*HEADER    TOXIN                                   16-JUL-19   6SAA              
*TITLE     M-TRTX-PREG1A (POECILOTHERIA REGALIS)                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: U1-THERAPHOTOXIN-PF3;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: POECILOTHERIA FORMOSA;                          
*SOURCE   4 ORGANISM_TAXID: 1971608                                              
*KEYWDS    SCREENING, MELANOCORTIN RECEPTOR, GPCR, ANIMAL TOXIN, TOXIN           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    H.MEUDAL,C.LANDON,A.F.DELMAS                                          
*REVDAT   1   22-JUL-20 6SAA    0                                                
# Restraints file 1: 11_2.tbl
 assi 
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 23   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 28   and name  OT1 ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 21   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 27   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 7    and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 21   and name  O   ))
   (( segid "   A" and resid 28   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 7    and name  O   ))
   (( segid "   A" and resid 27   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 27   and name  O   ))
   (( segid "   A" and resid 7    and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 23   and name  O   ))
   (( segid "   A" and resid 26   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 28   and name  OT1 ))
   (( segid "   A" and resid 21   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 9    and name  HN  ))
   (( segid "   A" and resid 25   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 25   and name  O   ))
   (( segid "   A" and resid 9    and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 26   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 26   and name  O   ))
   (( segid "   A" and resid 23   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 9    and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 9    and name  O   ))
   (( segid "   A" and resid 25   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 3    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  O   ))
   (( segid "   A" and resid 3    and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 3    and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 3    and name  O   ))
   (( segid "   A" and resid 19   and name  N   ))
      3.200     0.684     0.727

# Restraints file 2: 1_1.tbl
 ASSIGN  (segid "   A" and resid 2    and name C   ) (segid "   A" and resid 3    and name N   )
         (segid "   A" and resid 3    and name CA  ) (segid "   A" and resid 3    and name C   )  1.00 -87.64 52.36 2

 ASSIGN  (segid "   A" and resid 3    and name N   ) (segid "   A" and resid 3    and name CA  )
         (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )  1.00 129.41 39.41 2

 ASSIGN  (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )
         (segid "   A" and resid 4    and name CA  ) (segid "   A" and resid 4    and name C   )  1.00 -68.25 41.75 2

 ASSIGN  (segid "   A" and resid 4    and name N   ) (segid "   A" and resid 4    and name CA  )
         (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )  1.00 145.88 35.88 2

 ASSIGN  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
         (segid "   A" and resid 5    and name CA  ) (segid "   A" and resid 5    and name C   )  1.00 -55.62 34.38 2

 ASSIGN  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
         (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )  1.00 135.21 25.21 2

 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -71.34 28.66 2

 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )  1.00 144.95 24.95 2

 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -88.11 71.89 2

 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
         (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )  1.00 133.96 43.96 2

 ASSIGN  (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )
         (segid "   A" and resid 9    and name CA  ) (segid "   A" and resid 9    and name C   )  1.00 -128.76 51.24 2

 ASSIGN  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA  )
         (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )  1.00 149.33 49.33 2

 ASSIGN  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
         (segid "   A" and resid 11   and name CA  ) (segid "   A" and resid 11   and name C   )  1.00 -68.46 31.54 2

 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00 145.04 45.04 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -61.29 28.71 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00 142.20 22.20 2

 ASSIGN  (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )
         (segid "   A" and resid 13   and name CA  ) (segid "   A" and resid 13   and name C   )  1.00 -83.78 66.22 2

 ASSIGN  (segid "   A" and resid 13   and name N   ) (segid "   A" and resid 13   and name CA  )
         (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )  1.00 129.30 39.30 2

 ASSIGN  (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )
         (segid "   A" and resid 15   and name CA  ) (segid "   A" and resid 15   and name C   )  1.00 -65.00 25.00 2

 ASSIGN  (segid "   A" and resid 15   and name N   ) (segid "   A" and resid 15   and name CA  )
         (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )  1.00 144.99 24.99 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -121.88 48.12 2

 ASSIGN  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00 149.77 49.77 2

 ASSIGN  (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )
         (segid "   A" and resid 17   and name CA  ) (segid "   A" and resid 17   and name C   )  1.00 -68.26 31.74 2

 ASSIGN  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )
         (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )  1.00 147.08 27.08 2

 ASSIGN  (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )
         (segid "   A" and resid 18   and name CA  ) (segid "   A" and resid 18   and name C   )  1.00 -123.10 36.90 2

 ASSIGN  (segid "   A" and resid 18   and name N   ) (segid "   A" and resid 18   and name CA  )
         (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )  1.00 140.15 40.15 2

 ASSIGN  (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )
         (segid "   A" and resid 19   and name CA  ) (segid "   A" and resid 19   and name C   )  1.00 -122.32 37.68 2

 ASSIGN  (segid "   A" and resid 19   and name N   ) (segid "   A" and resid 19   and name CA  )
         (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )  1.00 131.49 41.49 2

 ASSIGN  (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )
         (segid "   A" and resid 20   and name CA  ) (segid "   A" and resid 20   and name C   )  1.00 -130.72 49.28 2

 ASSIGN  (segid "   A" and resid 20   and name N   ) (segid "   A" and resid 20   and name CA  )
         (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )  1.00 139.54 39.54 2

 ASSIGN  (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )
         (segid "   A" and resid 21   and name CA  ) (segid "   A" and resid 21   and name C   )  1.00 -116.12 33.88 2

 ASSIGN  (segid "   A" and resid 21   and name N   ) (segid "   A" and resid 21   and name CA  )
         (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )  1.00 133.20 33.20 2

 ASSIGN  (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )
         (segid "   A" and resid 22   and name CA  ) (segid "   A" and resid 22   and name C   )  1.00 -111.04 38.96 2

 ASSIGN  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )
         (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )  1.00 125.04 25.04 2

 ASSIGN  (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )
         (segid "   A" and resid 23   and name CA  ) (segid "   A" and resid 23   and name C   )  1.00 -96.33 83.67 2

 ASSIGN  (segid "   A" and resid 23   and name N   ) (segid "   A" and resid 23   and name CA  )
         (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )  1.00 120.12 60.12 2

 ASSIGN  (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )
         (segid "   A" and resid 26   and name CA  ) (segid "   A" and resid 26   and name C   )  1.00 -117.59 62.41 2

 ASSIGN  (segid "   A" and resid 26   and name N   ) (segid "   A" and resid 26   and name CA  )
         (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )  1.00 152.17 42.17 2

# Restraints file 3: ambig.tbl
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB2) 2.848 1.014 1.014 weight 1.000 ! spec=Noesy15deg, no=3, id=2, vol=9.655002e+05
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB1)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   21 and name   HB) 2.869 1.029 1.029 weight 1.000 ! spec=Noesy15deg, no=39, id=38, vol=1.121856e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB2) 2.702 0.913 0.913 weight 1.000 ! spec=Noesy15deg, no=41, id=40, vol=1.393890e+06
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB1)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HD1) 3.480 1.513 1.513 weight 1.000 ! spec=Noesy15deg, no=56, id=54, vol=2.776118e+05
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HD2)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB1) 2.635 0.868 0.868 weight 1.000 ! spec=Noesy15deg, no=73, id=71, vol=1.336418e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    3 and name  HB1)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB2) 2.840 1.008 1.008 weight 1.000 ! spec=Noesy15deg, no=76, id=74, vol=8.847802e+05
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB1)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB1) 3.087 1.191 1.191 weight 1.000 ! spec=Noesy15deg, no=83, id=81, vol=6.449252e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB2)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   25 and name  HB1) 3.454 1.492 1.492 weight 1.000 ! spec=Noesy15deg, no=88, id=86, vol=3.249252e+05
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   25 and name  HB2)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    7 and name  HB2) 3.488 1.521 1.521 weight 1.000 ! spec=Noesy15deg, no=92, id=90, vol=2.487905e+05
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    7 and name  HB3)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    3 and name   HG)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HG1) 2.549 0.812 0.812 weight 1.000 ! spec=Noesy15deg, no=94, id=92, vol=1.906817e+06
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HG2)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HD11) 2.807 0.985 0.985 weight 1.000 ! spec=Noesy15deg, no=116, id=114, vol=1.125456e+06
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HD12)
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   16 and name HG23)
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   16 and name HG22)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HD1) 3.510 1.540 1.540 weight 1.000 ! spec=Noesy15deg, no=163, id=161, vol=3.041198e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HB1) 2.889 1.043 1.043 weight 1.000 ! spec=Noesy15deg, no=167, id=165, vol=8.512012e+05
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HB2)
assign (segid "   A" and resid    1 and name   HE) (segid "   A" and resid    1 and name  HD1) 2.900 1.051 1.051 weight 1.000 ! spec=Noesy15deg, no=171, id=169, vol=7.935800e+05
    or (segid "   A" and resid    1 and name   HE) (segid "   A" and resid    1 and name  HD2)
assign (segid "   A" and resid   25 and name   HE) (segid "   A" and resid   25 and name  HD2) 2.785 0.970 0.970 weight 1.000 ! spec=Noesy15deg, no=172, id=170, vol=1.001145e+06
    or (segid "   A" and resid   25 and name   HE) (segid "   A" and resid   25 and name  HD1)
assign (segid "   A" and resid   24 and name   HE) (segid "   A" and resid   24 and name  HD1) 2.563 0.821 0.821 weight 1.000 ! spec=Noesy15deg, no=173, id=171, vol=1.481887e+06
    or (segid "   A" and resid   24 and name   HE) (segid "   A" and resid   24 and name  HD2)
assign (segid "   A" and resid   24 and name   HE) (segid "   A" and resid   24 and name  HB2) 3.506 1.536 1.536 weight 1.000 ! spec=Noesy15deg, no=177, id=175, vol=2.562355e+05
    or (segid "   A" and resid   24 and name   HE) (segid "   A" and resid   24 and name  HB1)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    3 and name  HB2) 3.051 1.164 1.164 weight 1.000 ! spec=Noesy15deg, no=184, id=182, vol=5.524822e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name  HB3)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name  HB1)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name  HB2)
assign (segid "   A" and resid    1 and name   HE) (segid "   A" and resid    1 and name  HG2) 3.620 1.638 1.638 weight 1.000 ! spec=Noesy15deg, no=187, id=185, vol=2.066192e+05
    or (segid "   A" and resid    1 and name   HE) (segid "   A" and resid    1 and name  HG1)
assign (segid "   A" and resid   25 and name   HE) (segid "   A" and resid   25 and name  HG1) 3.317 1.375 1.375 weight 1.000 ! spec=Noesy15deg, no=188, id=186, vol=3.700952e+05
    or (segid "   A" and resid   25 and name   HE) (segid "   A" and resid   25 and name  HG2)
assign (segid "   A" and resid   24 and name   HE) (segid "   A" and resid   24 and name  HG2) 3.718 1.728 1.728 weight 1.000 ! spec=Noesy15deg, no=189, id=187, vol=1.763478e+05
    or (segid "   A" and resid   24 and name   HE) (segid "   A" and resid   24 and name  HG1)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB2) 2.276 0.647 0.647 weight 1.000 ! spec=Noesy15deg, no=195, id=193, vol=3.439428e+06
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB1) 3.106 1.206 1.206 weight 1.000 ! spec=Noesy15deg, no=198, id=196, vol=5.928418e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB2)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    7 and name  HB2) 3.867 1.870 1.870 weight 1.000 ! spec=Noesy15deg, no=201, id=199, vol=1.135430e+05
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    7 and name  HB3)
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name  HB1)
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name  HB3)
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name  HG2) 3.085 1.190 1.190 weight 1.000 ! spec=Noesy15deg, no=204, id=202, vol=5.950895e+05
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name  HG1)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HD11) 3.189 1.271 1.271 weight 1.000 ! spec=Noesy15deg, no=220, id=218, vol=5.288892e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HD12)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HD13)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG23)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG22)
assign (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   22 and name   HA) 4.089 2.090 2.090 weight 1.000 ! spec=Noesy15deg, no=235, id=233, vol=1.331208e+05
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name   HA) 2.507 0.786 0.786 weight 1.000 ! spec=Noesy15deg, no=242, id=240, vol=1.998168e+06
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name   HA)
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   11 and name  HA2) 3.050 1.163 1.163 weight 1.000 ! spec=Noesy15deg, no=243, id=241, vol=7.067965e+05
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   11 and name  HA2)
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   17 and name   HA) 3.468 1.504 1.504 weight 1.000 ! spec=Noesy15deg, no=248, id=246, vol=2.471970e+05
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name  HA2)
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name   HA) 2.548 0.811 0.811 weight 1.000 ! spec=Noesy15deg, no=283, id=281, vol=1.801728e+06
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   12 and name  HG2) (segid "   A" and resid   12 and name   HA) 3.155 1.244 1.244 weight 1.000 ! spec=Noesy15deg, no=286, id=284, vol=4.811438e+05
    or (segid "   A" and resid   12 and name  HG1) (segid "   A" and resid   12 and name   HA)
assign (segid "   A" and resid    5 and name  HB3) (segid "   A" and resid    4 and name   HA) 3.217 1.294 1.294 weight 1.000 ! spec=Noesy15deg, no=309, id=307, vol=4.993580e+05
    or (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    4 and name   HA)
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    4 and name   HA)
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    4 and name   HA)
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   15 and name   HA) 2.752 0.947 0.947 weight 1.000 ! spec=Noesy15deg, no=327, id=325, vol=1.218066e+06
    or (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name   HA)
assign (segid "   A" and resid   15 and name  HD1) (segid "   A" and resid   15 and name   HA) 3.257 1.326 1.326 weight 1.000 ! spec=Noesy15deg, no=328, id=326, vol=4.580545e+05
    or (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   15 and name   HA)
assign (segid "   A" and resid    1 and name  HG1) (segid "   A" and resid    1 and name   HA) 3.232 1.305 1.305 weight 1.000 ! spec=Noesy15deg, no=329, id=327, vol=4.380992e+05
    or (segid "   A" and resid    1 and name  HG2) (segid "   A" and resid    1 and name   HA)
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name  HD2) 3.456 1.493 1.493 weight 1.000 ! spec=Noesy15deg, no=357, id=355, vol=2.990615e+05
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HD2)
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name   HA) 2.744 0.942 0.942 weight 1.000 ! spec=Noesy15deg, no=358, id=356, vol=1.305726e+06
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   12 and name  HG1) (segid "   A" and resid   12 and name  HD2) 2.756 0.950 0.950 weight 1.000 ! spec=Noesy15deg, no=360, id=358, vol=1.156339e+06
    or (segid "   A" and resid   12 and name  HG2) (segid "   A" and resid   12 and name  HD2)
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name   HA) 2.547 0.811 0.811 weight 1.000 ! spec=Noesy15deg, no=363, id=361, vol=2.018929e+06
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   12 and name  HG1) (segid "   A" and resid   12 and name  HD1) 2.678 0.897 0.897 weight 1.000 ! spec=Noesy15deg, no=366, id=364, vol=1.399772e+06
    or (segid "   A" and resid   12 and name  HG2) (segid "   A" and resid   12 and name  HD1)
assign (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   25 and name   HA) 2.580 0.832 0.832 weight 1.000 ! spec=Noesy15deg, no=368, id=366, vol=1.710123e+06
    or (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    5 and name   HA) 3.473 1.508 1.508 weight 1.000 ! spec=Noesy15deg, no=369, id=367, vol=3.417435e+05
    or (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    5 and name   HA)
    or (segid "   A" and resid    7 and name  HB3) (segid "   A" and resid    5 and name   HA)
    or (segid "   A" and resid   16 and name HG12) (segid "   A" and resid   17 and name  HD1)
assign (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    1 and name  HD1) 3.292 1.354 1.354 weight 1.000 ! spec=Noesy15deg, no=384, id=382, vol=6.279008e+05
    or (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    1 and name  HD2)
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name  HD1) 2.644 0.874 0.874 weight 1.000 ! spec=Noesy15deg, no=385, id=383, vol=1.609792e+06
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name  HD2)
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name  HD1)
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name  HD2)
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   26 and name  HE1) 3.327 1.383 1.383 weight 1.000 ! spec=Noesy15deg, no=387, id=385, vol=3.691960e+05
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   26 and name  HE2)
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   26 and name  HE1)
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   26 and name  HE2)
assign (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   26 and name  HE2) 3.246 1.317 1.317 weight 1.000 ! spec=Noesy15deg, no=389, id=387, vol=4.338080e+05
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   26 and name  HE1)
assign (segid "   A" and resid   15 and name  HD1) (segid "   A" and resid   15 and name  HE1) 2.776 0.963 0.963 weight 1.000 ! spec=Noesy15deg, no=390, id=388, vol=1.051630e+06
    or (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   15 and name  HE2)
    or (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   15 and name  HE1)
    or (segid "   A" and resid   15 and name  HD1) (segid "   A" and resid   15 and name  HE2)
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   26 and name  HE1) 2.749 0.945 0.945 weight 1.000 ! spec=Noesy15deg, no=391, id=389, vol=1.148891e+06
    or (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   26 and name  HE2)
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   24 and name  HD1) 2.485 0.772 0.772 weight 1.000 ! spec=Noesy15deg, no=392, id=390, vol=2.113187e+06
    or (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   24 and name  HD2)
assign (segid "   A" and resid   24 and name  HG1) (segid "   A" and resid   24 and name  HD2) 2.657 0.882 0.882 weight 1.000 ! spec=Noesy15deg, no=393, id=391, vol=1.717071e+06
    or (segid "   A" and resid   24 and name  HG2) (segid "   A" and resid   24 and name  HD1)
    or (segid "   A" and resid   24 and name  HG2) (segid "   A" and resid   24 and name  HD2)
    or (segid "   A" and resid   24 and name  HG1) (segid "   A" and resid   24 and name  HD1)
assign (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   25 and name  HD1) 2.452 0.752 0.752 weight 1.000 ! spec=Noesy15deg, no=394, id=392, vol=2.428906e+06
    or (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   25 and name  HD2)
    or (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   25 and name  HD1)
    or (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid   16 and name HD11) (segid "   A" and resid    1 and name  HD2) 4.143 2.146 2.146 weight 1.000 ! spec=Noesy15deg, no=399, id=397, vol=9.879875e+04
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid    1 and name  HD2)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid    1 and name  HD2)
    or (segid "   A" and resid   16 and name HD11) (segid "   A" and resid    1 and name  HD1)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid    1 and name  HD1)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid    1 and name  HD1)
    or (segid "   A" and resid    3 and name HD23) (segid "   A" and resid    9 and name  HB1)
    or (segid "   A" and resid    3 and name HD21) (segid "   A" and resid    9 and name  HB1)
    or (segid "   A" and resid    3 and name HD22) (segid "   A" and resid    9 and name  HB1)
    or (segid "   A" and resid    3 and name HD23) (segid "   A" and resid    1 and name  HD1)
    or (segid "   A" and resid    3 and name HD21) (segid "   A" and resid    1 and name  HD1)
    or (segid "   A" and resid    3 and name HD22) (segid "   A" and resid    1 and name  HD1)
assign (segid "   A" and resid   12 and name  HG1) (segid "   A" and resid   12 and name  HB2) 2.699 0.911 0.911 weight 1.000 ! spec=Noesy15deg, no=407, id=405, vol=1.150872e+06
    or (segid "   A" and resid   12 and name  HG2) (segid "   A" and resid   12 and name  HB2)
assign (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   17 and name  HB1) 1.855 0.430 0.430 weight 1.000 ! spec=Noesy15deg, no=409, id=407, vol=1.247563e+07
    or (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   17 and name  HB2)
assign (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   17 and name  HB2) 2.688 0.903 0.903 weight 1.000 ! spec=Noesy15deg, no=412, id=410, vol=1.270394e+06
    or (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   17 and name  HB1)
assign (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   25 and name  HB2) 2.438 0.743 0.743 weight 1.000 ! spec=Noesy15deg, no=416, id=414, vol=2.383921e+06
    or (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   25 and name  HB1)
    or (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   25 and name  HB2)
    or (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   24 and name  HB2) 3.209 1.287 1.287 weight 1.000 ! spec=Noesy15deg, no=421, id=419, vol=4.631018e+05
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   24 and name  HB1)
assign (segid "   A" and resid    1 and name  HG2) (segid "   A" and resid    1 and name  HB2) 2.099 0.551 0.551 weight 1.000 ! spec=Noesy15deg, no=422, id=420, vol=6.095229e+06
    or (segid "   A" and resid    1 and name  HG1) (segid "   A" and resid    1 and name  HB2)
assign (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   15 and name  HB1) 2.864 1.026 1.026 weight 1.000 ! spec=Noesy15deg, no=423, id=421, vol=9.577528e+05
    or (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   15 and name  HB2)
assign (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name  HB2) 2.744 0.941 0.941 weight 1.000 ! spec=Noesy15deg, no=425, id=423, vol=1.205858e+06
    or (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   15 and name  HD2) 1.939 0.470 0.470 weight 1.000 ! spec=Noesy15deg, no=429, id=427, vol=9.419032e+06
    or (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   15 and name  HD1)
assign (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name  HD1) 2.170 0.589 0.589 weight 1.000 ! spec=Noesy15deg, no=430, id=428, vol=4.746164e+06
    or (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name  HD2)
assign (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   13 and name   HB) 1.993 0.497 0.497 weight 1.000 ! spec=Noesy15deg, no=431, id=429, vol=6.072603e+06
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   13 and name   HB)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   13 and name   HB)
    or (segid "   A" and resid   13 and name HD11) (segid "   A" and resid   13 and name   HB)
    or (segid "   A" and resid   13 and name HD13) (segid "   A" and resid   13 and name   HB)
    or (segid "   A" and resid   13 and name HD12) (segid "   A" and resid   13 and name   HB)
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid    1 and name  HG1) 2.877 1.035 1.035 weight 1.000 ! spec=Noesy15deg, no=440, id=438, vol=8.981595e+05
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid    1 and name  HG1)
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid    1 and name  HG1)
    or (segid "   A" and resid   16 and name HG23) (segid "   A" and resid    1 and name  HG2)
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid    1 and name  HG2)
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid    1 and name  HG2)
assign (segid "   A" and resid   16 and name HD11) (segid "   A" and resid    1 and name  HG2) 3.499 1.531 1.531 weight 1.000 ! spec=Noesy15deg, no=441, id=439, vol=2.192055e+05
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid    1 and name  HG2)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid    1 and name  HG2)
    or (segid "   A" and resid   16 and name HD11) (segid "   A" and resid    1 and name  HG1)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid    1 and name  HG1)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid    1 and name  HG1)
assign (segid "   A" and resid    3 and name HD11) (segid "   A" and resid    7 and name  HB2) 1.898 0.450 0.450 weight 1.000 ! spec=Noesy15deg, no=442, id=440, vol=1.019265e+07
    or (segid "   A" and resid    3 and name HD11) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid    3 and name HD11) (segid "   A" and resid    7 and name  HB3)
    or (segid "   A" and resid    3 and name HD13) (segid "   A" and resid    7 and name  HB2)
    or (segid "   A" and resid    3 and name HD13) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid    3 and name HD13) (segid "   A" and resid    7 and name  HB3)
    or (segid "   A" and resid    3 and name HD12) (segid "   A" and resid    7 and name  HB2)
    or (segid "   A" and resid    3 and name HD12) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid    3 and name HD12) (segid "   A" and resid    7 and name  HB3)
    or (segid "   A" and resid    3 and name HD11) (segid "   A" and resid    3 and name   HG)
    or (segid "   A" and resid    3 and name HD13) (segid "   A" and resid    3 and name   HG)
    or (segid "   A" and resid    3 and name HD12) (segid "   A" and resid    3 and name   HG)
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   10 and name   HA) 5.496 3.776 3.776 weight 1.000 ! spec=Noesy15deg, no=454, id=452, vol=5.688475e+04
    or (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   28 and name   HB)
assign (segid "   A" and resid    6 and name  HA1) (segid "   A" and resid    7 and name   HA) 3.991 1.991 1.991 weight 1.000 ! spec=Noesy15deg, no=456, id=454, vol=1.673812e+05
    or (segid "   A" and resid    6 and name  HA1) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name  HD1) 2.821 0.995 0.995 weight 1.000 ! spec=Noesy15deg, no=458, id=456, vol=1.058894e+06
    or (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name  HD2)
    or (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name  HD1)
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name   HN) 3.221 1.297 1.297 weight 1.000 ! spec=Noesy15deg, no=475, id=473, vol=3.920990e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    8 and name   HN)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name   HN) 3.482 1.515 1.515 weight 1.000 ! spec=Noesy15deg, no=487, id=485, vol=4.348565e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HN)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB2) 2.896 1.048 1.048 weight 1.000 ! spec=Noesy15deg, no=491, id=489, vol=8.079555e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HD2) 3.769 1.775 1.775 weight 1.000 ! spec=Noesy15deg, no=492, id=490, vol=1.538198e+05
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HD1)
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   24 and name   HA) 3.322 1.380 1.380 weight 1.000 ! spec=Noesy15deg, no=498, id=496, vol=3.426130e+05
    or (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   13 and name HG11) (segid "   A" and resid   15 and name  HB1) 3.260 1.328 1.328 weight 1.000 ! spec=Noesy15deg, no=500, id=498, vol=3.909165e+05
    or (segid "   A" and resid   13 and name HG11) (segid "   A" and resid   15 and name  HB2)
assign (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   10 and name  HB1) 3.702 1.713 1.713 weight 1.000 ! spec=Noesy15deg, no=501, id=499, vol=1.971968e+05
    or (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   10 and name  HB2)
    or (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   10 and name  HB1)
    or (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid    9 and name  HB2) 3.932 1.932 1.932 weight 1.000 ! spec=Noesy15deg, no=506, id=504, vol=1.336118e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid    9 and name  HB1)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   27 and name  HB2) 3.504 1.535 1.535 weight 1.000 ! spec=Noesy15deg, no=511, id=508, vol=2.852378e+05
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HG2) 2.412 0.728 0.728 weight 1.000 ! spec=Noesy15deg, no=516, id=513, vol=2.487663e+06
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HG1)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   25 and name  HB2) 3.968 1.968 1.968 weight 1.000 ! spec=Noesy15deg, no=517, id=514, vol=1.102860e+05
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HG1) 2.988 1.116 1.116 weight 1.000 ! spec=Noesy15deg, no=519, id=516, vol=6.825080e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB2)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG23) 2.796 0.978 0.978 weight 1.000 ! spec=Noesy15deg, no=520, id=517, vol=1.025192e+06
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG23)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG22)
assign (segid "   A" and resid   25 and name   HE) (segid "   A" and resid   25 and name  HB2) 3.760 1.767 1.767 weight 1.000 ! spec=Noesy15deg, no=524, id=521, vol=1.653328e+05
    or (segid "   A" and resid   25 and name   HE) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   27 and name   HA) 3.916 1.917 1.917 weight 1.000 ! spec=Noesy15deg, no=525, id=522, vol=1.194358e+05
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   27 and name   HA)
assign (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid    6 and name  HA1) 4.002 2.002 2.002 weight 1.000 ! spec=Noesy15deg, no=528, id=525, vol=1.584672e+05
    or (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid    6 and name  HA1)
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid   25 and name  HG2) 2.439 0.744 0.744 weight 1.000 ! spec=Noesy15deg, no=530, id=527, vol=1.819503e+06
    or (segid "   A" and resid    8 and name  HB3) (segid "   A" and resid   25 and name  HG2)
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   25 and name  HG2)
    or (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid   25 and name  HG1)
    or (segid "   A" and resid    8 and name  HB3) (segid "   A" and resid   25 and name  HG1)
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   25 and name  HG1)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid    3 and name  HB2) 3.217 1.293 1.293 weight 1.000 ! spec=Noesy15deg, no=535, id=531, vol=4.241738e+05
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid    5 and name  HB3)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid    5 and name  HB1)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid    5 and name  HB2)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   18 and name  HB1) 3.454 1.492 1.492 weight 1.000 ! spec=Noesy15deg, no=550, id=544, vol=3.682460e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB1)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    9 and name  HB1) 3.101 1.202 1.202 weight 1.000 ! spec=Noesy15deg, no=564, id=555, vol=5.480820e+05
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    9 and name  HB2)
assign (segid "   A" and resid   24 and name  HG2) (segid "   A" and resid   24 and name   HA) 2.648 0.876 0.876 weight 1.000 ! spec=Noesy15deg, no=597, id=583, vol=1.518505e+06
    or (segid "   A" and resid   24 and name  HG1) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HD1) 2.507 0.785 0.785 weight 1.000 ! spec=Noesy15deg, no=614, id=591, vol=1.995498e+06
    or (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name  HD1)
# Restraints file 4: unambig.tbl
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB2) 2.556 0.817 0.817 weight 1.000 ! spec=Noesy15deg, no=1, id=0, vol=2.007952e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB1) 2.883 1.039 1.039 weight 1.000 ! spec=Noesy15deg, no=2, id=1, vol=9.481370e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    3 and name   HN) 2.266 0.642 0.642 weight 1.000 ! spec=Noesy15deg, no=4, id=3, vol=3.306880e+06
assign (segid "   A" and resid   14 and name HE22) (segid "   A" and resid   14 and name HE21) 1.571 0.308 0.308 weight 1.000 ! spec=Noesy15deg, no=6, id=5, vol=2.757173e+07
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    2 and name   HA) 3.251 1.321 1.321 weight 1.000 ! spec=Noesy15deg, no=7, id=6, vol=3.606805e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name   HA) 2.517 0.792 0.792 weight 1.000 ! spec=Noesy15deg, no=8, id=7, vol=1.758686e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name   HA) 2.191 0.600 0.600 weight 1.000 ! spec=Noesy15deg, no=9, id=8, vol=5.536850e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   27 and name   HA) 2.935 1.077 1.077 weight 1.000 ! spec=Noesy15deg, no=10, id=9, vol=8.614592e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HA) 1.861 0.433 0.433 weight 1.000 ! spec=Noesy15deg, no=11, id=10, vol=1.100182e+07
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name   HA) 2.097 0.550 0.550 weight 1.000 ! spec=Noesy15deg, no=12, id=11, vol=5.917132e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   22 and name   HA) 3.251 1.321 1.321 weight 1.000 ! spec=Noesy15deg, no=13, id=12, vol=5.111462e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   22 and name   HA) 3.561 1.585 1.585 weight 1.000 ! spec=Noesy15deg, no=14, id=13, vol=2.215142e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HA) 2.052 0.526 0.526 weight 1.000 ! spec=Noesy15deg, no=15, id=14, vol=7.469337e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name   HA) 2.816 0.991 0.991 weight 1.000 ! spec=Noesy15deg, no=16, id=15, vol=1.062165e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HA) 1.977 0.489 0.489 weight 1.000 ! spec=Noesy15deg, no=17, id=16, vol=7.279858e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name   HA) 1.932 0.467 0.467 weight 1.000 ! spec=Noesy15deg, no=18, id=17, vol=9.449924e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   18 and name   HA) 2.354 0.692 0.692 weight 1.000 ! spec=Noesy15deg, no=19, id=18, vol=3.044633e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid    8 and name   HA) 2.890 1.044 1.044 weight 1.000 ! spec=Noesy15deg, no=20, id=19, vol=7.788378e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name   HA) 2.562 0.820 0.820 weight 1.000 ! spec=Noesy15deg, no=21, id=20, vol=1.745799e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HA) 2.579 0.832 0.832 weight 1.000 ! spec=Noesy15deg, no=22, id=21, vol=1.530424e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HA) 1.927 0.464 0.464 weight 1.000 ! spec=Noesy15deg, no=23, id=22, vol=8.772844e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HA) 1.917 0.459 0.459 weight 1.000 ! spec=Noesy15deg, no=24, id=23, vol=9.668704e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name   HA) 2.829 1.000 1.000 weight 1.000 ! spec=Noesy15deg, no=25, id=24, vol=9.335618e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HA) 2.174 0.591 0.591 weight 1.000 ! spec=Noesy15deg, no=26, id=25, vol=5.010729e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name   HA) 2.430 0.738 0.738 weight 1.000 ! spec=Noesy15deg, no=27, id=26, vol=2.638030e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HA2) 2.590 0.839 0.839 weight 1.000 ! spec=Noesy15deg, no=28, id=27, vol=1.647408e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name   HB) 3.030 1.147 1.147 weight 1.000 ! spec=Noesy15deg, no=29, id=28, vol=7.310918e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name   HA) 2.847 1.013 1.013 weight 1.000 ! spec=Noesy15deg, no=30, id=29, vol=1.140896e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name   HA) 3.144 1.236 1.236 weight 1.000 ! spec=Noesy15deg, no=31, id=30, vol=5.727940e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name   HA) 2.428 0.737 0.737 weight 1.000 ! spec=Noesy15deg, no=32, id=31, vol=2.111911e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid    7 and name   HA) 3.330 1.386 1.386 weight 1.000 ! spec=Noesy15deg, no=33, id=32, vol=3.001932e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name   HA) 2.529 0.799 0.799 weight 1.000 ! spec=Noesy15deg, no=34, id=33, vol=2.136724e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HA1) 2.879 1.036 1.036 weight 1.000 ! spec=Noesy15deg, no=35, id=34, vol=1.180598e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   28 and name   HA) 3.125 1.221 1.221 weight 1.000 ! spec=Noesy15deg, no=36, id=35, vol=5.319270e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB2) 2.653 0.880 0.880 weight 1.000 ! spec=Noesy15deg, no=37, id=36, vol=1.315795e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name   HA) 1.954 0.477 0.477 weight 1.000 ! spec=Noesy15deg, no=38, id=37, vol=8.841413e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   27 and name  HB2) 3.243 1.315 1.315 weight 1.000 ! spec=Noesy15deg, no=40, id=39, vol=4.453728e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB2) 3.344 1.397 1.397 weight 1.000 ! spec=Noesy15deg, no=42, id=41, vol=3.482485e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid    5 and name   HA) 3.299 1.360 1.360 weight 1.000 ! spec=Noesy15deg, no=43, id=42, vol=3.311420e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid    5 and name   HA) 3.763 1.770 1.770 weight 1.000 ! spec=Noesy15deg, no=44, id=43, vol=1.599142e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HA) 1.951 0.476 0.476 weight 1.000 ! spec=Noesy15deg, no=45, id=44, vol=9.081796e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB2) 2.404 0.723 0.723 weight 1.000 ! spec=Noesy15deg, no=47, id=45, vol=2.636974e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB1) 2.643 0.873 0.873 weight 1.000 ! spec=Noesy15deg, no=48, id=46, vol=1.587566e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HA1) 2.449 0.750 0.750 weight 1.000 ! spec=Noesy15deg, no=49, id=47, vol=2.671263e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HA2) 2.222 0.617 0.617 weight 1.000 ! spec=Noesy15deg, no=50, id=48, vol=4.031294e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   20 and name  HA2) 3.373 1.423 1.423 weight 1.000 ! spec=Noesy15deg, no=51, id=49, vol=4.479390e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid    6 and name  HA1) 3.418 1.460 1.460 weight 1.000 ! spec=Noesy15deg, no=52, id=50, vol=3.010132e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB1) 3.173 1.258 1.258 weight 1.000 ! spec=Noesy15deg, no=53, id=51, vol=4.479965e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name  HA2) 3.657 1.672 1.672 weight 1.000 ! spec=Noesy15deg, no=54, id=52, vol=1.767548e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB2) 2.711 0.919 0.919 weight 1.000 ! spec=Noesy15deg, no=55, id=53, vol=1.082277e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid    9 and name  HB1) 3.373 1.422 1.422 weight 1.000 ! spec=Noesy15deg, no=57, id=55, vol=3.099522e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB2) 2.665 0.888 0.888 weight 1.000 ! spec=Noesy15deg, no=58, id=56, vol=1.302956e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB2) 2.268 0.643 0.643 weight 1.000 ! spec=Noesy15deg, no=59, id=57, vol=3.592170e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HB2) 2.445 0.747 0.747 weight 1.000 ! spec=Noesy15deg, no=60, id=58, vol=2.541622e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.139 1.232 1.232 weight 1.000 ! spec=Noesy15deg, no=61, id=59, vol=4.396490e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    2 and name  HB2) 2.592 0.840 0.840 weight 1.000 ! spec=Noesy15deg, no=62, id=60, vol=1.437346e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB1) 2.872 1.031 1.031 weight 1.000 ! spec=Noesy15deg, no=63, id=61, vol=8.521022e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB2) 2.510 0.788 0.788 weight 1.000 ! spec=Noesy15deg, no=64, id=62, vol=2.057113e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB2) 3.314 1.373 1.373 weight 1.000 ! spec=Noesy15deg, no=65, id=63, vol=4.185572e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB2) 2.536 0.804 0.804 weight 1.000 ! spec=Noesy15deg, no=66, id=64, vol=2.050542e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB1) 2.457 0.755 0.755 weight 1.000 ! spec=Noesy15deg, no=67, id=65, vol=2.486292e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB1) 3.629 1.646 1.646 weight 1.000 ! spec=Noesy15deg, no=68, id=66, vol=2.476938e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB1) 2.332 0.680 0.680 weight 1.000 ! spec=Noesy15deg, no=69, id=67, vol=2.772512e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB1) 2.174 0.591 0.591 weight 1.000 ! spec=Noesy15deg, no=70, id=68, vol=4.440738e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB1) 3.297 1.359 1.359 weight 1.000 ! spec=Noesy15deg, no=71, id=69, vol=4.537238e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   27 and name  HB1) 2.768 0.958 0.958 weight 1.000 ! spec=Noesy15deg, no=72, id=70, vol=1.150725e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   18 and name  HB1) 4.225 2.231 2.231 weight 1.000 ! spec=Noesy15deg, no=74, id=72, vol=1.589808e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB1) 2.395 0.717 0.717 weight 1.000 ! spec=Noesy15deg, no=75, id=73, vol=2.803284e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB1) 2.203 0.607 0.607 weight 1.000 ! spec=Noesy15deg, no=77, id=75, vol=4.154224e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB1) 3.058 1.169 1.169 weight 1.000 ! spec=Noesy15deg, no=78, id=76, vol=5.949652e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   14 and name  HG1) 3.803 1.808 1.808 weight 1.000 ! spec=Noesy15deg, no=79, id=77, vol=1.522115e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   14 and name  HG2) 3.747 1.755 1.755 weight 1.000 ! spec=Noesy15deg, no=80, id=78, vol=1.719018e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HG2) 3.472 1.507 1.507 weight 1.000 ! spec=Noesy15deg, no=81, id=79, vol=2.600058e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HG1) 3.265 1.332 1.332 weight 1.000 ! spec=Noesy15deg, no=82, id=80, vol=3.726550e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   14 and name  HB1) 3.442 1.481 1.481 weight 1.000 ! spec=Noesy15deg, no=84, id=82, vol=3.012095e+05
assign (segid "   A" and resid   14 and name HE22) (segid "   A" and resid   14 and name  HG2) 2.580 0.832 0.832 weight 1.000 ! spec=Noesy15deg, no=85, id=83, vol=1.446789e+06
assign (segid "   A" and resid   14 and name HE22) (segid "   A" and resid   14 and name  HG1) 2.422 0.734 0.734 weight 1.000 ! spec=Noesy15deg, no=86, id=84, vol=2.135118e+06
assign (segid "   A" and resid   14 and name HE22) (segid "   A" and resid   14 and name  HB1) 3.310 1.369 1.369 weight 1.000 ! spec=Noesy15deg, no=87, id=85, vol=3.281012e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB1) 2.654 0.880 0.880 weight 1.000 ! spec=Noesy15deg, no=89, id=87, vol=1.465954e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   14 and name  HG2) 3.496 1.528 1.528 weight 1.000 ! spec=Noesy15deg, no=90, id=88, vol=3.601270e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   17 and name  HG1) 3.957 1.957 1.957 weight 1.000 ! spec=Noesy15deg, no=91, id=89, vol=1.539845e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    3 and name  HB2) 3.397 1.442 1.442 weight 1.000 ! spec=Noesy15deg, no=93, id=91, vol=2.757968e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB1) 2.470 0.763 0.763 weight 1.000 ! spec=Noesy15deg, no=95, id=93, vol=2.049458e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name   HG) 2.260 0.638 0.638 weight 1.000 ! spec=Noesy15deg, no=96, id=94, vol=3.991194e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   26 and name  HB2) 3.847 1.850 1.850 weight 1.000 ! spec=Noesy15deg, no=97, id=95, vol=1.606348e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   26 and name  HB1) 3.229 1.303 1.303 weight 1.000 ! spec=Noesy15deg, no=98, id=96, vol=4.277922e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name  HB2) 3.316 1.374 1.374 weight 1.000 ! spec=Noesy15deg, no=99, id=97, vol=3.876155e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name  HB3)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   26 and name  HB2) 3.932 1.933 1.933 weight 1.000 ! spec=Noesy15deg, no=100, id=98, vol=1.578820e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   28 and name HG21) 2.790 0.973 0.973 weight 1.000 ! spec=Noesy15deg, no=101, id=99, vol=1.140802e+06
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   28 and name HG22)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   28 and name HG23)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    7 and name  HB2) 2.779 0.965 0.965 weight 1.000 ! spec=Noesy15deg, no=102, id=100, vol=1.044336e+06
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    7 and name  HB3)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB2) 2.641 0.872 0.872 weight 1.000 ! spec=Noesy15deg, no=103, id=101, vol=1.441036e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    3 and name HD11) 3.692 1.704 1.704 weight 1.000 ! spec=Noesy15deg, no=104, id=102, vol=1.718340e+05
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    3 and name HD23) 3.920 1.921 1.921 weight 1.000 ! spec=Noesy15deg, no=105, id=103, vol=1.043205e+05
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    3 and name HD21)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid    3 and name HD22)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   21 and name HG22) 3.953 1.954 1.954 weight 1.000 ! spec=Noesy15deg, no=106, id=104, vol=1.644218e+05
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   21 and name HG23)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid    3 and name HD11) 3.783 1.789 1.789 weight 1.000 ! spec=Noesy15deg, no=107, id=105, vol=1.401435e+05
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB2) 2.808 0.986 0.986 weight 1.000 ! spec=Noesy15deg, no=108, id=106, vol=1.072805e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB3) 2.510 0.787 0.787 weight 1.000 ! spec=Noesy15deg, no=109, id=107, vol=1.984948e+06
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB1)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB2)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HG21) 2.442 0.745 0.745 weight 1.000 ! spec=Noesy15deg, no=110, id=108, vol=2.834368e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HG22)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HG23)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name HG21) 3.725 1.735 1.735 weight 1.000 ! spec=Noesy15deg, no=111, id=109, vol=1.725865e+05
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name HG22)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name HG23)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   21 and name HG22) 3.786 1.792 1.792 weight 1.000 ! spec=Noesy15deg, no=112, id=110, vol=1.703552e+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   22 and name   HN) (segid "   A" and resid   21 and name HG22) 2.675 0.894 0.894 weight 1.000 ! spec=Noesy15deg, no=113, id=111, vol=1.461117e+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    3 and name   HN) (segid "   A" and resid    3 and name HD23) 2.929 1.073 1.073 weight 1.000 ! spec=Noesy15deg, no=114, id=112, vol=7.951920e+05
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HD21)
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HD22)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   16 and name HG23) 2.639 0.871 0.871 weight 1.000 ! spec=Noesy15deg, no=115, id=113, vol=1.600514e+06
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   16 and name HG22)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid    3 and name HD11) 3.332 1.388 1.388 weight 1.000 ! spec=Noesy15deg, no=117, id=115, vol=3.428205e+05
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HD11) 3.489 1.522 1.522 weight 1.000 ! spec=Noesy15deg, no=118, id=116, vol=2.654860e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HD23) 2.742 0.940 0.940 weight 1.000 ! spec=Noesy15deg, no=119, id=117, vol=1.090971e+06
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HD21)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HD22)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   27 and name   HA) 3.981 1.981 1.981 weight 1.000 ! spec=Noesy15deg, no=120, id=118, vol=1.618475e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid   26 and name   HA) 3.706 1.717 1.717 weight 1.000 ! spec=Noesy15deg, no=121, id=119, vol=1.744092e+05
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name   HA) 2.721 0.925 0.925 weight 1.000 ! spec=Noesy15deg, no=122, id=120, vol=1.211329e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name   HA) 3.221 1.297 1.297 weight 1.000 ! spec=Noesy15deg, no=123, id=121, vol=4.222850e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   26 and name   HA) 2.460 0.756 0.756 weight 1.000 ! spec=Noesy15deg, no=124, id=122, vol=2.330665e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name   HA) 2.845 1.012 1.012 weight 1.000 ! spec=Noesy15deg, no=125, id=123, vol=1.310973e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   22 and name   HA) 3.722 1.732 1.732 weight 1.000 ! spec=Noesy15deg, no=126, id=124, vol=2.237152e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name   HA) 3.349 1.402 1.402 weight 1.000 ! spec=Noesy15deg, no=127, id=125, vol=4.305910e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name   HA) 2.312 0.668 0.668 weight 1.000 ! spec=Noesy15deg, no=128, id=126, vol=2.896010e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HA) 1.850 0.428 0.428 weight 1.000 ! spec=Noesy15deg, no=129, id=127, vol=1.116724e+07
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HA) 1.995 0.497 0.497 weight 1.000 ! spec=Noesy15deg, no=130, id=128, vol=7.095230e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name   HA) 2.797 0.978 0.978 weight 1.000 ! spec=Noesy15deg, no=131, id=129, vol=1.291196e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HA1) 2.710 0.918 0.918 weight 1.000 ! spec=Noesy15deg, no=132, id=130, vol=1.537178e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HA2) 2.916 1.063 1.063 weight 1.000 ! spec=Noesy15deg, no=133, id=131, vol=1.327187e+06
assign (segid "   A" and resid   14 and name HE22) (segid "   A" and resid   14 and name   HA) 3.702 1.713 1.713 weight 1.000 ! spec=Noesy15deg, no=134, id=132, vol=1.734745e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HA) 1.884 0.444 0.444 weight 1.000 ! spec=Noesy15deg, no=135, id=133, vol=1.169753e+07
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HA) 2.881 1.038 1.038 weight 1.000 ! spec=Noesy15deg, no=136, id=134, vol=1.211577e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HA) 2.200 0.605 0.605 weight 1.000 ! spec=Noesy15deg, no=137, id=135, vol=4.334926e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name   HA) 2.863 1.024 1.024 weight 1.000 ! spec=Noesy15deg, no=138, id=136, vol=1.148951e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HA) 3.054 1.166 1.166 weight 1.000 ! spec=Noesy15deg, no=139, id=137, vol=8.466492e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HA) 3.257 1.326 1.326 weight 1.000 ! spec=Noesy15deg, no=140, id=138, vol=9.265228e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HA) 2.475 0.766 0.766 weight 1.000 ! spec=Noesy15deg, no=141, id=139, vol=2.004851e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HA2) 2.699 0.910 0.910 weight 1.000 ! spec=Noesy15deg, no=142, id=140, vol=1.184412e+06
assign (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    3 and name   HA) 3.271 1.338 1.338 weight 1.000 ! spec=Noesy15deg, no=143, id=141, vol=3.060238e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   26 and name   HA) 3.789 1.794 1.794 weight 1.000 ! spec=Noesy15deg, no=144, id=142, vol=1.410415e+05
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name   HA) 2.115 0.559 0.559 weight 1.000 ! spec=Noesy15deg, no=145, id=143, vol=5.464690e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name   HA) 2.483 0.771 0.771 weight 1.000 ! spec=Noesy15deg, no=146, id=144, vol=1.976978e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name   HA) 2.075 0.538 0.538 weight 1.000 ! spec=Noesy15deg, no=147, id=145, vol=6.736768e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HA) 2.232 0.623 0.623 weight 1.000 ! spec=Noesy15deg, no=148, id=146, vol=3.350395e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name   HB) 2.858 1.021 1.021 weight 1.000 ! spec=Noesy15deg, no=149, id=147, vol=1.077159e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HA1) 2.141 0.573 0.573 weight 1.000 ! spec=Noesy15deg, no=150, id=148, vol=4.263384e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   12 and name  HD2) 3.574 1.597 1.597 weight 1.000 ! spec=Noesy15deg, no=151, id=149, vol=2.413890e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   12 and name  HD1) 3.568 1.592 1.592 weight 1.000 ! spec=Noesy15deg, no=152, id=150, vol=2.171905e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name   HA) 2.813 0.989 0.989 weight 1.000 ! spec=Noesy15deg, no=153, id=151, vol=1.180873e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   24 and name   HA) 3.265 1.333 1.333 weight 1.000 ! spec=Noesy15deg, no=154, id=152, vol=4.739932e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HA) 3.011 1.134 1.134 weight 1.000 ! spec=Noesy15deg, no=155, id=153, vol=8.388055e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   27 and name  HB2) 2.999 1.124 1.124 weight 1.000 ! spec=Noesy15deg, no=156, id=154, vol=6.092675e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   23 and name  HB2) 3.962 1.963 1.963 weight 1.000 ! spec=Noesy15deg, no=157, id=155, vol=1.521252e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name   HA) 2.794 0.976 0.976 weight 1.000 ! spec=Noesy15deg, no=158, id=156, vol=9.341745e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HA1) 2.805 0.984 0.984 weight 1.000 ! spec=Noesy15deg, no=159, id=157, vol=9.436082e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HA2) 2.245 0.630 0.630 weight 1.000 ! spec=Noesy15deg, no=160, id=158, vol=4.709241e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid   20 and name  HA2) 3.930 1.931 1.931 weight 1.000 ! spec=Noesy15deg, no=161, id=159, vol=1.381720e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HB1) 2.181 0.594 0.594 weight 1.000 ! spec=Noesy15deg, no=162, id=160, vol=3.925363e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.228 1.303 1.303 weight 1.000 ! spec=Noesy15deg, no=164, id=162, vol=4.458090e+05
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB2) 3.490 1.522 1.522 weight 1.000 ! spec=Noesy15deg, no=165, id=163, vol=2.650122e+05
assign (segid "   A" and resid   14 and name HE22) (segid "   A" and resid    9 and name  HB1) 3.138 1.231 1.231 weight 1.000 ! spec=Noesy15deg, no=166, id=164, vol=4.409030e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   23 and name  HB1) 4.246 2.253 2.253 weight 1.000 ! spec=Noesy15deg, no=168, id=166, vol=1.029635e+05
assign (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    4 and name  HB1) 2.864 1.025 1.025 weight 1.000 ! spec=Noesy15deg, no=169, id=167, vol=6.917538e+05
assign (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    4 and name  HB2) 2.707 0.916 0.916 weight 1.000 ! spec=Noesy15deg, no=170, id=168, vol=9.889362e+05
assign (segid "   A" and resid   14 and name HE21) (segid "   A" and resid    9 and name  HB1) 2.633 0.867 0.867 weight 1.000 ! spec=Noesy15deg, no=174, id=172, vol=1.324725e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid   27 and name  HB1) 3.605 1.625 1.625 weight 1.000 ! spec=Noesy15deg, no=175, id=173, vol=2.101615e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   27 and name  HB1) 2.411 0.727 0.727 weight 1.000 ! spec=Noesy15deg, no=176, id=174, vol=2.327588e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB1) 2.973 1.105 1.105 weight 1.000 ! spec=Noesy15deg, no=178, id=176, vol=9.790612e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HB) 2.656 0.882 0.882 weight 1.000 ! spec=Noesy15deg, no=179, id=177, vol=1.794096e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB2) 2.529 0.800 0.800 weight 1.000 ! spec=Noesy15deg, no=180, id=178, vol=1.959254e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HB) 2.397 0.718 0.718 weight 1.000 ! spec=Noesy15deg, no=181, id=179, vol=3.379796e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   26 and name  HB1) 3.642 1.658 1.658 weight 1.000 ! spec=Noesy15deg, no=182, id=180, vol=2.366340e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB2) 1.938 0.470 0.470 weight 1.000 ! spec=Noesy15deg, no=183, id=181, vol=8.325821e+06
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB3)
assign (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    7 and name  HB2) 3.266 1.334 1.334 weight 1.000 ! spec=Noesy15deg, no=185, id=183, vol=3.205690e+05
    or (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    7 and name  HB3)
assign (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    3 and name  HB2) 3.344 1.398 1.398 weight 1.000 ! spec=Noesy15deg, no=186, id=184, vol=2.617662e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   28 and name HG21) 3.178 1.262 1.262 weight 1.000 ! spec=Noesy15deg, no=190, id=188, vol=5.977295e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   28 and name HG22)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   28 and name HG23)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   14 and name  HB2) 3.625 1.643 1.643 weight 1.000 ! spec=Noesy15deg, no=191, id=189, vol=2.095082e+05
assign (segid "   A" and resid   14 and name HE22) (segid "   A" and resid   14 and name  HB2) 3.447 1.485 1.485 weight 1.000 ! spec=Noesy15deg, no=192, id=190, vol=2.686092e+05
assign (segid "   A" and resid   14 and name HE22) (segid "   A" and resid   16 and name   HB) 3.461 1.497 1.497 weight 1.000 ! spec=Noesy15deg, no=193, id=191, vol=2.313450e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   14 and name  HB2) 3.518 1.547 1.547 weight 1.000 ! spec=Noesy15deg, no=194, id=192, vol=2.896008e+05
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name  HB1) 2.992 1.119 1.119 weight 1.000 ! spec=Noesy15deg, no=196, id=194, vol=7.063488e+05
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name  HB2) 3.260 1.329 1.329 weight 1.000 ! spec=Noesy15deg, no=197, id=195, vol=4.251670e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   26 and name  HB1) 3.922 1.923 1.923 weight 1.000 ! spec=Noesy15deg, no=199, id=197, vol=1.177398e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid    3 and name   HG) 3.657 1.672 1.672 weight 1.000 ! spec=Noesy15deg, no=200, id=198, vol=1.575210e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HG2) 2.896 1.048 1.048 weight 1.000 ! spec=Noesy15deg, no=202, id=200, vol=7.935905e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HG1) 2.938 1.079 1.079 weight 1.000 ! spec=Noesy15deg, no=203, id=201, vol=7.228075e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB1) 1.833 0.420 0.420 weight 1.000 ! spec=Noesy15deg, no=205, id=203, vol=1.173682e+07
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB3)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB3) 1.855 0.430 0.430 weight 1.000 ! spec=Noesy15deg, no=206, id=204, vol=1.018584e+07
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB1)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB2)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    3 and name  HB2) 4.741 2.809 2.809 weight 1.000 ! spec=Noesy15deg, no=207, id=205, vol=2.400080e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name HG11) 3.857 1.860 1.860 weight 1.000 ! spec=Noesy15deg, no=208, id=206, vol=1.256942e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name HG22) 2.776 0.963 0.963 weight 1.000 ! spec=Noesy15deg, no=209, id=207, vol=1.268448e+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   26 and name   HN) (segid "   A" and resid   28 and name HG21) 3.866 1.868 1.868 weight 1.000 ! spec=Noesy15deg, no=210, id=208, vol=1.294848e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   28 and name HG22)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   28 and name HG23)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG11) 3.752 1.760 1.760 weight 1.000 ! spec=Noesy15deg, no=211, id=209, vol=1.974930e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    3 and name HD11) 3.530 1.557 1.557 weight 1.000 ! spec=Noesy15deg, no=212, id=210, vol=2.271895e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    3 and name HD11) 3.711 1.722 1.722 weight 1.000 ! spec=Noesy15deg, no=213, id=211, vol=2.063308e+05
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name HG23) 3.525 1.553 1.553 weight 1.000 ! spec=Noesy15deg, no=214, id=212, vol=2.475715e+05
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name HG22)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid   16 and name HG23) 3.478 1.512 1.512 weight 1.000 ! spec=Noesy15deg, no=215, id=213, vol=2.676092e+05
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid   16 and name HG22)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    3 and name HD11) 3.500 1.531 1.531 weight 1.000 ! spec=Noesy15deg, no=216, id=214, vol=2.371902e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid   14 and name HE22) (segid "   A" and resid    3 and name HD11) 2.485 0.772 0.772 weight 1.000 ! spec=Noesy15deg, no=217, id=215, vol=1.767537e+06
    or (segid "   A" and resid   14 and name HE22) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid   14 and name HE22) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid   14 and name HE22) (segid "   A" and resid    3 and name HD23) 3.737 1.745 1.745 weight 1.000 ! spec=Noesy15deg, no=218, id=216, vol=1.439278e+05
    or (segid "   A" and resid   14 and name HE22) (segid "   A" and resid    3 and name HD21)
    or (segid "   A" and resid   14 and name HE22) (segid "   A" and resid    3 and name HD22)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    3 and name HD11) 3.861 1.864 1.864 weight 1.000 ! spec=Noesy15deg, no=219, id=217, vol=1.444465e+05
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG23) 2.898 1.050 1.050 weight 1.000 ! spec=Noesy15deg, no=221, id=219, vol=9.738320e+05
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG22)
assign (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    3 and name HD23) 3.756 1.763 1.763 weight 1.000 ! spec=Noesy15deg, no=222, id=220, vol=1.219925e+05
    or (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    3 and name HD21)
    or (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    3 and name HD22)
assign (segid "   A" and resid   14 and name HE21) (segid "   A" and resid   14 and name  HG2) 3.105 1.205 1.205 weight 1.000 ! spec=Noesy15deg, no=223, id=221, vol=4.565295e+05
assign (segid "   A" and resid   14 and name HE21) (segid "   A" and resid   14 and name  HG1) 3.037 1.153 1.153 weight 1.000 ! spec=Noesy15deg, no=224, id=222, vol=5.565980e+05
assign (segid "   A" and resid   14 and name HE21) (segid "   A" and resid   14 and name  HB1) 3.780 1.786 1.786 weight 1.000 ! spec=Noesy15deg, no=225, id=223, vol=1.472918e+05
assign (segid "   A" and resid   14 and name HE21) (segid "   A" and resid   14 and name  HB2) 3.899 1.901 1.901 weight 1.000 ! spec=Noesy15deg, no=226, id=224, vol=1.184435e+05
assign (segid "   A" and resid   14 and name HE21) (segid "   A" and resid    3 and name HD11) 2.570 0.825 0.825 weight 1.000 ! spec=Noesy15deg, no=228, id=226, vol=1.454607e+06
    or (segid "   A" and resid   14 and name HE21) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid   14 and name HE21) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid   14 and name HE21) (segid "   A" and resid    3 and name HD23) 3.789 1.795 1.795 weight 1.000 ! spec=Noesy15deg, no=229, id=227, vol=1.488808e+05
    or (segid "   A" and resid   14 and name HE21) (segid "   A" and resid    3 and name HD21)
    or (segid "   A" and resid   14 and name HE21) (segid "   A" and resid    3 and name HD22)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   26 and name   HA) 2.753 0.947 0.947 weight 1.000 ! spec=Noesy15deg, no=230, id=228, vol=1.159663e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid   26 and name   HA) 3.896 1.898 1.898 weight 1.000 ! spec=Noesy15deg, no=231, id=229, vol=1.058408e+05
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    2 and name   HA) 3.548 1.574 1.574 weight 1.000 ! spec=Noesy15deg, no=232, id=230, vol=2.218015e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   27 and name   HA) 3.408 1.452 1.452 weight 1.000 ! spec=Noesy15deg, no=233, id=231, vol=3.152908e+05
assign (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   27 and name   HA) 4.870 2.965 2.965 weight 1.000 ! spec=Noesy15deg, no=234, id=232, vol=4.217662e+05
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   26 and name   HA) 4.331 2.344 2.344 weight 1.000 ! spec=Noesy15deg, no=236, id=234, vol=1.028330e+05
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid    2 and name   HA) 3.990 1.990 1.990 weight 1.000 ! spec=Noesy15deg, no=237, id=235, vol=1.378035e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name   HB) 2.133 0.569 0.569 weight 1.000 ! spec=Noesy15deg, no=238, id=236, vol=5.269908e+06
assign (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name   HA) 2.391 0.715 0.715 weight 1.000 ! spec=Noesy15deg, no=239, id=237, vol=2.675494e+06
assign (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   18 and name   HA) 4.683 2.741 2.741 weight 1.000 ! spec=Noesy15deg, no=240, id=238, vol=3.273500e+04
assign (segid "   A" and resid   11 and name  HA1) (segid "   A" and resid   11 and name  HA2) 2.182 0.595 0.595 weight 1.000 ! spec=Noesy15deg, no=241, id=239, vol=2.249010e+06
assign (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   17 and name   HA) 4.401 2.421 2.421 weight 1.000 ! spec=Noesy15deg, no=244, id=242, vol=1.748600e+05
assign (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   16 and name   HA) 2.196 0.603 0.603 weight 1.000 ! spec=Noesy15deg, no=245, id=243, vol=4.315147e+06
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   16 and name   HA) 2.299 0.660 0.660 weight 1.000 ! spec=Noesy15deg, no=246, id=244, vol=3.853170e+06
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   23 and name   HA) 3.271 1.338 1.338 weight 1.000 ! spec=Noesy15deg, no=247, id=245, vol=4.028428e+05
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   11 and name  HA2) 2.513 0.789 0.789 weight 1.000 ! spec=Noesy15deg, no=249, id=247, vol=1.998653e+06
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid   28 and name   HA) 2.987 1.115 1.115 weight 1.000 ! spec=Noesy15deg, no=250, id=248, vol=6.540705e+05
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    4 and name   HA) 3.855 1.858 1.858 weight 1.000 ! spec=Noesy15deg, no=251, id=249, vol=1.818432e+05
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   23 and name   HA) 2.792 0.974 0.974 weight 1.000 ! spec=Noesy15deg, no=252, id=250, vol=9.499218e+05
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name   HA) 2.265 0.641 0.641 weight 1.000 ! spec=Noesy15deg, no=253, id=251, vol=3.585145e+06
assign (segid "   A" and resid    6 and name  HA1) (segid "   A" and resid    6 and name  HA2) 2.856 1.020 1.020 weight 1.000 ! spec=Noesy15deg, no=254, id=252, vol=2.890458e+06
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   11 and name  HA2) 2.710 0.918 0.918 weight 1.000 ! spec=Noesy15deg, no=255, id=253, vol=1.460925e+06
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   11 and name  HA1) 2.888 1.043 1.043 weight 1.000 ! spec=Noesy15deg, no=256, id=254, vol=8.277600e+05
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid   27 and name  HB2) 3.196 1.277 1.277 weight 1.000 ! spec=Noesy15deg, no=257, id=255, vol=4.316958e+05
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   17 and name  HD2) 1.881 0.442 0.442 weight 1.000 ! spec=Noesy15deg, no=258, id=256, vol=1.235205e+07
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   11 and name  HA1) 2.622 0.859 0.859 weight 1.000 ! spec=Noesy15deg, no=259, id=257, vol=1.805555e+06
assign (segid "   A" and resid   12 and name  HD1) (segid "   A" and resid   12 and name  HD2) 1.822 0.415 0.415 weight 1.000 ! spec=Noesy15deg, no=260, id=258, vol=1.310850e+07
assign (segid "   A" and resid    6 and name  HA1) (segid "   A" and resid    5 and name   HA) 3.410 1.453 1.453 weight 1.000 ! spec=Noesy15deg, no=261, id=259, vol=2.006018e+05
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name  HB2) 1.567 0.307 0.307 weight 1.000 ! spec=Noesy15deg, no=262, id=260, vol=3.121919e+07
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   27 and name   HA) 5.285 3.492 3.492 weight 1.000 ! spec=Noesy15deg, no=263, id=261, vol=1.380288e+05
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   27 and name   HA) 4.661 2.715 2.715 weight 1.000 ! spec=Noesy15deg, no=264, id=262, vol=9.780975e+04
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   27 and name   HA) 3.112 1.211 1.211 weight 1.000 ! spec=Noesy15deg, no=265, id=263, vol=7.423260e+05
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name   HA) 3.373 1.422 1.422 weight 1.000 ! spec=Noesy15deg, no=266, id=264, vol=4.574802e+05
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name   HA) 2.990 1.117 1.117 weight 1.000 ! spec=Noesy15deg, no=267, id=265, vol=9.751280e+05
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    2 and name   HA) 2.961 1.096 1.096 weight 1.000 ! spec=Noesy15deg, no=268, id=266, vol=1.660113e+06
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   18 and name   HA) 3.385 1.432 1.432 weight 1.000 ! spec=Noesy15deg, no=269, id=267, vol=9.462145e+05
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   17 and name   HA) 5.145 3.309 3.309 weight 1.000 ! spec=Noesy15deg, no=270, id=268, vol=7.596375e+04
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name   HA) 3.007 1.130 1.130 weight 1.000 ! spec=Noesy15deg, no=271, id=269, vol=1.117120e+06
assign (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    4 and name   HA) 2.625 0.861 0.861 weight 1.000 ! spec=Noesy15deg, no=272, id=270, vol=1.821305e+06
assign (segid "   A" and resid   20 and name  HA2) (segid "   A" and resid   20 and name  HA1) 2.641 0.872 0.872 weight 1.000 ! spec=Noesy15deg, no=273, id=271, vol=5.771799e+06
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name   HA) 4.474 2.502 2.502 weight 1.000 ! spec=Noesy15deg, no=274, id=272, vol=9.759060e+05
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid   18 and name   HA) 3.400 1.445 1.445 weight 1.000 ! spec=Noesy15deg, no=275, id=273, vol=2.755078e+05
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid   18 and name   HA) 4.093 2.094 2.094 weight 1.000 ! spec=Noesy15deg, no=276, id=274, vol=3.631250e+03
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid   19 and name   HA) 4.070 2.071 2.071 weight 1.000 ! spec=Noesy15deg, no=277, id=275, vol=6.374885e+05
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name   HA) 2.578 0.831 0.831 weight 1.000 ! spec=Noesy15deg, no=278, id=276, vol=1.401410e+06
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name   HA) 2.559 0.818 0.818 weight 1.000 ! spec=Noesy15deg, no=279, id=277, vol=1.773230e+06
assign (segid "   A" and resid   14 and name  HG2) (segid "   A" and resid   14 and name   HA) 3.302 1.363 1.363 weight 1.000 ! spec=Noesy15deg, no=280, id=278, vol=4.928518e+05
assign (segid "   A" and resid   14 and name  HG1) (segid "   A" and resid   14 and name   HA) 3.080 1.186 1.186 weight 1.000 ! spec=Noesy15deg, no=281, id=279, vol=6.232945e+05
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name   HA) 2.819 0.993 0.993 weight 1.000 ! spec=Noesy15deg, no=282, id=280, vol=9.789798e+05
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name   HA) 2.845 1.011 1.011 weight 1.000 ! spec=Noesy15deg, no=284, id=282, vol=7.532448e+05
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid   18 and name   HA) 2.611 0.852 0.852 weight 1.000 ! spec=Noesy15deg, no=285, id=283, vol=2.255981e+06
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name   HA) 2.667 0.889 0.889 weight 1.000 ! spec=Noesy15deg, no=287, id=285, vol=1.275740e+06
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name   HA) 2.736 0.936 0.936 weight 1.000 ! spec=Noesy15deg, no=288, id=286, vol=1.174045e+06
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   10 and name   HA) 3.459 1.496 1.496 weight 1.000 ! spec=Noesy15deg, no=289, id=287, vol=3.427578e+05
assign (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   17 and name   HA) 3.871 1.873 1.873 weight 1.000 ! spec=Noesy15deg, no=290, id=288, vol=1.566798e+05
assign (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name   HA) 3.189 1.271 1.271 weight 1.000 ! spec=Noesy15deg, no=291, id=289, vol=5.413852e+05
assign (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid    2 and name   HA) 3.802 1.807 1.807 weight 1.000 ! spec=Noesy15deg, no=292, id=290, vol=1.852682e+05
assign (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid    2 and name   HA) 3.518 1.547 1.547 weight 1.000 ! spec=Noesy15deg, no=293, id=291, vol=2.884532e+05
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name   HA) 2.742 0.940 0.940 weight 1.000 ! spec=Noesy15deg, no=294, id=292, vol=1.111087e+06
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name   HA) 2.627 0.863 0.863 weight 1.000 ! spec=Noesy15deg, no=295, id=293, vol=1.525588e+06
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid   26 and name   HA) 3.020 1.140 1.140 weight 1.000 ! spec=Noesy15deg, no=296, id=294, vol=7.327628e+05
    or (segid "   A" and resid    8 and name  HB3) (segid "   A" and resid   26 and name   HA)
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid    3 and name   HG) (segid "   A" and resid    2 and name   HA) 3.518 1.547 1.547 weight 1.000 ! spec=Noesy15deg, no=297, id=295, vol=2.860768e+05
assign (segid "   A" and resid   28 and name HG21) (segid "   A" and resid   27 and name   HA) 3.077 1.184 1.184 weight 1.000 ! spec=Noesy15deg, no=298, id=296, vol=5.703782e+05
    or (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   27 and name   HA)
    or (segid "   A" and resid   28 and name HG23) (segid "   A" and resid   27 and name   HA)
assign (segid "   A" and resid   28 and name HG21) (segid "   A" and resid   22 and name   HA) 3.339 1.393 1.393 weight 1.000 ! spec=Noesy15deg, no=299, id=297, vol=3.601650e+05
    or (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   28 and name HG23) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   22 and name   HA) 3.794 1.799 1.799 weight 1.000 ! spec=Noesy15deg, no=300, id=298, vol=2.034020e+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    3 and name HD23) (segid "   A" and resid    2 and name   HA) 5.101 3.252 3.252 weight 1.000 ! spec=Noesy15deg, no=301, id=299, vol=7.444725e+04
    or (segid "   A" and resid    3 and name HD21) (segid "   A" and resid    2 and name   HA)
    or (segid "   A" and resid    3 and name HD22) (segid "   A" and resid    2 and name   HA)
assign (segid "   A" and resid    3 and name   HG) (segid "   A" and resid    3 and name   HA) 2.654 0.881 0.881 weight 1.000 ! spec=Noesy15deg, no=302, id=300, vol=1.441566e+06
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    8 and name   HA) 1.954 0.477 0.477 weight 1.000 ! spec=Noesy15deg, no=303, id=301, vol=8.631300e+06
    or (segid "   A" and resid    8 and name  HB3) (segid "   A" and resid    8 and name   HA)
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name   HA)
assign (segid "   A" and resid   16 and name HG12) (segid "   A" and resid   16 and name   HA) 3.034 1.150 1.150 weight 1.000 ! spec=Noesy15deg, no=304, id=302, vol=5.920380e+05
assign (segid "   A" and resid    3 and name   HG) (segid "   A" and resid   18 and name   HA) 3.078 1.184 1.184 weight 1.000 ! spec=Noesy15deg, no=305, id=303, vol=5.840640e+05
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid   18 and name   HA) 2.853 1.018 1.018 weight 1.000 ! spec=Noesy15deg, no=306, id=304, vol=7.246620e+05
assign (segid "   A" and resid    5 and name  HB3) (segid "   A" and resid    6 and name  HA2) 3.523 1.552 1.552 weight 1.000 ! spec=Noesy15deg, no=307, id=305, vol=2.185060e+05
    or (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    6 and name  HA2)
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    6 and name  HA2)
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name   HA) 2.445 0.747 0.747 weight 1.000 ! spec=Noesy15deg, no=308, id=306, vol=1.916514e+06
assign (segid "   A" and resid   28 and name HG21) (segid "   A" and resid   28 and name   HB) 2.015 0.508 0.508 weight 1.000 ! spec=Noesy15deg, no=310, id=308, vol=6.982139e+06
    or (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   28 and name   HB)
    or (segid "   A" and resid   28 and name HG23) (segid "   A" and resid   28 and name   HB)
assign (segid "   A" and resid   16 and name HG11) (segid "   A" and resid   16 and name   HA) 3.002 1.126 1.126 weight 1.000 ! spec=Noesy15deg, no=311, id=309, vol=7.018510e+05
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   23 and name   HA) 3.669 1.683 1.683 weight 1.000 ! spec=Noesy15deg, no=312, id=310, vol=1.657712e+05
    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   28 and name HG21) (segid "   A" and resid   23 and name   HA) 3.560 1.585 1.585 weight 1.000 ! spec=Noesy15deg, no=313, id=311, vol=2.125380e+05
    or (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   23 and name   HA)
    or (segid "   A" and resid   28 and name HG23) (segid "   A" and resid   23 and name   HA)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   21 and name   HA) 2.315 0.670 0.670 weight 1.000 ! spec=Noesy15deg, no=314, id=312, vol=3.108947e+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    3 and name HD11) (segid "   A" and resid   18 and name   HA) 3.023 1.142 1.142 weight 1.000 ! spec=Noesy15deg, no=315, id=313, vol=6.320330e+05
    or (segid "   A" and resid    3 and name HD13) (segid "   A" and resid   18 and name   HA)
    or (segid "   A" and resid    3 and name HD12) (segid "   A" and resid   18 and name   HA)
assign (segid "   A" and resid    3 and name HD23) (segid "   A" and resid   18 and name   HA) 3.600 1.620 1.620 weight 1.000 ! spec=Noesy15deg, no=316, id=314, vol=2.048055e+05
    or (segid "   A" and resid    3 and name HD21) (segid "   A" and resid   18 and name   HA)
    or (segid "   A" and resid    3 and name HD22) (segid "   A" and resid   18 and name   HA)
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid   16 and name   HA) 2.327 0.677 0.677 weight 1.000 ! spec=Noesy15deg, no=317, id=315, vol=3.139882e+06
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid   16 and name   HA)
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   16 and name   HA) 2.765 0.956 0.956 weight 1.000 ! spec=Noesy15deg, no=318, id=316, vol=1.020995e+06
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   16 and name   HA)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid    3 and name HD11) (segid "   A" and resid   17 and name   HA) 3.481 1.515 1.515 weight 1.000 ! spec=Noesy15deg, no=319, id=317, vol=2.149732e+05
    or (segid "   A" and resid    3 and name HD13) (segid "   A" and resid   17 and name   HA)
    or (segid "   A" and resid    3 and name HD12) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid    3 and name HD11) (segid "   A" and resid    3 and name   HA) 2.971 1.103 1.103 weight 1.000 ! spec=Noesy15deg, no=320, id=318, vol=6.903100e+05
    or (segid "   A" and resid    3 and name HD13) (segid "   A" and resid    3 and name   HA)
    or (segid "   A" and resid    3 and name HD12) (segid "   A" and resid    3 and name   HA)
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid    3 and name   HA) 3.404 1.448 1.448 weight 1.000 ! spec=Noesy15deg, no=321, id=319, vol=2.973070e+05
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid    3 and name   HA)
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid    3 and name   HA)
assign (segid "   A" and resid    3 and name HD23) (segid "   A" and resid    3 and name   HA) 2.078 0.540 0.540 weight 1.000 ! spec=Noesy15deg, no=322, id=320, vol=6.146860e+06
    or (segid "   A" and resid    3 and name HD21) (segid "   A" and resid    3 and name   HA)
    or (segid "   A" and resid    3 and name HD22) (segid "   A" and resid    3 and name   HA)
assign (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   14 and name   HA) 3.233 1.306 1.306 weight 1.000 ! spec=Noesy15deg, no=323, id=321, vol=4.194682e+05
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   14 and name   HA)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   14 and name   HA)
assign (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   13 and name   HA) 2.861 1.023 1.023 weight 1.000 ! spec=Noesy15deg, no=324, id=322, vol=9.392740e+05
assign (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    1 and name   HA) 3.324 1.382 1.382 weight 1.000 ! spec=Noesy15deg, no=325, id=323, vol=4.050298e+05
assign (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    1 and name   HA) 3.037 1.153 1.153 weight 1.000 ! spec=Noesy15deg, no=326, id=324, vol=6.696622e+05
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name   HA) 1.834 0.420 0.420 weight 1.000 ! spec=Noesy15deg, no=330, id=328, vol=1.121639e+07
    or (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    7 and name   HA)
    or (segid "   A" and resid    7 and name  HB3) (segid "   A" and resid    7 and name   HA)
assign (segid "   A" and resid   13 and name HG12) (segid "   A" and resid   13 and name   HA) 3.530 1.558 1.558 weight 1.000 ! spec=Noesy15deg, no=331, id=329, vol=2.785370e+05
assign (segid "   A" and resid    5 and name  HB3) (segid "   A" and resid   28 and name   HA) 2.625 0.861 0.861 weight 1.000 ! spec=Noesy15deg, no=332, id=330, vol=1.491289e+06
    or (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid   28 and name   HA)
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid   13 and name HG11) (segid "   A" and resid   13 and name   HA) 3.508 1.538 1.538 weight 1.000 ! spec=Noesy15deg, no=333, id=331, vol=3.280972e+05
assign (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   13 and name   HA) 2.393 0.716 0.716 weight 1.000 ! spec=Noesy15deg, no=334, id=332, vol=2.850246e+06
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   13 and name   HA)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   13 and name   HA)
assign (segid "   A" and resid    3 and name HD23) (segid "   A" and resid    7 and name   HA) 3.772 1.778 1.778 weight 1.000 ! spec=Noesy15deg, no=335, id=333, vol=1.343738e+05
    or (segid "   A" and resid    3 and name HD21) (segid "   A" and resid    7 and name   HA)
    or (segid "   A" and resid    3 and name HD22) (segid "   A" and resid    7 and name   HA)
assign (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   15 and name   HA) 3.407 1.451 1.451 weight 1.000 ! spec=Noesy15deg, no=336, id=334, vol=3.452380e+05
assign (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name   HA) 3.489 1.521 1.521 weight 1.000 ! spec=Noesy15deg, no=337, id=335, vol=3.143798e+05
assign (segid "   A" and resid   16 and name HG12) (segid "   A" and resid   15 and name   HA) 3.805 1.810 1.810 weight 1.000 ! spec=Noesy15deg, no=338, id=336, vol=1.964742e+05
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid   27 and name  HB2) 3.301 1.362 1.362 weight 1.000 ! spec=Noesy15deg, no=339, id=337, vol=4.035178e+05
    or (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid   27 and name  HB2)
    or (segid "   A" and resid    7 and name  HB3) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid   27 and name  HB2) 3.540 1.567 1.567 weight 1.000 ! spec=Noesy15deg, no=340, id=338, vol=2.318545e+05
assign (segid "   A" and resid   28 and name HG21) (segid "   A" and resid   21 and name   HB) 3.170 1.256 1.256 weight 1.000 ! spec=Noesy15deg, no=341, id=339, vol=4.777802e+05
    or (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   21 and name   HB)
    or (segid "   A" and resid   28 and name HG23) (segid "   A" and resid   21 and name   HB)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   21 and name   HB) 2.275 0.647 0.647 weight 1.000 ! spec=Noesy15deg, no=342, id=340, vol=3.946362e+06
    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   22 and name  HB2) (segid "   A" and resid   21 and name   HA) 3.390 1.437 1.437 weight 1.000 ! spec=Noesy15deg, no=343, id=341, vol=2.577325e+05
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   21 and name   HA) 5.246 3.440 3.440 weight 1.000 ! spec=Noesy15deg, no=344, id=342, vol=7.767425e+04
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   21 and name   HB) 3.991 1.991 1.991 weight 1.000 ! spec=Noesy15deg, no=346, id=344, vol=1.531425e+05
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid   17 and name  HD2) 4.948 3.061 3.061 weight 1.000 ! spec=Noesy15deg, no=347, id=345, vol=1.005385e+05
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   27 and name  HB2) 1.929 0.465 0.465 weight 1.000 ! spec=Noesy15deg, no=348, id=346, vol=8.289672e+06
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid    5 and name   HA) 2.677 0.896 0.896 weight 1.000 ! spec=Noesy15deg, no=349, id=347, vol=1.156150e+06
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   18 and name  HB2) 3.340 1.394 1.394 weight 1.000 ! spec=Noesy15deg, no=350, id=348, vol=3.007670e+05
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name  HB2) 1.767 0.390 0.390 weight 1.000 ! spec=Noesy15deg, no=351, id=349, vol=1.326006e+07
assign (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    4 and name  HB1) 1.765 0.389 0.389 weight 1.000 ! spec=Noesy15deg, no=352, id=350, vol=1.985928e+07
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name  HB2) 1.879 0.442 0.442 weight 1.000 ! spec=Noesy15deg, no=353, id=351, vol=1.277962e+07
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name  HD1) 3.191 1.273 1.273 weight 1.000 ! spec=Noesy15deg, no=354, id=352, vol=4.335930e+05
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name  HD2) 3.444 1.482 1.482 weight 1.000 ! spec=Noesy15deg, no=355, id=353, vol=2.538682e+05
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   27 and name  HB2) 3.578 1.600 1.600 weight 1.000 ! spec=Noesy15deg, no=356, id=354, vol=3.581215e+05
assign (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   17 and name  HD2) 2.608 0.850 0.850 weight 1.000 ! spec=Noesy15deg, no=359, id=357, vol=1.646408e+06
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name  HD2) 2.629 0.864 0.864 weight 1.000 ! spec=Noesy15deg, no=361, id=359, vol=1.478254e+06
assign (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   17 and name  HD2) 2.725 0.928 0.928 weight 1.000 ! spec=Noesy15deg, no=362, id=360, vol=1.275400e+06
assign (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   17 and name  HD2) 3.526 1.554 1.554 weight 1.000 ! spec=Noesy15deg, no=364, id=362, vol=2.583990e+05
assign (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   17 and name  HD1) 2.982 1.111 1.111 weight 1.000 ! spec=Noesy15deg, no=365, id=363, vol=7.439412e+05
assign (segid "   A" and resid    5 and name  HB3) (segid "   A" and resid    5 and name   HA) 2.058 0.530 0.530 weight 1.000 ! spec=Noesy15deg, no=370, id=368, vol=5.657386e+06
    or (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    5 and name   HA)
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    5 and name   HA)
assign (segid "   A" and resid   28 and name HG21) (segid "   A" and resid   23 and name  HB2) 2.351 0.691 0.691 weight 1.000 ! spec=Noesy15deg, no=371, id=369, vol=2.791444e+06
    or (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   23 and name  HB2)
    or (segid "   A" and resid   28 and name HG23) (segid "   A" and resid   23 and name  HB2)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   23 and name  HB2) 3.427 1.468 1.468 weight 1.000 ! spec=Noesy15deg, no=372, id=370, vol=3.016350e+05
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   23 and name  HB2)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   23 and name  HB2)
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid   17 and name  HD1) 2.924 1.069 1.069 weight 1.000 ! spec=Noesy15deg, no=373, id=371, vol=7.707465e+05
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid   17 and name  HD1)
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid   17 and name  HD1)
assign (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   17 and name  HD2) 4.045 2.045 2.045 weight 1.000 ! spec=Noesy15deg, no=374, id=372, vol=1.734660e+05
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   17 and name  HD2)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   17 and name  HD2)
assign (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   17 and name  HD1) 3.961 1.961 1.961 weight 1.000 ! spec=Noesy15deg, no=375, id=373, vol=1.508232e+05
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   17 and name  HD1)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   17 and name  HD1)
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid    6 and name  HA1) 3.523 1.551 1.551 weight 1.000 ! spec=Noesy15deg, no=376, id=374, vol=3.117342e+05
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid    6 and name  HA1) 3.187 1.269 1.269 weight 1.000 ! spec=Noesy15deg, no=377, id=375, vol=4.763285e+05
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    6 and name  HA1) 3.572 1.595 1.595 weight 1.000 ! spec=Noesy15deg, no=378, id=376, vol=2.640118e+05
    or (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    6 and name  HA1)
    or (segid "   A" and resid    7 and name  HB3) (segid "   A" and resid    6 and name  HA1)
assign (segid "   A" and resid    5 and name  HB3) (segid "   A" and resid    6 and name  HA1) 4.402 2.423 2.423 weight 1.000 ! spec=Noesy15deg, no=379, id=377, vol=1.073798e+05
    or (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    6 and name  HA1)
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    6 and name  HA1)
assign (segid "   A" and resid   28 and name HG21) (segid "   A" and resid   23 and name  HB1) 2.414 0.728 0.728 weight 1.000 ! spec=Noesy15deg, no=380, id=378, vol=2.346199e+06
    or (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   23 and name  HB1)
    or (segid "   A" and resid   28 and name HG23) (segid "   A" and resid   23 and name  HB1)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   23 and name  HB1) 2.842 1.010 1.010 weight 1.000 ! spec=Noesy15deg, no=381, id=379, vol=9.085508e+05
    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   19 and name  HB1) (segid "   A" and resid   20 and name  HA2) 3.806 1.811 1.811 weight 1.000 ! spec=Noesy15deg, no=382, id=380, vol=7.358925e+04
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   18 and name  HB2) 1.876 0.440 0.440 weight 1.000 ! spec=Noesy15deg, no=383, id=381, vol=9.932680e+06
assign (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid    2 and name  HB1) 3.830 1.833 1.833 weight 1.000 ! spec=Noesy15deg, no=386, id=384, vol=1.744842e+05
assign (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid    2 and name  HB2) 3.830 1.833 1.833 weight 1.000 ! spec=Noesy15deg, no=388, id=386, vol=1.700375e+05
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid   18 and name  HB2) 3.668 1.681 1.681 weight 1.000 ! spec=Noesy15deg, no=395, id=393, vol=2.333272e+05
    or (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid   18 and name  HB2)
    or (segid "   A" and resid    7 and name  HB3) (segid "   A" and resid   18 and name  HB2)
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid   18 and name  HB2) 3.367 1.417 1.417 weight 1.000 ! spec=Noesy15deg, no=396, id=394, vol=3.314275e+05
assign (segid "   A" and resid    5 and name  HB3) (segid "   A" and resid    4 and name  HB1) 3.280 1.345 1.345 weight 1.000 ! spec=Noesy15deg, no=397, id=395, vol=4.043152e+05
    or (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    4 and name  HB1)
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    4 and name  HB1)
assign (segid "   A" and resid    3 and name HD11) (segid "   A" and resid    9 and name  HB1) 4.925 3.032 3.032 weight 1.000 ! spec=Noesy15deg, no=398, id=396, vol=1.766092e+05
    or (segid "   A" and resid    3 and name HD13) (segid "   A" and resid    9 and name  HB1)
    or (segid "   A" and resid    3 and name HD12) (segid "   A" and resid    9 and name  HB1)
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid    2 and name  HB1) 4.691 2.751 2.751 weight 1.000 ! spec=Noesy15deg, no=401, id=399, vol=1.225425e+05
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid    2 and name  HB1)
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid    2 and name  HB1)
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid    2 and name  HB2) 3.580 1.602 1.602 weight 1.000 ! spec=Noesy15deg, no=402, id=400, vol=2.291442e+05
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid    2 and name  HB2)
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid    2 and name  HB2)
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid   27 and name  HB1) 2.781 0.967 0.967 weight 1.000 ! spec=Noesy15deg, no=403, id=401, vol=9.982935e+05
    or (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid   27 and name  HB1)
    or (segid "   A" and resid    7 and name  HB3) (segid "   A" and resid   27 and name  HB1)
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid   27 and name  HB1) 3.680 1.693 1.693 weight 1.000 ! spec=Noesy15deg, no=404, id=402, vol=2.491242e+05
assign (segid "   A" and resid   14 and name  HG1) (segid "   A" and resid   14 and name  HG2) 1.902 0.452 0.452 weight 1.000 ! spec=Noesy15deg, no=405, id=403, vol=1.123507e+07
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name  HG2) 2.369 0.701 0.701 weight 1.000 ! spec=Noesy15deg, no=406, id=404, vol=2.730411e+06
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name  HB2) 2.340 0.685 0.685 weight 1.000 ! spec=Noesy15deg, no=408, id=406, vol=3.757217e+06
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name  HG2) 2.887 1.042 1.042 weight 1.000 ! spec=Noesy15deg, no=411, id=409, vol=8.067048e+05
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name  HG1) 3.116 1.213 1.213 weight 1.000 ! spec=Noesy15deg, no=413, id=411, vol=4.916060e+05
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name  HB1) 2.028 0.514 0.514 weight 1.000 ! spec=Noesy15deg, no=414, id=412, vol=7.676874e+06
assign (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   17 and name  HG2) 1.928 0.464 0.464 weight 1.000 ! spec=Noesy15deg, no=415, id=413, vol=9.540484e+06
assign (segid "   A" and resid    3 and name   HG) (segid "   A" and resid    3 and name  HB1) 2.254 0.635 0.635 weight 1.000 ! spec=Noesy15deg, no=417, id=415, vol=3.931904e+06
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name  HB1) 2.686 0.902 0.902 weight 1.000 ! spec=Noesy15deg, no=418, id=416, vol=3.184760e+06
assign (segid "   A" and resid    3 and name HD11) (segid "   A" and resid    3 and name  HB1) 2.309 0.666 0.666 weight 1.000 ! spec=Noesy15deg, no=419, id=417, vol=3.328917e+06
    or (segid "   A" and resid    3 and name HD13) (segid "   A" and resid    3 and name  HB1)
    or (segid "   A" and resid    3 and name HD12) (segid "   A" and resid    3 and name  HB1)
assign (segid "   A" and resid    3 and name HD23) (segid "   A" and resid    3 and name  HB1) 2.813 0.989 0.989 weight 1.000 ! spec=Noesy15deg, no=420, id=418, vol=9.692952e+05
    or (segid "   A" and resid    3 and name HD21) (segid "   A" and resid    3 and name  HB1)
    or (segid "   A" and resid    3 and name HD22) (segid "   A" and resid    3 and name  HB1)
assign (segid "   A" and resid   16 and name HG12) (segid "   A" and resid   16 and name   HB) 2.998 1.123 1.123 weight 1.000 ! spec=Noesy15deg, no=424, id=422, vol=6.017928e+05
assign (segid "   A" and resid   13 and name HG12) (segid "   A" and resid   13 and name   HB) 3.168 1.255 1.255 weight 1.000 ! spec=Noesy15deg, no=426, id=424, vol=5.605112e+05
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   26 and name  HD1) 1.817 0.412 0.412 weight 1.000 ! spec=Noesy15deg, no=427, id=425, vol=1.471444e+07
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HB2) 1.778 0.395 0.395 weight 1.000 ! spec=Noesy15deg, no=428, id=426, vol=1.609271e+07
assign (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   12 and name  HB1) 3.419 1.461 1.461 weight 1.000 ! spec=Noesy15deg, no=432, id=430, vol=2.463195e+05
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   12 and name  HB1)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   12 and name  HB1)
assign (segid "   A" and resid    3 and name HD11) (segid "   A" and resid   16 and name   HB) 2.784 0.969 0.969 weight 1.000 ! spec=Noesy15deg, no=433, id=431, vol=9.191932e+05
    or (segid "   A" and resid    3 and name HD13) (segid "   A" and resid   16 and name   HB)
    or (segid "   A" and resid    3 and name HD12) (segid "   A" and resid   16 and name   HB)
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid   16 and name   HB) 2.147 0.576 0.576 weight 1.000 ! spec=Noesy15deg, no=434, id=432, vol=4.724517e+06
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid   16 and name   HB)
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid   16 and name   HB)
assign (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   16 and name   HB) 2.517 0.792 0.792 weight 1.000 ! spec=Noesy15deg, no=435, id=433, vol=1.727960e+06
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   16 and name   HB)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   16 and name   HB)
assign (segid "   A" and resid    3 and name HD23) (segid "   A" and resid   16 and name   HB) 2.788 0.972 0.972 weight 1.000 ! spec=Noesy15deg, no=436, id=434, vol=1.040124e+06
    or (segid "   A" and resid    3 and name HD21) (segid "   A" and resid   16 and name   HB)
    or (segid "   A" and resid    3 and name HD22) (segid "   A" and resid   16 and name   HB)
assign (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name  HG2) 2.204 0.607 0.607 weight 1.000 ! spec=Noesy15deg, no=437, id=435, vol=2.107611e+06
assign (segid "   A" and resid   13 and name HG11) (segid "   A" and resid   13 and name HG12) 2.044 0.522 0.522 weight 1.000 ! spec=Noesy15deg, no=438, id=436, vol=6.647418e+06
assign (segid "   A" and resid   16 and name HG11) (segid "   A" and resid   16 and name HG12) 1.986 0.493 0.493 weight 1.000 ! spec=Noesy15deg, no=439, id=437, vol=8.164458e+06
assign (segid "   A" and resid   13 and name HD11) (segid "   A" and resid   13 and name HG12) 1.995 0.498 0.498 weight 1.000 ! spec=Noesy15deg, no=443, id=441, vol=6.979429e+06
    or (segid "   A" and resid   13 and name HD13) (segid "   A" and resid   13 and name HG12)
    or (segid "   A" and resid   13 and name HD12) (segid "   A" and resid   13 and name HG12)
assign (segid "   A" and resid    3 and name HD11) (segid "   A" and resid    3 and name  HB2) 2.450 0.751 0.751 weight 1.000 ! spec=Noesy15deg, no=444, id=442, vol=2.040174e+06
    or (segid "   A" and resid    3 and name HD13) (segid "   A" and resid    3 and name  HB2)
    or (segid "   A" and resid    3 and name HD12) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid    3 and name   HG) 2.211 0.611 0.611 weight 1.000 ! spec=Noesy15deg, no=445, id=443, vol=4.384879e+06
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid    3 and name   HG)
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid    3 and name   HG)
assign (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   16 and name HG12) 2.303 0.663 0.663 weight 1.000 ! spec=Noesy15deg, no=446, id=444, vol=4.000370e+06
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   16 and name HG12)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   16 and name HG12)
assign (segid "   A" and resid    3 and name HD23) (segid "   A" and resid    3 and name   HG) 2.210 0.611 0.611 weight 1.000 ! spec=Noesy15deg, no=447, id=445, vol=5.069886e+06
    or (segid "   A" and resid    3 and name HD21) (segid "   A" and resid    3 and name   HG)
    or (segid "   A" and resid    3 and name HD22) (segid "   A" and resid    3 and name   HG)
assign (segid "   A" and resid    3 and name HD23) (segid "   A" and resid    3 and name  HB2) 2.415 0.729 0.729 weight 1.000 ! spec=Noesy15deg, no=448, id=446, vol=2.359022e+06
    or (segid "   A" and resid    3 and name HD21) (segid "   A" and resid    3 and name  HB2)
    or (segid "   A" and resid    3 and name HD22) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid   13 and name HD11) (segid "   A" and resid   13 and name HG11) 1.998 0.499 0.499 weight 1.000 ! spec=Noesy15deg, no=449, id=447, vol=7.429154e+06
    or (segid "   A" and resid   13 and name HD13) (segid "   A" and resid   13 and name HG11)
    or (segid "   A" and resid   13 and name HD12) (segid "   A" and resid   13 and name HG11)
assign (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   16 and name HG11) 2.211 0.611 0.611 weight 1.000 ! spec=Noesy15deg, no=450, id=448, vol=4.055832e+06
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   16 and name HG11)
assign (segid "   A" and resid    3 and name HD23) (segid "   A" and resid    3 and name HD11) 2.612 0.853 0.853 weight 1.000 ! spec=Noesy15deg, no=451, id=449, vol=3.040938e+05
    or (segid "   A" and resid    3 and name HD23) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid    3 and name HD23) (segid "   A" and resid    3 and name HD12)
    or (segid "   A" and resid    3 and name HD21) (segid "   A" and resid    3 and name HD11)
    or (segid "   A" and resid    3 and name HD21) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid    3 and name HD21) (segid "   A" and resid    3 and name HD12)
    or (segid "   A" and resid    3 and name HD22) (segid "   A" and resid    3 and name HD11)
    or (segid "   A" and resid    3 and name HD22) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid    3 and name HD22) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   18 and name   HA) 3.705 1.716 1.716 weight 1.000 ! spec=Noesy15deg, no=452, id=450, vol=2.043635e+05
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid   10 and name   HA) 4.046 2.047 2.047 weight 1.000 ! spec=Noesy15deg, no=453, id=451, vol=1.494050e+05
assign (segid "   A" and resid   20 and name  HA2) (segid "   A" and resid   21 and name   HA) 4.898 2.998 2.998 weight 1.000 ! spec=Noesy15deg, no=455, id=453, vol=8.680650e+04
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   22 and name   HA) 4.012 2.012 2.012 weight 1.000 ! spec=Noesy15deg, no=457, id=455, vol=1.418080e+05
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    9 and name  HB1) 3.659 1.673 1.673 weight 1.000 ! spec=Noesy15deg, no=459, id=457, vol=1.893342e+05
    or (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    9 and name  HB1)
    or (segid "   A" and resid    7 and name  HB3) (segid "   A" and resid    9 and name  HB1)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid    3 and name   HN) 3.569 1.592 1.592 weight 1.000 ! spec=Noesy15deg, no=460, id=458, vol=2.159050e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   10 and name   HN) 3.208 1.286 1.286 weight 1.000 ! spec=Noesy15deg, no=461, id=459, vol=4.793595e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HN) 3.505 1.536 1.536 weight 1.000 ! spec=Noesy15deg, no=462, id=460, vol=2.392462e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   28 and name   HN) 2.617 0.856 0.856 weight 1.000 ! spec=Noesy15deg, no=463, id=461, vol=1.891659e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name   HN) 2.383 0.710 0.710 weight 1.000 ! spec=Noesy15deg, no=464, id=462, vol=2.540852e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   27 and name   HN) 2.851 1.016 1.016 weight 1.000 ! spec=Noesy15deg, no=465, id=463, vol=8.102552e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HN) 2.307 0.665 0.665 weight 1.000 ! spec=Noesy15deg, no=466, id=464, vol=2.953094e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name   HN) 2.437 0.742 0.742 weight 1.000 ! spec=Noesy15deg, no=467, id=465, vol=2.062200e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   23 and name   HN) 2.604 0.848 0.848 weight 1.000 ! spec=Noesy15deg, no=468, id=466, vol=1.393662e+06
assign (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    4 and name   HN) 2.776 0.963 0.963 weight 1.000 ! spec=Noesy15deg, no=469, id=467, vol=8.357080e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   28 and name   HN) 3.488 1.521 1.521 weight 1.000 ! spec=Noesy15deg, no=470, id=468, vol=2.996750e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   27 and name   HN) 3.462 1.498 1.498 weight 1.000 ! spec=Noesy15deg, no=471, id=469, vol=2.355892e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HN) 3.651 1.666 1.666 weight 1.000 ! spec=Noesy15deg, no=472, id=470, vol=1.915360e+05
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    3 and name   HN) 3.620 1.638 1.638 weight 1.000 ! spec=Noesy15deg, no=473, id=471, vol=1.858690e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HN) 3.313 1.372 1.372 weight 1.000 ! spec=Noesy15deg, no=474, id=472, vol=3.152680e+05
assign (segid "   A" and resid    4 and name  HD2) (segid "   A" and resid    5 and name   HN) 3.381 1.429 1.429 weight 1.000 ! spec=Noesy15deg, no=476, id=474, vol=2.738828e+05
assign (segid "   A" and resid   14 and name HE22) (segid "   A" and resid   10 and name   HN) 3.810 1.815 1.815 weight 1.000 ! spec=Noesy15deg, no=477, id=475, vol=1.451340e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid   19 and name   HN) 3.835 1.839 1.839 weight 1.000 ! spec=Noesy15deg, no=478, id=476, vol=1.303578e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   24 and name   HN) 3.572 1.595 1.595 weight 1.000 ! spec=Noesy15deg, no=479, id=477, vol=2.580375e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name   HN) 3.703 1.714 1.714 weight 1.000 ! spec=Noesy15deg, no=480, id=478, vol=1.697438e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name   HN) 2.484 0.771 0.771 weight 1.000 ! spec=Noesy15deg, no=481, id=479, vol=2.025398e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name   HN) 3.632 1.649 1.649 weight 1.000 ! spec=Noesy15deg, no=482, id=480, vol=2.061825e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name   HN) 3.636 1.653 1.653 weight 1.000 ! spec=Noesy15deg, no=483, id=481, vol=2.008358e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   27 and name   HN) 3.344 1.398 1.398 weight 1.000 ! spec=Noesy15deg, no=484, id=482, vol=3.835848e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   27 and name   HN) 3.493 1.525 1.525 weight 1.000 ! spec=Noesy15deg, no=485, id=483, vol=3.065880e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   24 and name   HN) 3.744 1.753 1.753 weight 1.000 ! spec=Noesy15deg, no=486, id=484, vol=2.053112e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   25 and name   HN) 3.720 1.730 1.730 weight 1.000 ! spec=Noesy15deg, no=488, id=486, vol=1.598810e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   25 and name   HA) 2.920 1.066 1.066 weight 1.000 ! spec=Noesy15deg, no=489, id=487, vol=7.550300e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB2) 3.084 1.189 1.189 weight 1.000 ! spec=Noesy15deg, no=490, id=488, vol=5.905642e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG23) 3.240 1.312 1.312 weight 1.000 ! spec=Noesy15deg, no=494, id=492, vol=4.925638e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG22)
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   22 and name   HA) 2.493 0.777 0.777 weight 1.000 ! spec=Noesy15deg, no=495, id=493, vol=2.676000e+06
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name   HA) 2.432 0.739 0.739 weight 1.000 ! spec=Noesy15deg, no=496, id=494, vol=2.664068e+06
assign (segid "   A" and resid   28 and name HG21) (segid "   A" and resid   28 and name   HA) 2.229 0.621 0.621 weight 1.000 ! spec=Noesy15deg, no=497, id=495, vol=3.784790e+06
    or (segid "   A" and resid   28 and name HG22) (segid "   A" and resid   28 and name   HA)
    or (segid "   A" and resid   28 and name HG23) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    2 and name  HB1) 1.911 0.457 0.457 weight 1.000 ! spec=Noesy15deg, no=499, id=497, vol=1.164522e+07
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HD1) 3.727 1.736 1.736 weight 1.000 ! spec=Noesy15deg, no=502, id=500, vol=2.761115e+05
assign (segid "   A" and resid    4 and name  HE1) (segid "   A" and resid    5 and name  HB3) 3.475 1.509 1.509 weight 1.000 ! spec=Noesy15deg, no=503, id=501, vol=2.141802e+05
    or (segid "   A" and resid    4 and name  HE1) (segid "   A" and resid    5 and name  HB1)
    or (segid "   A" and resid    4 and name  HE1) (segid "   A" and resid    5 and name  HB2)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   26 and name   HA) 3.836 1.839 1.839 weight 1.000 ! spec=Noesy15deg, no=504, id=502, vol=1.452375e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid   27 and name  HB2) 3.828 1.831 1.831 weight 1.000 ! spec=Noesy15deg, no=505, id=503, vol=1.557050e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name   HN) 3.876 1.878 1.878 weight 1.000 ! spec=Noesy15deg, no=507, id=505, vol=1.284642e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB2) 2.584 0.834 0.834 weight 1.000 ! spec=Noesy15deg, no=508, id=506, vol=1.493664e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid    7 and name  HB2) 2.684 0.900 0.900 weight 1.000 ! spec=Noesy15deg, no=510, id=507, vol=1.219518e+06
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid    7 and name  HB3)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   22 and name  HB2) 3.679 1.692 1.692 weight 1.000 ! spec=Noesy15deg, no=512, id=509, vol=1.770752e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HG1) 3.565 1.589 1.589 weight 1.000 ! spec=Noesy15deg, no=513, id=510, vol=2.298735e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   27 and name   HA) 3.892 1.894 1.894 weight 1.000 ! spec=Noesy15deg, no=514, id=511, vol=1.284838e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   14 and name  HB1) 3.526 1.554 1.554 weight 1.000 ! spec=Noesy15deg, no=515, id=512, vol=2.683408e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name  HD2) 4.712 2.776 2.776 weight 1.000 ! spec=Noesy15deg, no=521, id=518, vol=9.422725e+04
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG12) 2.662 0.886 0.886 weight 1.000 ! spec=Noesy15deg, no=522, id=519, vol=1.704781e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB2) 4.217 2.223 2.223 weight 1.000 ! spec=Noesy15deg, no=523, id=520, vol=1.549760e+05
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid   17 and name  HD2) 2.465 0.759 0.759 weight 1.000 ! spec=Noesy15deg, no=527, id=524, vol=2.265918e+06
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid   17 and name  HD2)
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid   17 and name  HD2)
assign (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   17 and name  HD1) 2.591 0.839 0.839 weight 1.000 ! spec=Noesy15deg, no=529, id=526, vol=1.719306e+06
assign (segid "   A" and resid   16 and name HG11) (segid "   A" and resid   16 and name   HB) 3.268 1.335 1.335 weight 1.000 ! spec=Noesy15deg, no=531, id=528, vol=4.407385e+05
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    7 and name  HB2) 1.757 0.386 0.386 weight 1.000 ! spec=Noesy15deg, no=532, id=529, vol=1.776175e+07
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    7 and name  HB3)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB2) 2.860 1.022 1.022 weight 1.000 ! spec=Noesy15deg, no=533, id=530, vol=8.618928e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   18 and name  HB2) 3.324 1.381 1.381 weight 1.000 ! spec=Noesy15deg, no=538, id=533, vol=5.077335e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   18 and name  HB2) 2.519 0.793 0.793 weight 1.000 ! spec=Noesy15deg, no=539, id=534, vol=2.011929e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name   HN) 3.118 1.215 1.215 weight 1.000 ! spec=Noesy15deg, no=542, id=537, vol=4.408580e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   14 and name HE21) 2.869 1.029 1.029 weight 1.000 ! spec=Noesy15deg, no=545, id=540, vol=7.964442e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   14 and name HE21) 3.271 1.338 1.338 weight 1.000 ! spec=Noesy15deg, no=551, id=545, vol=3.466508e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   18 and name  HB1) 3.684 1.696 1.696 weight 1.000 ! spec=Noesy15deg, no=562, id=553, vol=2.434192e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name   HA) 2.415 0.729 0.729 weight 1.000 ! spec=Noesy15deg, no=563, id=554, vol=2.291709e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   22 and name  HB1) 3.951 1.951 1.951 weight 1.000 ! spec=Noesy15deg, no=566, id=557, vol=1.227070e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   14 and name  HG2) 3.572 1.595 1.595 weight 1.000 ! spec=Noesy15deg, no=567, id=558, vol=2.172520e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.382 0.709 0.709 weight 1.000 ! spec=Noesy15deg, no=569, id=560, vol=2.856287e+06
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB3)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   14 and name   HA) 3.409 1.452 1.452 weight 1.000 ! spec=Noesy15deg, no=572, id=563, vol=3.938838e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG11) 2.973 1.105 1.105 weight 1.000 ! spec=Noesy15deg, no=575, id=565, vol=9.386050e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG12) 3.165 1.252 1.252 weight 1.000 ! spec=Noesy15deg, no=579, id=569, vol=6.721735e+05
assign (segid "   A" and resid   14 and name HE21) (segid "   A" and resid   22 and name  HB2) 3.679 1.692 1.692 weight 1.000 ! spec=Noesy15deg, no=583, id=572, vol=1.590090e+05
assign (segid "   A" and resid   14 and name HE21) (segid "   A" and resid   17 and name   HA) 2.822 0.995 0.995 weight 1.000 ! spec=Noesy15deg, no=584, id=573, vol=8.385372e+05
assign (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid    2 and name   HA) 3.085 1.190 1.190 weight 1.000 ! spec=Noesy15deg, no=586, id=574, vol=5.353318e+05
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid    2 and name   HA) 2.283 0.651 0.651 weight 1.000 ! spec=Noesy15deg, no=591, id=577, vol=3.469930e+06
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid    2 and name   HA)
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid    2 and name   HA)
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name  HD1) 3.125 1.221 1.221 weight 1.000 ! spec=Noesy15deg, no=611, id=589, vol=6.504632e+05
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid   17 and name  HD2) 3.637 1.654 1.654 weight 1.000 ! spec=Noesy15deg, no=623, id=599, vol=1.911670e+05
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           H1       ARG   1  12.067  -2.834  -0.176
    2    H2   ARG   1           H2       ARG   1  11.228  -2.567  -1.541
    3    H3   ARG   1           H3       ARG   1  10.699  -3.664  -0.468
    4    HA   ARG   1           HA       ARG   1  10.279  -2.000   1.160
    5    HB2  ARG   1           HB2      ARG   1  11.979  -0.434   0.584
    6    HB3  ARG   1           HB3      ARG   1  11.313  -0.190  -1.021
    7    HG2  ARG   1           HG2      ARG   1   9.280   0.778   0.073
    8    HG3  ARG   1           HG3      ARG   1  10.146   0.691   1.610
    9    HD2  ARG   1           HD2      ARG   1  11.892   2.136   0.719
   10    HD3  ARG   1           HD3      ARG   1  11.065   2.197  -0.834
   11    HE   ARG   1           HE       ARG   1   9.555   3.119   1.476
   12   HH11  ARG   1          HH11      ARG   1  11.563   3.956  -1.260
   13   HH12  ARG   1          HH12      ARG   1  11.022   5.600  -1.324
   14   HH21  ARG   1          HH21      ARG   1   8.837   5.274   1.412
   15   HH22  ARG   1          HH22      ARG   1   9.463   6.357   0.208
   16    H    CYS   2           H        CYS   2   8.214  -2.382   1.201
   17    HA   CYS   2           HA       CYS   2   6.371  -0.972  -0.361
   18    HB2  CYS   2           HB2      CYS   2   5.351  -2.756  -1.688
   19    HB3  CYS   2           HB3      CYS   2   7.033  -2.544  -2.149
   20    H    LEU   3           H        LEU   3   4.257  -1.266   0.322
   21    HA   LEU   3           HA       LEU   3   4.026  -2.251   3.012
   22    HB2  LEU   3           HB2      LEU   3   2.026  -0.960   1.158
   23    HB3  LEU   3           HB3      LEU   3   1.751  -1.284   2.856
   24    HG   LEU   3           HG       LEU   3   3.844   0.596   1.755
   25   HD11  LEU   3          HD11      LEU   3   1.220   1.176   3.115
   26   HD12  LEU   3          HD12      LEU   3   1.588   1.441   1.410
   27   HD13  LEU   3          HD13      LEU   3   2.430   2.372   2.651
   28   HD21  LEU   3          HD21      LEU   3   4.534  -0.381   3.862
   29   HD22  LEU   3          HD22      LEU   3   2.980   0.035   4.583
   30   HD23  LEU   3          HD23      LEU   3   4.090   1.311   4.085
   31    H    HIS   4           H        HIS   4   3.055  -4.097   3.648
   32    HA   HIS   4           HA       HIS   4   2.279  -5.996   1.624
   33    HB2  HIS   4           HB2      HIS   4   2.190  -7.626   3.359
   34    HB3  HIS   4           HB3      HIS   4   3.575  -6.609   3.711
   35    HD1  HIS   4           HD1      HIS   4   1.114  -8.281   5.468
   36    HD2  HIS   4           HD2      HIS   4   2.438  -4.353   5.560
   37    HE1  HIS   4           HE1      HIS   4   0.408  -7.388   7.709
   38    HE2  HIS   4           HE2      HIS   4   1.063  -4.951   7.665
   39    H    ALA   5           H        ALA   5   0.256  -7.429   2.480
   40    HA   ALA   5           HA       ALA   5  -2.009  -5.900   1.855
   41    HB1  ALA   5           HB1      ALA   5  -1.826  -8.296   1.370
   42    HB2  ALA   5           HB2      ALA   5  -3.285  -7.915   2.283
   43    HB3  ALA   5           HB3      ALA   5  -1.902  -8.644   3.097
   44    H    GLY   6           H        GLY   6  -3.255  -4.710   3.036
   45    HA2  GLY   6           HA2      GLY   6  -4.679  -4.316   4.902
   46    HA3  GLY   6           HA3      GLY   6  -3.617  -5.320   5.889
   47    H    ALA   7           H        ALA   7  -2.114  -3.013   3.825
   48    HA   ALA   7           HA       ALA   7  -1.432  -1.413   6.212
   49    HB1  ALA   7           HB1      ALA   7   0.455  -2.337   4.966
   50    HB2  ALA   7           HB2      ALA   7   0.452  -0.574   4.898
   51    HB3  ALA   7           HB3      ALA   7  -0.098  -1.511   3.509
   52    H    ALA   8           H        ALA   8  -2.096   0.704   6.392
   53    HA   ALA   8           HA       ALA   8  -4.186   1.567   4.714
   54    HB1  ALA   8           HB1      ALA   8  -3.967   2.245   7.070
   55    HB2  ALA   8           HB2      ALA   8  -4.207   3.608   5.975
   56    HB3  ALA   8           HB3      ALA   8  -2.600   3.267   6.624
   57    H    CYS   9           H        CYS   9  -4.145   2.437   2.795
   58    HA   CYS   9           HA       CYS   9  -2.157   4.447   2.123
   59    HB2  CYS   9           HB2      CYS   9  -1.303   3.409   0.186
   60    HB3  CYS   9           HB3      CYS   9  -1.277   2.144   1.407
   61    H    SER  10           H        SER  10  -2.670   5.031  -0.399
   62    HA   SER  10           HA       SER  10  -4.121   5.948  -1.894
   63    HB2  SER  10           HB2      SER  10  -6.315   4.424  -0.468
   64    HB3  SER  10           HB3      SER  10  -6.431   5.187  -2.054
   65    HG   SER  10           HG       SER  10  -4.587   3.134  -1.401
   66    H    GLY  11           H        GLY  11  -3.738   6.730   1.079
   67    HA2  GLY  11           HA2      GLY  11  -5.939   8.657   1.316
   68    HA3  GLY  11           HA3      GLY  11  -4.822   8.211   2.598
   69    HA   PRO  12           HA       PRO  12  -3.716  12.573   1.138
   70    HB2  PRO  12           HB2      PRO  12  -2.678  12.185   3.920
   71    HB3  PRO  12           HB3      PRO  12  -3.357  13.633   3.168
   72    HG2  PRO  12           HG2      PRO  12  -4.816  12.128   4.818
   73    HG3  PRO  12           HG3      PRO  12  -5.533  12.898   3.393
   74    HD2  PRO  12           HD2      PRO  12  -4.920  10.048   3.887
   75    HD3  PRO  12           HD3      PRO  12  -6.110  10.780   2.797
   76    H    ILE  13           H        ILE  13  -1.657  13.400   0.767
   77    HA   ILE  13           HA       ILE  13  -0.051  12.169  -0.779
   78    HB   ILE  13           HB       ILE  13   0.457  14.419  -0.153
   79   HG12  ILE  13          HG12      ILE  13   2.874  12.647   0.275
   80   HG13  ILE  13          HG13      ILE  13   2.218  13.123  -1.286
   81   HG21  ILE  13          HG21      ILE  13   0.122  14.249   2.247
   82   HG22  ILE  13          HG22      ILE  13   1.677  14.992   1.879
   83   HG23  ILE  13          HG23      ILE  13   1.604  13.309   2.399
   84   HD11  ILE  13          HD11      ILE  13   4.155  14.448  -0.752
   85   HD12  ILE  13          HD12      ILE  13   3.425  14.952   0.773
   86   HD13  ILE  13          HD13      ILE  13   2.715  15.466  -0.758
   87    H    GLN  14           H        GLN  14   0.126  10.007  -0.619
   88    HA   GLN  14           HA       GLN  14   1.966   8.981   1.431
   89    HB2  GLN  14           HB2      GLN  14  -0.186   8.060   1.914
   90    HB3  GLN  14           HB3      GLN  14  -0.481   7.695   0.221
   91    HG2  GLN  14           HG2      GLN  14   1.902   6.371   1.155
   92    HG3  GLN  14           HG3      GLN  14   0.520   5.979   2.171
   93   HE21  GLN  14          HE21      GLN  14   2.020   4.310   0.282
   94   HE22  GLN  14          HE22      GLN  14   0.876   3.711  -0.871
   95    H    LYS  15           H        LYS  15   3.792   9.253   0.088
   96    HA   LYS  15           HA       LYS  15   3.787   7.486  -2.240
   97    HB2  LYS  15           HB2      LYS  15   6.177   8.310  -2.494
   98    HB3  LYS  15           HB3      LYS  15   4.922   9.525  -2.691
   99    HG2  LYS  15           HG2      LYS  15   5.330  10.376  -0.478
  100    HG3  LYS  15           HG3      LYS  15   6.488   9.086  -0.160
  101    HD2  LYS  15           HD2      LYS  15   7.669  11.124  -0.691
  102    HD3  LYS  15           HD3      LYS  15   7.903   9.951  -1.986
  103    HE2  LYS  15           HE2      LYS  15   6.215  11.067  -3.331
  104    HE3  LYS  15           HE3      LYS  15   5.905  12.210  -2.023
  105    HZ1  LYS  15           HZ1      LYS  15   7.357  13.159  -3.646
  106    HZ2  LYS  15           HZ2      LYS  15   8.420  11.938  -3.507
  107    HZ3  LYS  15           HZ3      LYS  15   8.187  12.954  -2.260
  108    H    ILE  16           H        ILE  16   3.777   5.506  -1.569
  109    HA   ILE  16           HA       ILE  16   6.153   4.229  -0.683
  110    HB   ILE  16           HB       ILE  16   3.747   3.804   1.106
  111   HG12  ILE  16          HG12      ILE  16   6.302   5.284   1.736
  112   HG13  ILE  16          HG13      ILE  16   4.675   5.946   1.741
  113   HG21  ILE  16          HG21      ILE  16   5.239   2.361   2.376
  114   HG22  ILE  16          HG22      ILE  16   6.575   2.764   1.301
  115   HG23  ILE  16          HG23      ILE  16   5.197   1.852   0.685
  116   HD11  ILE  16          HD11      ILE  16   5.473   5.544   3.992
  117   HD12  ILE  16          HD12      ILE  16   5.718   3.840   3.610
  118   HD13  ILE  16          HD13      ILE  16   4.090   4.517   3.617
  119    HA   PRO  17           HA       PRO  17   3.362   2.015  -3.479
  120    HB2  PRO  17           HB2      PRO  17   5.248   0.390  -4.607
  121    HB3  PRO  17           HB3      PRO  17   4.961   2.050  -5.137
  122    HG2  PRO  17           HG2      PRO  17   7.107   0.967  -3.368
  123    HG3  PRO  17           HG3      PRO  17   7.205   2.231  -4.606
  124    HD2  PRO  17           HD2      PRO  17   7.069   2.743  -1.924
  125    HD3  PRO  17           HD3      PRO  17   6.479   3.862  -3.166
  126    H    CYS  18           H        CYS  18   2.127   0.430  -2.694
  127    HA   CYS  18           HA       CYS  18   3.172  -1.460  -0.778
  128    HB2  CYS  18           HB2      CYS  18   0.468  -1.645  -2.058
  129    HB3  CYS  18           HB3      CYS  18   0.977  -2.162  -0.458
  130    H    CYS  19           H        CYS  19   3.353  -3.725  -1.091
  131    HA   CYS  19           HA       CYS  19   3.456  -4.556  -3.872
  132    HB2  CYS  19           HB2      CYS  19   3.548  -6.769  -2.127
  133    HB3  CYS  19           HB3      CYS  19   4.903  -6.040  -2.975
  134    H    GLY  20           H        GLY  20   1.306  -3.997  -4.293
  135    HA2  GLY  20           HA2      GLY  20  -0.704  -5.868  -4.133
  136    HA3  GLY  20           HA3      GLY  20  -0.872  -4.870  -2.692
  137    H    THR  21           H        THR  21  -2.968  -4.702  -4.213
  138    HA   THR  21           HA       THR  21  -2.720  -2.272  -5.818
  139    HB   THR  21           HB       THR  21  -5.230  -3.771  -5.039
  140    HG1  THR  21           HG1      THR  21  -3.922  -3.967  -7.554
  141   HG21  THR  21          HG21      THR  21  -6.197  -2.641  -6.991
  142   HG22  THR  21          HG22      THR  21  -4.672  -1.793  -7.249
  143   HG23  THR  21          HG23      THR  21  -5.616  -1.486  -5.792
  144    H    CYS  22           H        CYS  22  -3.275  -0.235  -5.010
  145    HA   CYS  22           HA       CYS  22  -3.820  -0.060  -2.181
  146    HB2  CYS  22           HB2      CYS  22  -2.858   1.717  -4.286
  147    HB3  CYS  22           HB3      CYS  22  -3.983   2.503  -3.186
  148    H    SER  23           H        SER  23  -5.784   0.069  -1.296
  149    HA   SER  23           HA       SER  23  -7.981   1.363  -2.653
  150    HB2  SER  23           HB2      SER  23  -7.858  -1.008  -3.601
  151    HB3  SER  23           HB3      SER  23  -8.273  -1.572  -1.985
  152    HG   SER  23           HG       SER  23  -9.862  -0.453  -3.907
  153    H    ARG  24           H        ARG  24  -9.500   2.061  -1.225
  154    HA   ARG  24           HA       ARG  24 -10.455   2.657   0.741
  155    HB2  ARG  24           HB2      ARG  24 -11.496   0.826   1.943
  156    HB3  ARG  24           HB3      ARG  24 -11.584   0.548   0.211
  157    HG2  ARG  24           HG2      ARG  24  -9.734  -1.027   0.355
  158    HG3  ARG  24           HG3      ARG  24  -9.605  -0.728   2.087
  159    HD2  ARG  24           HD2      ARG  24 -10.800  -2.755   1.794
  160    HD3  ARG  24           HD3      ARG  24 -11.955  -1.526   2.311
  161    HE   ARG  24           HE       ARG  24 -11.963  -1.564  -0.471
  162   HH11  ARG  24          HH11      ARG  24 -12.819  -3.687   2.178
  163   HH12  ARG  24          HH12      ARG  24 -14.047  -4.518   1.277
  164   HH21  ARG  24          HH21      ARG  24 -13.576  -2.653  -1.657
  165   HH22  ARG  24          HH22      ARG  24 -14.479  -3.928  -0.907
  166    H    ARG  25           H        ARG  25  -7.806   3.202   1.084
  167    HA   ARG  25           HA       ARG  25  -6.189   3.533   2.632
  168    HB2  ARG  25           HB2      ARG  25  -8.612   3.116   4.316
  169    HB3  ARG  25           HB3      ARG  25  -7.045   3.153   5.111
  170    HG2  ARG  25           HG2      ARG  25  -6.605   5.352   4.242
  171    HG3  ARG  25           HG3      ARG  25  -8.109   5.319   3.316
  172    HD2  ARG  25           HD2      ARG  25  -9.397   5.221   5.371
  173    HD3  ARG  25           HD3      ARG  25  -7.914   5.163   6.321
  174    HE   ARG  25           HE       ARG  25  -8.031   7.465   4.637
  175   HH11  ARG  25          HH11      ARG  25  -9.183   6.146   7.670
  176   HH12  ARG  25          HH12      ARG  25  -9.361   7.698   8.423
  177   HH21  ARG  25          HH21      ARG  25  -8.265   9.514   5.635
  178   HH22  ARG  25          HH22      ARG  25  -8.844   9.610   7.267
  179    H    LYS  26           H        LYS  26  -6.451   0.942   1.444
  180    HA   LYS  26           HA       LYS  26  -4.793  -0.515   3.353
  181    HB2  LYS  26           HB2      LYS  26  -7.086  -1.779   1.857
  182    HB3  LYS  26           HB3      LYS  26  -5.914  -2.629   2.835
  183    HG2  LYS  26           HG2      LYS  26  -6.755  -1.668   4.838
  184    HG3  LYS  26           HG3      LYS  26  -7.785  -0.554   3.935
  185    HD2  LYS  26           HD2      LYS  26  -9.184  -2.312   3.185
  186    HD3  LYS  26           HD3      LYS  26  -8.054  -3.546   3.728
  187    HE2  LYS  26           HE2      LYS  26  -8.460  -2.808   6.065
  188    HE3  LYS  26           HE3      LYS  26  -9.675  -1.684   5.455
  189    HZ1  LYS  26           HZ1      LYS  26  -9.767  -4.597   5.140
  190    HZ2  LYS  26           HZ2      LYS  26 -10.897  -3.556   4.614
  191    HZ3  LYS  26           HZ3      LYS  26 -10.647  -3.742   6.211
  192    H    CYS  27           H        CYS  27  -3.103  -1.437   2.393
  193    HA   CYS  27           HA       CYS  27  -2.915  -1.620  -0.483
  194    HB2  CYS  27           HB2      CYS  27  -1.058  -2.728   1.636
  195    HB3  CYS  27           HB3      CYS  27  -0.700  -2.487  -0.061
  196    H    THR  28           H        THR  28  -3.618  -3.357  -1.564
  197    HA   THR  28           HA       THR  28  -4.589  -5.599   0.072
  198    HB   THR  28           HB       THR  28  -6.265  -6.017  -1.626
  199    HG1  THR  28           HG1      THR  28  -4.661  -5.011  -3.293
  200   HG21  THR  28          HG21      THR  28  -6.108  -3.073  -0.960
  201   HG22  THR  28          HG22      THR  28  -6.856  -4.329   0.027
  202   HG23  THR  28          HG23      THR  28  -7.549  -3.907  -1.540
  Start of MODEL    2
    1    H1   ARG   1           H1       ARG   1  11.139  -1.020  -1.915
    2    H2   ARG   1           H2       ARG   1  10.958  -2.524  -1.330
    3    H3   ARG   1           H3       ARG   1  12.136  -1.567  -0.750
    4    HA   ARG   1           HA       ARG   1  10.346  -1.706   0.810
    5    HB2  ARG   1           HB2      ARG   1  11.585   0.341   0.836
    6    HB3  ARG   1           HB3      ARG   1  10.720   0.957  -0.563
    7    HG2  ARG   1           HG2      ARG   1   8.631   0.866   0.849
    8    HG3  ARG   1           HG3      ARG   1   9.681   0.548   2.228
    9    HD2  ARG   1           HD2      ARG   1   9.157   2.904   2.114
   10    HD3  ARG   1           HD3      ARG   1  10.871   2.655   1.782
   11    HE   ARG   1           HE       ARG   1   9.785   2.683  -0.686
   12   HH11  ARG   1          HH11      ARG   1   9.515   4.872   2.039
   13   HH12  ARG   1          HH12      ARG   1   9.276   6.273   1.043
   14   HH21  ARG   1          HH21      ARG   1   9.474   4.523  -1.991
   15   HH22  ARG   1          HH22      ARG   1   9.259   6.078  -1.249
   16    H    CYS   2           H        CYS   2   8.334  -2.369   0.889
   17    HA   CYS   2           HA       CYS   2   6.299  -0.926  -0.529
   18    HB2  CYS   2           HB2      CYS   2   5.354  -2.772  -1.758
   19    HB3  CYS   2           HB3      CYS   2   7.032  -2.569  -2.233
   20    H    LEU   3           H        LEU   3   4.264  -1.237   0.261
   21    HA   LEU   3           HA       LEU   3   4.113  -2.232   2.963
   22    HB2  LEU   3           HB2      LEU   3   2.097  -0.880   1.172
   23    HB3  LEU   3           HB3      LEU   3   1.822  -1.264   2.858
   24    HG   LEU   3           HG       LEU   3   3.964   0.615   1.858
   25   HD11  LEU   3          HD11      LEU   3   1.286   1.226   3.095
   26   HD12  LEU   3          HD12      LEU   3   1.739   1.502   1.413
   27   HD13  LEU   3          HD13      LEU   3   2.539   2.403   2.703
   28   HD21  LEU   3          HD21      LEU   3   4.093   1.296   4.213
   29   HD22  LEU   3          HD22      LEU   3   4.536  -0.394   3.981
   30   HD23  LEU   3          HD23      LEU   3   2.950   0.021   4.631
   31    H    HIS   4           H        HIS   4   2.940  -3.999   3.651
   32    HA   HIS   4           HA       HIS   4   2.159  -5.859   1.553
   33    HB2  HIS   4           HB2      HIS   4   2.290  -7.581   3.125
   34    HB3  HIS   4           HB3      HIS   4   3.559  -6.483   3.630
   35    HD1  HIS   4           HD1      HIS   4   0.886  -8.427   4.958
   36    HD2  HIS   4           HD2      HIS   4   2.500  -4.709   5.840
   37    HE1  HIS   4           HE1      HIS   4   0.180  -7.928   7.321
   38    HE2  HIS   4           HE2      HIS   4   1.099  -5.634   7.805
   39    H    ALA   5           H        ALA   5   0.178  -7.336   2.485
   40    HA   ALA   5           HA       ALA   5  -2.091  -5.794   1.923
   41    HB1  ALA   5           HB1      ALA   5  -1.993  -8.534   3.174
   42    HB2  ALA   5           HB2      ALA   5  -1.893  -8.206   1.445
   43    HB3  ALA   5           HB3      ALA   5  -3.361  -7.804   2.334
   44    H    GLY   6           H        GLY   6  -3.240  -4.547   3.138
   45    HA2  GLY   6           HA2      GLY   6  -4.686  -4.255   5.037
   46    HA3  GLY   6           HA3      GLY   6  -3.532  -5.173   6.004
   47    H    ALA   7           H        ALA   7  -2.069  -2.912   3.901
   48    HA   ALA   7           HA       ALA   7  -1.494  -1.221   6.261
   49    HB1  ALA   7           HB1      ALA   7   0.455  -0.432   5.010
   50    HB2  ALA   7           HB2      ALA   7  -0.030  -1.417   3.630
   51    HB3  ALA   7           HB3      ALA   7   0.448  -2.191   5.140
   52    H    ALA   8           H        ALA   8  -2.396   0.779   6.395
   53    HA   ALA   8           HA       ALA   8  -4.367   1.538   4.571
   54    HB1  ALA   8           HB1      ALA   8  -3.024   3.432   6.477
   55    HB2  ALA   8           HB2      ALA   8  -4.231   2.241   6.963
   56    HB3  ALA   8           HB3      ALA   8  -4.664   3.517   5.824
   57    H    CYS   9           H        CYS   9  -4.309   2.434   2.663
   58    HA   CYS   9           HA       CYS   9  -2.281   4.401   1.979
   59    HB2  CYS   9           HB2      CYS   9  -1.374   3.272   0.126
   60    HB3  CYS   9           HB3      CYS   9  -1.432   2.044   1.386
   61    H    SER  10           H        SER  10  -2.710   5.013  -0.506
   62    HA   SER  10           HA       SER  10  -4.105   6.019  -2.002
   63    HB2  SER  10           HB2      SER  10  -6.375   4.437  -0.768
   64    HB3  SER  10           HB3      SER  10  -6.369   5.233  -2.341
   65    HG   SER  10           HG       SER  10  -4.659   3.106  -1.564
   66    H    GLY  11           H        GLY  11  -3.831   6.601   1.013
   67    HA2  GLY  11           HA2      GLY  11  -6.044   8.506   1.313
   68    HA3  GLY  11           HA3      GLY  11  -4.961   7.975   2.595
   69    HA   PRO  12           HA       PRO  12  -3.701  12.370   1.399
   70    HB2  PRO  12           HB2      PRO  12  -2.863  11.895   4.229
   71    HB3  PRO  12           HB3      PRO  12  -3.477  13.369   3.473
   72    HG2  PRO  12           HG2      PRO  12  -5.051  11.843   4.995
   73    HG3  PRO  12           HG3      PRO  12  -5.672  12.653   3.547
   74    HD2  PRO  12           HD2      PRO  12  -5.094   9.786   4.003
   75    HD3  PRO  12           HD3      PRO  12  -6.239  10.550   2.886
   76    H    ILE  13           H        ILE  13  -1.563  13.195   1.379
   77    HA   ILE  13           HA       ILE  13   0.200  12.076  -0.080
   78    HB   ILE  13           HB       ILE  13   0.692  14.221   0.840
   79   HG12  ILE  13          HG12      ILE  13   2.946  12.255   1.325
   80   HG13  ILE  13          HG13      ILE  13   2.549  13.039  -0.198
   81   HG21  ILE  13          HG21      ILE  13   1.455  12.812   3.387
   82   HG22  ILE  13          HG22      ILE  13   0.030  13.818   3.144
   83   HG23  ILE  13          HG23      ILE  13   1.639  14.536   3.063
   84   HD11  ILE  13          HD11      ILE  13   3.122  15.203   0.753
   85   HD12  ILE  13          HD12      ILE  13   4.472  14.074   0.862
   86   HD13  ILE  13          HD13      ILE  13   3.503  14.430   2.291
   87    H    GLN  14           H        GLN  14   0.685  10.039  -0.289
   88    HA   GLN  14           HA       GLN  14   2.179   8.718   1.848
   89    HB2  GLN  14           HB2      GLN  14  -0.028   7.832   2.159
   90    HB3  GLN  14           HB3      GLN  14  -0.246   7.603   0.431
   91    HG2  GLN  14           HG2      GLN  14   2.047   6.131   1.219
   92    HG3  GLN  14           HG3      GLN  14   0.750   5.770   2.352
   93   HE21  GLN  14          HE21      GLN  14   1.989   4.076   0.300
   94   HE22  GLN  14          HE22      GLN  14   0.717   3.564  -0.757
   95    H    LYS  15           H        LYS  15   4.018   9.180   0.486
   96    HA   LYS  15           HA       LYS  15   4.012   7.619  -1.982
   97    HB2  LYS  15           HB2      LYS  15   6.353   8.552  -2.230
   98    HB3  LYS  15           HB3      LYS  15   5.064   9.745  -2.231
   99    HG2  LYS  15           HG2      LYS  15   5.547  10.283   0.099
  100    HG3  LYS  15           HG3      LYS  15   6.840   9.083   0.107
  101    HD2  LYS  15           HD2      LYS  15   8.034  10.328  -1.606
  102    HD3  LYS  15           HD3      LYS  15   6.721  11.505  -1.687
  103    HE2  LYS  15           HE2      LYS  15   7.126  12.131   0.635
  104    HE3  LYS  15           HE3      LYS  15   8.415  10.934   0.741
  105    HZ1  LYS  15           HZ1      LYS  15   9.599  12.171  -0.940
  106    HZ2  LYS  15           HZ2      LYS  15   9.285  13.119   0.341
  107    HZ3  LYS  15           HZ3      LYS  15   8.411  13.281  -1.018
  108    H    ILE  16           H        ILE  16   4.018   5.606  -1.447
  109    HA   ILE  16           HA       ILE  16   6.373   4.213  -0.778
  110    HB   ILE  16           HB       ILE  16   4.101   3.898   1.215
  111   HG12  ILE  16          HG12      ILE  16   6.873   5.023   1.581
  112   HG13  ILE  16          HG13      ILE  16   5.343   5.836   1.874
  113   HG21  ILE  16          HG21      ILE  16   5.177   1.797   0.596
  114   HG22  ILE  16          HG22      ILE  16   5.545   2.224   2.268
  115   HG23  ILE  16          HG23      ILE  16   6.753   2.472   1.008
  116   HD11  ILE  16          HD11      ILE  16   6.431   3.517   3.440
  117   HD12  ILE  16          HD12      ILE  16   4.892   4.329   3.731
  118   HD13  ILE  16          HD13      ILE  16   6.408   5.204   3.953
  119    HA   PRO  17           HA       PRO  17   3.305   2.135  -3.409
  120    HB2  PRO  17           HB2      PRO  17   5.059   0.467  -4.684
  121    HB3  PRO  17           HB3      PRO  17   4.762   2.134  -5.186
  122    HG2  PRO  17           HG2      PRO  17   7.029   0.999  -3.616
  123    HG3  PRO  17           HG3      PRO  17   7.039   2.284  -4.836
  124    HD2  PRO  17           HD2      PRO  17   7.141   2.736  -2.137
  125    HD3  PRO  17           HD3      PRO  17   6.490   3.900  -3.307
  126    H    CYS  18           H        CYS  18   2.111   0.447  -2.752
  127    HA   CYS  18           HA       CYS  18   3.171  -1.417  -0.816
  128    HB2  CYS  18           HB2      CYS  18   0.480  -1.640  -2.110
  129    HB3  CYS  18           HB3      CYS  18   0.989  -2.154  -0.510
  130    H    CYS  19           H        CYS  19   3.385  -3.677  -1.124
  131    HA   CYS  19           HA       CYS  19   3.435  -4.540  -3.895
  132    HB2  CYS  19           HB2      CYS  19   3.610  -6.735  -2.168
  133    HB3  CYS  19           HB3      CYS  19   4.949  -5.953  -2.990
  134    H    GLY  20           H        GLY  20   1.273  -4.023  -4.286
  135    HA2  GLY  20           HA2      GLY  20  -0.706  -5.920  -4.024
  136    HA3  GLY  20           HA3      GLY  20  -0.864  -4.870  -2.617
  137    H    THR  21           H        THR  21  -2.990  -4.796  -4.123
  138    HA   THR  21           HA       THR  21  -2.786  -2.412  -5.805
  139    HB   THR  21           HB       THR  21  -5.256  -3.933  -4.943
  140    HG1  THR  21           HG1      THR  21  -3.349  -4.825  -6.468
  141   HG21  THR  21          HG21      THR  21  -4.803  -2.019  -7.232
  142   HG22  THR  21          HG22      THR  21  -5.684  -1.656  -5.750
  143   HG23  THR  21          HG23      THR  21  -6.307  -2.866  -6.870
  144    H    CYS  22           H        CYS  22  -3.559  -0.361  -5.116
  145    HA   CYS  22           HA       CYS  22  -3.923  -0.137  -2.238
  146    HB2  CYS  22           HB2      CYS  22  -2.893   1.575  -4.356
  147    HB3  CYS  22           HB3      CYS  22  -4.015   2.422  -3.299
  148    H    SER  23           H        SER  23  -5.915  -0.280  -1.460
  149    HA   SER  23           HA       SER  23  -8.098   1.123  -2.790
  150    HB2  SER  23           HB2      SER  23  -7.877  -1.304  -3.678
  151    HB3  SER  23           HB3      SER  23  -8.446  -1.788  -2.085
  152    HG   SER  23           HG       SER  23 -10.186  -1.584  -3.523
  153    H    ARG  24           H        ARG  24  -9.471   1.979  -1.310
  154    HA   ARG  24           HA       ARG  24 -10.582   2.396   0.636
  155    HB2  ARG  24           HB2      ARG  24 -10.173  -0.534   1.230
  156    HB3  ARG  24           HB3      ARG  24 -11.450   0.508   1.836
  157    HG2  ARG  24           HG2      ARG  24 -12.454   0.644  -0.328
  158    HG3  ARG  24           HG3      ARG  24 -11.095  -0.210  -1.062
  159    HD2  ARG  24           HD2      ARG  24 -11.631  -2.175   0.356
  160    HD3  ARG  24           HD3      ARG  24 -13.058  -1.316   0.940
  161    HE   ARG  24           HE       ARG  24 -12.812  -1.662  -1.945
  162   HH11  ARG  24          HH11      ARG  24 -14.242  -2.740   1.057
  163   HH12  ARG  24          HH12      ARG  24 -15.556  -3.569   0.289
  164   HH21  ARG  24          HH21      ARG  24 -14.529  -2.769  -2.971
  165   HH22  ARG  24          HH22      ARG  24 -15.718  -3.590  -2.008
  166    H    ARG  25           H        ARG  25  -8.087   3.261   0.948
  167    HA   ARG  25           HA       ARG  25  -6.273   3.548   2.238
  168    HB2  ARG  25           HB2      ARG  25  -6.751   4.145   4.517
  169    HB3  ARG  25           HB3      ARG  25  -8.028   4.736   3.468
  170    HG2  ARG  25           HG2      ARG  25  -9.376   2.763   4.122
  171    HG3  ARG  25           HG3      ARG  25  -8.116   2.367   5.297
  172    HD2  ARG  25           HD2      ARG  25  -8.449   4.594   6.335
  173    HD3  ARG  25           HD3      ARG  25  -9.794   4.871   5.226
  174    HE   ARG  25           HE       ARG  25 -10.095   2.431   6.656
  175   HH11  ARG  25          HH11      ARG  25 -10.484   5.899   6.974
  176   HH12  ARG  25          HH12      ARG  25 -11.723   5.765   8.180
  177   HH21  ARG  25          HH21      ARG  25 -11.718   2.265   8.233
  178   HH22  ARG  25          HH22      ARG  25 -12.410   3.704   8.912
  179    H    LYS  26           H        LYS  26  -6.356   0.964   1.413
  180    HA   LYS  26           HA       LYS  26  -4.517  -0.101   3.322
  181    HB2  LYS  26           HB2      LYS  26  -5.605  -2.327   3.464
  182    HB3  LYS  26           HB3      LYS  26  -6.502  -1.046   4.254
  183    HG2  LYS  26           HG2      LYS  26  -8.021  -0.916   2.356
  184    HG3  LYS  26           HG3      LYS  26  -7.114  -2.190   1.543
  185    HD2  LYS  26           HD2      LYS  26  -9.153  -3.046   2.593
  186    HD3  LYS  26           HD3      LYS  26  -7.701  -3.759   3.309
  187    HE2  LYS  26           HE2      LYS  26  -9.306  -3.179   5.035
  188    HE3  LYS  26           HE3      LYS  26  -7.864  -2.181   5.181
  189    HZ1  LYS  26           HZ1      LYS  26  -9.781  -0.835   5.430
  190    HZ2  LYS  26           HZ2      LYS  26 -10.440  -1.366   4.046
  191    HZ3  LYS  26           HZ3      LYS  26  -9.104  -0.443   4.001
  192    H    CYS  27           H        CYS  27  -2.967  -1.219   2.384
  193    HA   CYS  27           HA       CYS  27  -2.927  -1.618  -0.449
  194    HB2  CYS  27           HB2      CYS  27  -1.032  -2.731   1.630
  195    HB3  CYS  27           HB3      CYS  27  -0.717  -2.491  -0.076
  196    H    THR  28           H        THR  28  -3.576  -3.406  -1.490
  197    HA   THR  28           HA       THR  28  -4.509  -5.644   0.181
  198    HB   THR  28           HB       THR  28  -6.240  -6.060  -1.477
  199    HG1  THR  28           HG1      THR  28  -4.749  -5.049  -3.201
  200   HG21  THR  28          HG21      THR  28  -7.530  -3.937  -1.331
  201   HG22  THR  28          HG22      THR  28  -6.082  -3.143  -0.707
  202   HG23  THR  28          HG23      THR  28  -6.842  -4.442   0.214
  Start of MODEL    3
    1    H1   ARG   1           H1       ARG   1  12.130  -1.927  -0.667
    2    H2   ARG   1           H2       ARG   1  11.164  -1.467  -1.890
    3    H3   ARG   1           H3       ARG   1  10.885  -2.871  -1.123
    4    HA   ARG   1           HA       ARG   1  10.341  -1.748   0.901
    5    HB2  ARG   1           HB2      ARG   1  11.792   0.210   0.511
    6    HB3  ARG   1           HB3      ARG   1  10.732   0.718  -0.793
    7    HG2  ARG   1           HG2      ARG   1   8.888   0.925   0.859
    8    HG3  ARG   1           HG3      ARG   1  10.062   0.590   2.131
    9    HD2  ARG   1           HD2      ARG   1   9.687   2.990   1.878
   10    HD3  ARG   1           HD3      ARG   1  11.348   2.555   1.479
   11    HE   ARG   1           HE       ARG   1  10.055   2.508  -0.924
   12   HH11  ARG   1          HH11      ARG   1  10.394   4.902   1.606
   13   HH12  ARG   1          HH12      ARG   1  10.321   6.250   0.517
   14   HH21  ARG   1          HH21      ARG   1   9.954   4.280  -2.359
   15   HH22  ARG   1          HH22      ARG   1  10.063   5.897  -1.737
   16    H    CYS   2           H        CYS   2   8.247  -2.148   1.095
   17    HA   CYS   2           HA       CYS   2   6.295  -0.757  -0.425
   18    HB2  CYS   2           HB2      CYS   2   5.276  -2.538  -1.635
   19    HB3  CYS   2           HB3      CYS   2   6.987  -2.573  -2.035
   20    H    LEU   3           H        LEU   3   4.165  -1.162   0.300
   21    HA   LEU   3           HA       LEU   3   4.026  -2.029   3.050
   22    HB2  LEU   3           HB2      LEU   3   2.016  -0.806   1.165
   23    HB3  LEU   3           HB3      LEU   3   1.671  -1.187   2.841
   24    HG   LEU   3           HG       LEU   3   3.793   0.759   1.923
   25   HD11  LEU   3          HD11      LEU   3   2.264   2.498   2.707
   26   HD12  LEU   3          HD12      LEU   3   1.035   1.271   3.015
   27   HD13  LEU   3          HD13      LEU   3   1.579   1.578   1.366
   28   HD21  LEU   3          HD21      LEU   3   2.679   0.152   4.658
   29   HD22  LEU   3          HD22      LEU   3   3.797   1.461   4.277
   30   HD23  LEU   3          HD23      LEU   3   4.305  -0.216   4.080
   31    H    HIS   4           H        HIS   4   2.933  -3.792   3.789
   32    HA   HIS   4           HA       HIS   4   2.419  -5.875   1.852
   33    HB2  HIS   4           HB2      HIS   4   2.423  -7.386   3.655
   34    HB3  HIS   4           HB3      HIS   4   3.611  -6.180   4.112
   35    HD1  HIS   4           HD1      HIS   4   1.211  -8.120   5.667
   36    HD2  HIS   4           HD2      HIS   4   1.951  -4.039   5.710
   37    HE1  HIS   4           HE1      HIS   4   0.156  -7.265   7.780
   38    HE2  HIS   4           HE2      HIS   4   0.788  -4.829   7.880
   39    H    ALA   5           H        ALA   5   0.428  -7.362   2.555
   40    HA   ALA   5           HA       ALA   5  -1.905  -5.891   1.918
   41    HB1  ALA   5           HB1      ALA   5  -1.665  -8.722   2.924
   42    HB2  ALA   5           HB2      ALA   5  -1.590  -8.220   1.234
   43    HB3  ALA   5           HB3      ALA   5  -3.079  -8.004   2.152
   44    H    GLY   6           H        GLY   6  -3.112  -4.761   3.204
   45    HA2  GLY   6           HA2      GLY   6  -4.527  -4.591   5.154
   46    HA3  GLY   6           HA3      GLY   6  -3.317  -5.517   6.051
   47    H    ALA   7           H        ALA   7  -2.070  -3.166   3.922
   48    HA   ALA   7           HA       ALA   7  -1.440  -1.399   6.215
   49    HB1  ALA   7           HB1      ALA   7   0.479  -2.229   4.947
   50    HB2  ALA   7           HB2      ALA   7   0.317  -0.481   4.778
   51    HB3  ALA   7           HB3      ALA   7  -0.197  -1.544   3.469
   52    H    ALA   8           H        ALA   8  -1.387   0.987   5.629
   53    HA   ALA   8           HA       ALA   8  -3.902   1.598   4.287
   54    HB1  ALA   8           HB1      ALA   8  -3.453   2.566   6.501
   55    HB2  ALA   8           HB2      ALA   8  -3.738   3.794   5.264
   56    HB3  ALA   8           HB3      ALA   8  -2.093   3.453   5.817
   57    H    CYS   9           H        CYS   9  -4.018   2.304   2.278
   58    HA   CYS   9           HA       CYS   9  -1.889   3.997   1.214
   59    HB2  CYS   9           HB2      CYS   9  -1.521   1.572   0.501
   60    HB3  CYS   9           HB3      CYS   9  -3.003   1.748  -0.429
   61    H    SER  10           H        SER  10  -2.538   5.034  -0.816
   62    HA   SER  10           HA       SER  10  -3.927   6.401  -1.988
   63    HB2  SER  10           HB2      SER  10  -5.227   4.194  -2.319
   64    HB3  SER  10           HB3      SER  10  -6.300   4.793  -1.054
   65    HG   SER  10           HG       SER  10  -5.745   6.580  -3.096
   66    H    GLY  11           H        GLY  11  -3.563   6.282   1.093
   67    HA2  GLY  11           HA2      GLY  11  -5.727   8.018   1.954
   68    HA3  GLY  11           HA3      GLY  11  -4.410   7.417   2.953
   69    HA   PRO  12           HA       PRO  12  -3.579  11.924   2.014
   70    HB2  PRO  12           HB2      PRO  12  -2.631  12.426   4.547
   71    HB3  PRO  12           HB3      PRO  12  -4.304  12.687   4.043
   72    HG2  PRO  12           HG2      PRO  12  -3.110  10.417   5.565
   73    HG3  PRO  12           HG3      PRO  12  -4.688  11.199   5.765
   74    HD2  PRO  12           HD2      PRO  12  -4.373   8.815   4.524
   75    HD3  PRO  12           HD3      PRO  12  -5.653   9.957   4.083
   76    H    ILE  13           H        ILE  13  -1.421  13.016   2.353
   77    HA   ILE  13           HA       ILE  13   0.366  12.174   0.741
   78    HB   ILE  13           HB       ILE  13   0.806  14.163   1.990
   79   HG12  ILE  13          HG12      ILE  13   3.081  12.164   2.003
   80   HG13  ILE  13          HG13      ILE  13   2.675  13.333   0.754
   81   HG21  ILE  13          HG21      ILE  13   0.196  13.415   4.207
   82   HG22  ILE  13          HG22      ILE  13   1.810  14.126   4.224
   83   HG23  ILE  13          HG23      ILE  13   1.616  12.373   4.270
   84   HD11  ILE  13          HD11      ILE  13   3.691  13.987   3.507
   85   HD12  ILE  13          HD12      ILE  13   3.275  15.158   2.256
   86   HD13  ILE  13          HD13      ILE  13   4.618  14.042   2.009
   87    H    GLN  14           H        GLN  14   0.794  10.162   0.247
   88    HA   GLN  14           HA       GLN  14   2.427   8.591   2.074
   89    HB2  GLN  14           HB2      GLN  14   0.235   7.729   2.574
   90    HB3  GLN  14           HB3      GLN  14  -0.171   7.631   0.868
   91    HG2  GLN  14           HG2      GLN  14   2.181   6.095   1.322
   92    HG3  GLN  14           HG3      GLN  14   0.971   5.642   2.516
   93   HE21  GLN  14          HE21      GLN  14   2.016   4.126   0.221
   94   HE22  GLN  14          HE22      GLN  14   0.644   3.719  -0.765
   95    H    LYS  15           H        LYS  15   4.061   9.184   0.492
   96    HA   LYS  15           HA       LYS  15   3.788   7.632  -1.966
   97    HB2  LYS  15           HB2      LYS  15   5.913   9.508  -0.936
   98    HB3  LYS  15           HB3      LYS  15   6.145   8.527  -2.383
   99    HG2  LYS  15           HG2      LYS  15   4.082   9.599  -3.318
  100    HG3  LYS  15           HG3      LYS  15   4.098  10.682  -1.926
  101    HD2  LYS  15           HD2      LYS  15   6.329  11.465  -2.563
  102    HD3  LYS  15           HD3      LYS  15   6.307  10.384  -3.960
  103    HE2  LYS  15           HE2      LYS  15   4.276  11.563  -4.765
  104    HE3  LYS  15           HE3      LYS  15   4.454  12.701  -3.430
  105    HZ1  LYS  15           HZ1      LYS  15   6.378  12.278  -5.600
  106    HZ2  LYS  15           HZ2      LYS  15   6.620  13.269  -4.339
  107    HZ3  LYS  15           HZ3      LYS  15   5.429  13.586  -5.396
  108    H    ILE  16           H        ILE  16   3.882   5.605  -1.491
  109    HA   ILE  16           HA       ILE  16   6.279   4.227  -0.966
  110    HB   ILE  16           HB       ILE  16   4.140   3.941   1.174
  111   HG12  ILE  16          HG12      ILE  16   6.956   4.997   1.329
  112   HG13  ILE  16          HG13      ILE  16   5.471   5.841   1.739
  113   HG21  ILE  16          HG21      ILE  16   6.724   2.432   0.784
  114   HG22  ILE  16          HG22      ILE  16   5.102   1.807   0.492
  115   HG23  ILE  16          HG23      ILE  16   5.604   2.225   2.131
  116   HD11  ILE  16          HD11      ILE  16   5.136   4.356   3.635
  117   HD12  ILE  16          HD12      ILE  16   6.696   5.175   3.729
  118   HD13  ILE  16          HD13      ILE  16   6.612   3.487   3.221
  119    HA   PRO  17           HA       PRO  17   3.077   2.148  -3.436
  120    HB2  PRO  17           HB2      PRO  17   4.748   0.506  -4.831
  121    HB3  PRO  17           HB3      PRO  17   4.468   2.192  -5.277
  122    HG2  PRO  17           HG2      PRO  17   6.759   0.977  -3.794
  123    HG3  PRO  17           HG3      PRO  17   6.770   2.251  -5.024
  124    HD2  PRO  17           HD2      PRO  17   6.977   2.741  -2.347
  125    HD3  PRO  17           HD3      PRO  17   6.273   3.897  -3.496
  126    H    CYS  18           H        CYS  18   1.916   0.441  -2.720
  127    HA   CYS  18           HA       CYS  18   3.098  -1.367  -0.804
  128    HB2  CYS  18           HB2      CYS  18   0.355  -1.634  -2.000
  129    HB3  CYS  18           HB3      CYS  18   0.933  -2.195  -0.440
  130    H    CYS  19           H        CYS  19   3.313  -3.641  -1.049
  131    HA   CYS  19           HA       CYS  19   3.247  -4.618  -3.796
  132    HB2  CYS  19           HB2      CYS  19   3.837  -5.978  -1.147
  133    HB3  CYS  19           HB3      CYS  19   3.804  -6.836  -2.682
  134    H    GLY  20           H        GLY  20   1.107  -4.067  -4.128
  135    HA2  GLY  20           HA2      GLY  20  -0.892  -5.928  -3.829
  136    HA3  GLY  20           HA3      GLY  20  -1.033  -4.853  -2.438
  137    H    THR  21           H        THR  21  -3.166  -4.727  -3.974
  138    HA   THR  21           HA       THR  21  -2.825  -2.362  -5.660
  139    HB   THR  21           HB       THR  21  -5.337  -3.846  -4.886
  140    HG1  THR  21           HG1      THR  21  -3.626  -4.828  -6.365
  141   HG21  THR  21          HG21      THR  21  -5.899  -1.587  -5.427
  142   HG22  THR  21          HG22      THR  21  -6.331  -2.598  -6.806
  143   HG23  THR  21          HG23      THR  21  -4.866  -1.621  -6.856
  144    H    CYS  22           H        CYS  22  -2.963  -0.360  -4.804
  145    HA   CYS  22           HA       CYS  22  -3.647   0.078  -2.092
  146    HB2  CYS  22           HB2      CYS  22  -3.040   1.818  -4.453
  147    HB3  CYS  22           HB3      CYS  22  -3.505   2.505  -2.915
  148    H    SER  23           H        SER  23  -5.711  -0.361  -1.540
  149    HA   SER  23           HA       SER  23  -7.869   0.961  -2.996
  150    HB2  SER  23           HB2      SER  23  -7.488  -1.972  -2.479
  151    HB3  SER  23           HB3      SER  23  -9.085  -1.301  -2.730
  152    HG   SER  23           HG       SER  23  -7.570  -0.319  -4.635
  153    H    ARG  24           H        ARG  24  -9.133   2.018  -1.604
  154    HA   ARG  24           HA       ARG  24 -10.476   2.495   0.174
  155    HB2  ARG  24           HB2      ARG  24 -10.066  -0.374   1.014
  156    HB3  ARG  24           HB3      ARG  24 -11.363   0.695   1.520
  157    HG2  ARG  24           HG2      ARG  24 -12.325   0.668  -0.666
  158    HG3  ARG  24           HG3      ARG  24 -10.939  -0.215  -1.315
  159    HD2  ARG  24           HD2      ARG  24 -11.476  -2.068   0.265
  160    HD3  ARG  24           HD3      ARG  24 -12.946  -1.199   0.707
  161    HE   ARG  24           HE       ARG  24 -13.188  -1.371  -1.957
  162   HH11  ARG  24          HH11      ARG  24 -12.405  -3.763   0.471
  163   HH12  ARG  24          HH12      ARG  24 -13.066  -5.087  -0.432
  164   HH21  ARG  24          HH21      ARG  24 -14.075  -3.106  -3.148
  165   HH22  ARG  24          HH22      ARG  24 -14.033  -4.711  -2.488
  166    H    ARG  25           H        ARG  25  -7.731   3.108   0.472
  167    HA   ARG  25           HA       ARG  25  -6.130   3.595   1.990
  168    HB2  ARG  25           HB2      ARG  25  -8.586   3.518   3.625
  169    HB3  ARG  25           HB3      ARG  25  -7.074   3.381   4.513
  170    HG2  ARG  25           HG2      ARG  25  -6.283   5.448   3.562
  171    HG3  ARG  25           HG3      ARG  25  -7.743   5.581   2.572
  172    HD2  ARG  25           HD2      ARG  25  -9.079   5.630   4.671
  173    HD3  ARG  25           HD3      ARG  25  -7.568   5.659   5.579
  174    HE   ARG  25           HE       ARG  25  -7.918   7.748   3.591
  175   HH11  ARG  25          HH11      ARG  25  -8.172   6.812   6.953
  176   HH12  ARG  25          HH12      ARG  25  -8.153   8.445   7.538
  177   HH21  ARG  25          HH21      ARG  25  -7.900   9.890   4.352
  178   HH22  ARG  25          HH22      ARG  25  -8.000  10.198   6.057
  179    H    LYS  26           H        LYS  26  -6.618   0.837   1.118
  180    HA   LYS  26           HA       LYS  26  -4.957  -0.431   3.170
  181    HB2  LYS  26           HB2      LYS  26  -7.131  -1.901   1.689
  182    HB3  LYS  26           HB3      LYS  26  -6.124  -2.517   2.983
  183    HG2  LYS  26           HG2      LYS  26  -7.197  -1.076   4.577
  184    HG3  LYS  26           HG3      LYS  26  -8.132  -0.301   3.298
  185    HD2  LYS  26           HD2      LYS  26  -9.259  -2.411   2.827
  186    HD3  LYS  26           HD3      LYS  26  -8.303  -3.210   4.079
  187    HE2  LYS  26           HE2      LYS  26 -10.278  -0.967   4.489
  188    HE3  LYS  26           HE3      LYS  26 -10.521  -2.659   4.914
  189    HZ1  LYS  26           HZ1      LYS  26  -9.876  -1.397   6.823
  190    HZ2  LYS  26           HZ2      LYS  26  -8.528  -0.862   6.095
  191    HZ3  LYS  26           HZ3      LYS  26  -8.677  -2.436   6.459
  192    H    CYS  27           H        CYS  27  -3.220  -1.440   2.360
  193    HA   CYS  27           HA       CYS  27  -2.911  -1.769  -0.492
  194    HB2  CYS  27           HB2      CYS  27  -1.140  -2.833   1.715
  195    HB3  CYS  27           HB3      CYS  27  -0.718  -2.580   0.033
  196    H    THR  28           H        THR  28  -3.614  -3.525  -1.528
  197    HA   THR  28           HA       THR  28  -4.615  -5.738   0.139
  198    HB   THR  28           HB       THR  28  -6.379  -6.056  -1.597
  199    HG1  THR  28           HG1      THR  28  -5.445  -3.546  -2.595
  200   HG21  THR  28          HG21      THR  28  -6.224  -3.368  -0.238
  201   HG22  THR  28          HG22      THR  28  -7.019  -4.828   0.350
  202   HG23  THR  28          HG23      THR  28  -7.675  -3.963  -1.045
  Start of MODEL    4
    1    H1   ARG   1           H1       ARG   1  12.230  -1.445   0.135
    2    H2   ARG   1           H2       ARG   1  11.296  -0.291  -0.525
    3    H3   ARG   1           H3       ARG   1  11.077  -1.847  -0.941
    4    HA   ARG   1           HA       ARG   1  10.364  -2.423   1.234
    5    HB2  ARG   1           HB2      ARG   1  11.631  -0.850   2.518
    6    HB3  ARG   1           HB3      ARG   1  10.845   0.515   1.739
    7    HG2  ARG   1           HG2      ARG   1   8.801   0.088   2.866
    8    HG3  ARG   1           HG3      ARG   1   9.367  -1.484   3.433
    9    HD2  ARG   1           HD2      ARG   1  10.595   1.156   4.214
   10    HD3  ARG   1           HD3      ARG   1   9.396   0.292   5.176
   11    HE   ARG   1           HE       ARG   1  11.455  -1.495   4.682
   12   HH11  ARG   1          HH11      ARG   1  11.046   1.566   6.330
   13   HH12  ARG   1          HH12      ARG   1  12.299   1.255   7.487
   14   HH21  ARG   1          HH21      ARG   1  13.097  -1.915   6.217
   15   HH22  ARG   1          HH22      ARG   1  13.467  -0.724   7.420
   16    H    CYS   2           H        CYS   2   8.349  -2.922   0.916
   17    HA   CYS   2           HA       CYS   2   6.540  -0.892  -0.211
   18    HB2  CYS   2           HB2      CYS   2   5.477  -2.550  -1.579
   19    HB3  CYS   2           HB3      CYS   2   7.207  -2.660  -1.872
   20    H    LEU   3           H        LEU   3   4.287  -1.241   0.311
   21    HA   LEU   3           HA       LEU   3   3.944  -2.147   3.034
   22    HB2  LEU   3           HB2      LEU   3   2.062  -0.841   1.074
   23    HB3  LEU   3           HB3      LEU   3   1.670  -1.191   2.745
   24    HG   LEU   3           HG       LEU   3   3.842   0.691   1.819
   25   HD11  LEU   3          HD11      LEU   3   1.606   1.539   1.343
   26   HD12  LEU   3          HD12      LEU   3   2.386   2.464   2.626
   27   HD13  LEU   3          HD13      LEU   3   1.144   1.275   3.024
   28   HD21  LEU   3          HD21      LEU   3   2.798   0.070   4.577
   29   HD22  LEU   3          HD22      LEU   3   3.929   1.365   4.181
   30   HD23  LEU   3          HD23      LEU   3   4.399  -0.319   3.945
   31    H    HIS   4           H        HIS   4   2.734  -3.895   3.671
   32    HA   HIS   4           HA       HIS   4   2.151  -5.814   1.557
   33    HB2  HIS   4           HB2      HIS   4   2.254  -7.507   3.172
   34    HB3  HIS   4           HB3      HIS   4   3.490  -6.373   3.681
   35    HD1  HIS   4           HD1      HIS   4   1.341  -8.507   5.231
   36    HD2  HIS   4           HD2      HIS   4   1.831  -4.398   5.587
   37    HE1  HIS   4           HE1      HIS   4   0.416  -7.910   7.490
   38    HE2  HIS   4           HE2      HIS   4   0.858  -5.443   7.745
   39    H    ALA   5           H        ALA   5   0.186  -7.334   2.262
   40    HA   ALA   5           HA       ALA   5  -2.154  -5.906   1.791
   41    HB1  ALA   5           HB1      ALA   5  -1.885  -8.646   3.025
   42    HB2  ALA   5           HB2      ALA   5  -1.897  -8.296   1.298
   43    HB3  ALA   5           HB3      ALA   5  -3.333  -7.979   2.269
   44    H    GLY   6           H        GLY   6  -3.249  -4.636   3.030
   45    HA2  GLY   6           HA2      GLY   6  -4.654  -4.290   4.935
   46    HA3  GLY   6           HA3      GLY   6  -3.572  -5.321   5.875
   47    H    ALA   7           H        ALA   7  -2.127  -2.987   3.788
   48    HA   ALA   7           HA       ALA   7  -1.411  -1.385   6.164
   49    HB1  ALA   7           HB1      ALA   7   0.454  -2.245   4.833
   50    HB2  ALA   7           HB2      ALA   7   0.401  -0.482   4.798
   51    HB3  ALA   7           HB3      ALA   7  -0.174  -1.410   3.413
   52    H    ALA   8           H        ALA   8  -2.176   0.673   6.408
   53    HA   ALA   8           HA       ALA   8  -4.304   1.502   4.739
   54    HB1  ALA   8           HB1      ALA   8  -4.214   2.082   7.111
   55    HB2  ALA   8           HB2      ALA   8  -4.398   3.508   6.086
   56    HB3  ALA   8           HB3      ALA   8  -2.828   3.128   6.799
   57    H    CYS   9           H        CYS   9  -4.213   2.421   2.849
   58    HA   CYS   9           HA       CYS   9  -2.238   4.509   2.341
   59    HB2  CYS   9           HB2      CYS   9  -1.439   3.591   0.295
   60    HB3  CYS   9           HB3      CYS   9  -1.317   2.306   1.490
   61    H    SER  10           H        SER  10  -2.793   5.033  -0.307
   62    HA   SER  10           HA       SER  10  -4.279   6.021  -1.723
   63    HB2  SER  10           HB2      SER  10  -6.494   4.631  -0.203
   64    HB3  SER  10           HB3      SER  10  -6.545   5.241  -1.856
   65    HG   SER  10           HG       SER  10  -4.589   3.355  -1.201
   66    H    GLY  11           H        GLY  11  -3.700   6.843   1.174
   67    HA2  GLY  11           HA2      GLY  11  -5.882   8.764   1.595
   68    HA3  GLY  11           HA3      GLY  11  -4.663   8.315   2.781
   69    HA   PRO  12           HA       PRO  12  -3.559  12.623   1.185
   70    HB2  PRO  12           HB2      PRO  12  -2.364  12.355   3.910
   71    HB3  PRO  12           HB3      PRO  12  -3.118  13.761   3.148
   72    HG2  PRO  12           HG2      PRO  12  -4.420  12.301   4.972
   73    HG3  PRO  12           HG3      PRO  12  -5.258  13.019   3.585
   74    HD2  PRO  12           HD2      PRO  12  -4.560  10.188   4.108
   75    HD3  PRO  12           HD3      PRO  12  -5.869  10.873   3.131
   76    H    ILE  13           H        ILE  13  -1.447  13.403   0.796
   77    HA   ILE  13           HA       ILE  13   0.098  12.057  -0.756
   78    HB   ILE  13           HB       ILE  13   0.684  14.307  -0.269
   79   HG12  ILE  13          HG12      ILE  13   3.034  12.487   0.312
   80   HG13  ILE  13          HG13      ILE  13   2.424  12.903  -1.285
   81   HG21  ILE  13          HG21      ILE  13   1.876  14.981   1.746
   82   HG22  ILE  13          HG22      ILE  13   1.761  13.336   2.366
   83   HG23  ILE  13          HG23      ILE  13   0.300  14.291   2.132
   84   HD11  ILE  13          HD11      ILE  13   3.615  14.824   0.698
   85   HD12  ILE  13          HD12      ILE  13   3.016  15.235  -0.908
   86   HD13  ILE  13          HD13      ILE  13   4.415  14.176  -0.733
   87    H    GLN  14           H        GLN  14   0.495   9.992  -0.691
   88    HA   GLN  14           HA       GLN  14   2.223   8.945   1.440
   89    HB2  GLN  14           HB2      GLN  14   0.082   8.027   1.936
   90    HB3  GLN  14           HB3      GLN  14  -0.249   7.698   0.242
   91    HG2  GLN  14           HG2      GLN  14   2.121   6.305   1.056
   92    HG3  GLN  14           HG3      GLN  14   0.806   5.951   2.169
   93   HE21  GLN  14          HE21      GLN  14   2.136   4.251   0.175
   94   HE22  GLN  14          HE22      GLN  14   0.897   3.669  -0.882
   95    H    LYS  15           H        LYS  15   4.053   9.208   0.080
   96    HA   LYS  15           HA       LYS  15   4.003   7.514  -2.302
   97    HB2  LYS  15           HB2      LYS  15   6.231   9.201  -1.135
   98    HB3  LYS  15           HB3      LYS  15   6.294   8.350  -2.674
   99    HG2  LYS  15           HG2      LYS  15   4.587   9.761  -3.589
  100    HG3  LYS  15           HG3      LYS  15   4.319  10.525  -2.020
  101    HD2  LYS  15           HD2      LYS  15   6.638  11.372  -2.075
  102    HD3  LYS  15           HD3      LYS  15   6.835  10.664  -3.678
  103    HE2  LYS  15           HE2      LYS  15   5.104  12.095  -4.565
  104    HE3  LYS  15           HE3      LYS  15   4.772  12.740  -2.958
  105    HZ1  LYS  15           HZ1      LYS  15   7.307  13.050  -4.400
  106    HZ2  LYS  15           HZ2      LYS  15   6.962  13.678  -2.942
  107    HZ3  LYS  15           HZ3      LYS  15   6.167  14.203  -4.258
  108    H    ILE  16           H        ILE  16   3.954   5.515  -1.680
  109    HA   ILE  16           HA       ILE  16   6.272   4.149  -0.781
  110    HB   ILE  16           HB       ILE  16   3.846   3.809   1.000
  111   HG12  ILE  16          HG12      ILE  16   6.427   5.238   1.643
  112   HG13  ILE  16          HG13      ILE  16   4.813   5.933   1.633
  113   HG21  ILE  16          HG21      ILE  16   5.336   2.378   2.313
  114   HG22  ILE  16          HG22      ILE  16   6.643   2.696   1.173
  115   HG23  ILE  16          HG23      ILE  16   5.207   1.822   0.644
  116   HD11  ILE  16          HD11      ILE  16   5.592   5.524   3.893
  117   HD12  ILE  16          HD12      ILE  16   5.797   3.813   3.517
  118   HD13  ILE  16          HD13      ILE  16   4.186   4.530   3.512
  119    HA   PRO  17           HA       PRO  17   3.373   2.035  -3.556
  120    HB2  PRO  17           HB2      PRO  17   5.199   0.399  -4.760
  121    HB3  PRO  17           HB3      PRO  17   4.935   2.075  -5.254
  122    HG2  PRO  17           HG2      PRO  17   7.102   0.914  -3.563
  123    HG3  PRO  17           HG3      PRO  17   7.193   2.205  -4.772
  124    HD2  PRO  17           HD2      PRO  17   7.130   2.641  -2.069
  125    HD3  PRO  17           HD3      PRO  17   6.556   3.816  -3.270
  126    H    CYS  18           H        CYS  18   2.136   0.431  -2.788
  127    HA   CYS  18           HA       CYS  18   3.218  -1.404  -0.843
  128    HB2  CYS  18           HB2      CYS  18   0.498  -1.678  -2.070
  129    HB3  CYS  18           HB3      CYS  18   1.038  -2.098  -0.453
  130    H    CYS  19           H        CYS  19   3.413  -3.666  -1.121
  131    HA   CYS  19           HA       CYS  19   3.327  -4.588  -3.886
  132    HB2  CYS  19           HB2      CYS  19   3.883  -6.034  -1.274
  133    HB3  CYS  19           HB3      CYS  19   3.891  -6.823  -2.847
  134    H    GLY  20           H        GLY  20   1.195  -3.975  -4.187
  135    HA2  GLY  20           HA2      GLY  20  -0.831  -5.812  -3.929
  136    HA3  GLY  20           HA3      GLY  20  -0.944  -4.778  -2.506
  137    H    THR  21           H        THR  21  -3.090  -4.600  -4.015
  138    HA   THR  21           HA       THR  21  -2.749  -2.174  -5.631
  139    HB   THR  21           HB       THR  21  -5.311  -3.666  -5.037
  140    HG1  THR  21           HG1      THR  21  -3.620  -4.935  -6.145
  141   HG21  THR  21          HG21      THR  21  -6.126  -2.555  -7.054
  142   HG22  THR  21          HG22      THR  21  -4.569  -1.754  -7.251
  143   HG23  THR  21          HG23      THR  21  -5.585  -1.374  -5.862
  144    H    CYS  22           H        CYS  22  -3.236  -0.161  -4.790
  145    HA   CYS  22           HA       CYS  22  -3.851   0.036  -2.008
  146    HB2  CYS  22           HB2      CYS  22  -2.975   1.808  -4.151
  147    HB3  CYS  22           HB3      CYS  22  -4.121   2.581  -3.057
  148    H    SER  23           H        SER  23  -5.830  -0.501  -1.371
  149    HA   SER  23           HA       SER  23  -8.128   0.560  -2.879
  150    HB2  SER  23           HB2      SER  23  -7.735  -1.914  -3.196
  151    HB3  SER  23           HB3      SER  23  -8.005  -2.115  -1.469
  152    HG   SER  23           HG       SER  23  -9.806  -1.759  -3.488
  153    H    ARG  24           H        ARG  24  -9.134   2.001  -1.669
  154    HA   ARG  24           HA       ARG  24  -9.987   3.140   0.110
  155    HB2  ARG  24           HB2      ARG  24 -11.702   1.868   1.320
  156    HB3  ARG  24           HB3      ARG  24 -11.742   1.549  -0.406
  157    HG2  ARG  24           HG2      ARG  24 -10.575  -0.568  -0.041
  158    HG3  ARG  24           HG3      ARG  24 -10.534  -0.240   1.689
  159    HD2  ARG  24           HD2      ARG  24 -12.329  -1.728   1.305
  160    HD3  ARG  24           HD3      ARG  24 -13.029  -0.148   1.638
  161    HE   ARG  24           HE       ARG  24 -13.222   0.044  -0.877
  162   HH11  ARG  24          HH11      ARG  24 -13.313  -3.032   0.795
  163   HH12  ARG  24          HH12      ARG  24 -14.238  -3.824  -0.437
  164   HH21  ARG  24          HH21      ARG  24 -14.465  -0.997  -2.504
  165   HH22  ARG  24          HH22      ARG  24 -14.898  -2.666  -2.308
  166    H    ARG  25           H        ARG  25  -7.502   3.061   0.824
  167    HA   ARG  25           HA       ARG  25  -6.133   3.333   2.580
  168    HB2  ARG  25           HB2      ARG  25  -8.727   3.043   4.010
  169    HB3  ARG  25           HB3      ARG  25  -7.239   2.964   4.946
  170    HG2  ARG  25           HG2      ARG  25  -6.568   5.141   4.027
  171    HG3  ARG  25           HG3      ARG  25  -8.104   5.227   3.159
  172    HD2  ARG  25           HD2      ARG  25  -7.789   5.032   6.152
  173    HD3  ARG  25           HD3      ARG  25  -8.126   6.511   5.258
  174    HE   ARG  25           HE       ARG  25 -10.034   4.400   4.804
  175   HH11  ARG  25          HH11      ARG  25  -9.163   7.138   6.785
  176   HH12  ARG  25          HH12      ARG  25 -10.776   7.412   7.355
  177   HH21  ARG  25          HH21      ARG  25 -12.172   4.742   5.555
  178   HH22  ARG  25          HH22      ARG  25 -12.491   6.044   6.655
  179    H    LYS  26           H        LYS  26  -6.697   0.591   1.386
  180    HA   LYS  26           HA       LYS  26  -4.823  -0.614   3.279
  181    HB2  LYS  26           HB2      LYS  26  -6.811  -2.415   1.964
  182    HB3  LYS  26           HB3      LYS  26  -5.808  -2.702   3.368
  183    HG2  LYS  26           HG2      LYS  26  -7.668  -2.395   4.547
  184    HG3  LYS  26           HG3      LYS  26  -7.433  -0.675   4.223
  185    HD2  LYS  26           HD2      LYS  26  -9.699  -1.282   3.644
  186    HD3  LYS  26           HD3      LYS  26  -8.796  -0.917   2.174
  187    HE2  LYS  26           HE2      LYS  26 -10.200  -2.897   1.894
  188    HE3  LYS  26           HE3      LYS  26  -8.491  -3.295   1.746
  189    HZ1  LYS  26           HZ1      LYS  26  -9.648  -4.891   3.090
  190    HZ2  LYS  26           HZ2      LYS  26 -10.143  -3.743   4.128
  191    HZ3  LYS  26           HZ3      LYS  26  -8.561  -4.098   4.006
  192    H    CYS  27           H        CYS  27  -3.071  -1.303   2.270
  193    HA   CYS  27           HA       CYS  27  -2.934  -1.664  -0.564
  194    HB2  CYS  27           HB2      CYS  27  -1.030  -2.632   1.584
  195    HB3  CYS  27           HB3      CYS  27  -0.679  -2.439  -0.119
  196    H    THR  28           H        THR  28  -3.393  -3.521  -1.645
  197    HA   THR  28           HA       THR  28  -4.104  -5.853   0.008
  198    HB   THR  28           HB       THR  28  -5.798  -6.395  -1.776
  199    HG1  THR  28           HG1      THR  28  -5.269  -3.705  -2.592
  200   HG21  THR  28          HG21      THR  28  -6.131  -3.777  -0.310
  201   HG22  THR  28          HG22      THR  28  -6.519  -5.382   0.309
  202   HG23  THR  28          HG23      THR  28  -7.443  -4.707  -1.033
  Start of MODEL    5
    1    H1   ARG   1           H1       ARG   1  10.934   0.504   0.040
    2    H2   ARG   1           H2       ARG   1  11.163  -0.648  -1.085
    3    H3   ARG   1           H3       ARG   1  12.134  -0.586   0.218
    4    HA   ARG   1           HA       ARG   1  10.555  -2.368   0.410
    5    HB2  ARG   1           HB2      ARG   1   9.823  -1.889   2.644
    6    HB3  ARG   1           HB3      ARG   1  11.401  -1.148   2.430
    7    HG2  ARG   1           HG2      ARG   1  10.267   1.025   2.028
    8    HG3  ARG   1           HG3      ARG   1   8.732   0.242   2.401
    9    HD2  ARG   1           HD2      ARG   1  11.100   0.534   4.245
   10    HD3  ARG   1           HD3      ARG   1   9.570   1.399   4.358
   11    HE   ARG   1           HE       ARG   1   8.801  -1.185   4.497
   12   HH11  ARG   1          HH11      ARG   1  11.174   0.707   6.247
   13   HH12  ARG   1          HH12      ARG   1  11.081  -0.261   7.682
   14   HH21  ARG   1          HH21      ARG   1   8.675  -2.465   6.395
   15   HH22  ARG   1          HH22      ARG   1   9.662  -2.065   7.762
   16    H    CYS   2           H        CYS   2   8.326  -2.988   0.638
   17    HA   CYS   2           HA       CYS   2   6.429  -0.987  -0.378
   18    HB2  CYS   2           HB2      CYS   2   5.365  -2.703  -1.764
   19    HB3  CYS   2           HB3      CYS   2   7.052  -2.497  -2.214
   20    H    LEU   3           H        LEU   3   4.287  -1.243   0.283
   21    HA   LEU   3           HA       LEU   3   4.046  -2.254   2.956
   22    HB2  LEU   3           HB2      LEU   3   2.081  -0.895   1.117
   23    HB3  LEU   3           HB3      LEU   3   1.749  -1.289   2.793
   24    HG   LEU   3           HG       LEU   3   3.918   0.594   1.850
   25   HD11  LEU   3          HD11      LEU   3   1.230   1.168   3.084
   26   HD12  LEU   3          HD12      LEU   3   1.707   1.499   1.419
   27   HD13  LEU   3          HD13      LEU   3   2.486   2.362   2.747
   28   HD21  LEU   3          HD21      LEU   3   2.898  -0.030   4.617
   29   HD22  LEU   3          HD22      LEU   3   4.072   1.221   4.210
   30   HD23  LEU   3          HD23      LEU   3   4.472  -0.478   3.962
   31    H    HIS   4           H        HIS   4   2.961  -4.022   3.638
   32    HA   HIS   4           HA       HIS   4   2.228  -5.949   1.606
   33    HB2  HIS   4           HB2      HIS   4   2.304  -7.594   3.279
   34    HB3  HIS   4           HB3      HIS   4   3.577  -6.474   3.730
   35    HD1  HIS   4           HD1      HIS   4   1.293  -8.465   5.336
   36    HD2  HIS   4           HD2      HIS   4   2.090  -4.400   5.610
   37    HE1  HIS   4           HE1      HIS   4   0.415  -7.753   7.579
   38    HE2  HIS   4           HE2      HIS   4   0.759  -5.259   7.648
   39    H    ALA   5           H        ALA   5   0.219  -7.406   2.418
   40    HA   ALA   5           HA       ALA   5  -2.060  -5.866   1.892
   41    HB1  ALA   5           HB1      ALA   5  -3.332  -7.885   2.331
   42    HB2  ALA   5           HB2      ALA   5  -1.921  -8.629   3.082
   43    HB3  ALA   5           HB3      ALA   5  -1.906  -8.248   1.361
   44    H    GLY   6           H        GLY   6  -3.164  -4.604   3.134
   45    HA2  GLY   6           HA2      GLY   6  -4.620  -4.354   5.043
   46    HA3  GLY   6           HA3      GLY   6  -3.460  -5.283   5.992
   47    H    ALA   7           H        ALA   7  -2.091  -2.960   3.873
   48    HA   ALA   7           HA       ALA   7  -1.446  -1.302   6.233
   49    HB1  ALA   7           HB1      ALA   7  -0.135  -1.392   3.518
   50    HB2  ALA   7           HB2      ALA   7   0.457  -2.183   4.980
   51    HB3  ALA   7           HB3      ALA   7   0.400  -0.422   4.891
   52    H    ALA   8           H        ALA   8  -2.142   0.807   6.389
   53    HA   ALA   8           HA       ALA   8  -4.262   1.601   4.687
   54    HB1  ALA   8           HB1      ALA   8  -4.347   3.643   5.944
   55    HB2  ALA   8           HB2      ALA   8  -2.747   3.332   6.625
   56    HB3  ALA   8           HB3      ALA   8  -4.103   2.285   7.046
   57    H    CYS   9           H        CYS   9  -4.156   2.421   2.745
   58    HA   CYS   9           HA       CYS   9  -2.092   4.379   2.096
   59    HB2  CYS   9           HB2      CYS   9  -1.248   3.255   0.207
   60    HB3  CYS   9           HB3      CYS   9  -1.312   2.023   1.463
   61    H    SER  10           H        SER  10  -2.487   4.943  -0.429
   62    HA   SER  10           HA       SER  10  -3.843   5.765  -2.058
   63    HB2  SER  10           HB2      SER  10  -5.100   3.612  -1.875
   64    HB3  SER  10           HB3      SER  10  -6.123   4.360  -0.651
   65    HG   SER  10           HG       SER  10  -5.845   5.200  -3.353
   66    H    GLY  11           H        GLY  11  -3.841   6.545   1.051
   67    HA2  GLY  11           HA2      GLY  11  -5.997   8.467   1.069
   68    HA3  GLY  11           HA3      GLY  11  -4.841   8.180   2.365
   69    HA   PRO  12           HA       PRO  12  -3.793  12.262   0.338
   70    HB2  PRO  12           HB2      PRO  12  -3.016  13.353   2.758
   71    HB3  PRO  12           HB3      PRO  12  -4.610  13.554   2.025
   72    HG2  PRO  12           HG2      PRO  12  -3.734  11.698   4.181
   73    HG3  PRO  12           HG3      PRO  12  -5.272  12.558   3.992
   74    HD2  PRO  12           HD2      PRO  12  -4.995   9.936   3.438
   75    HD3  PRO  12           HD3      PRO  12  -6.121  10.973   2.546
   76    H    ILE  13           H        ILE  13  -1.669  13.353   0.471
   77    HA   ILE  13           HA       ILE  13   0.149  12.051  -0.753
   78    HB   ILE  13           HB       ILE  13   0.582  14.318  -0.185
   79   HG12  ILE  13          HG12      ILE  13   2.864  12.532   0.706
   80   HG13  ILE  13          HG13      ILE  13   2.489  12.996  -0.951
   81   HG21  ILE  13          HG21      ILE  13  -0.147  14.317   2.121
   82   HG22  ILE  13          HG22      ILE  13   1.473  15.001   1.987
   83   HG23  ILE  13          HG23      ILE  13   1.257  13.355   2.583
   84   HD11  ILE  13          HD11      ILE  13   4.354  14.273  -0.062
   85   HD12  ILE  13          HD12      ILE  13   3.331  14.876   1.243
   86   HD13  ILE  13          HD13      ILE  13   2.982  15.317  -0.429
   87    H    GLN  14           H        GLN  14   0.408   9.949  -0.545
   88    HA   GLN  14           HA       GLN  14   2.094   9.021   1.671
   89    HB2  GLN  14           HB2      GLN  14   0.006   8.033   2.194
   90    HB3  GLN  14           HB3      GLN  14  -0.362   7.715   0.507
   91    HG2  GLN  14           HG2      GLN  14   2.034   6.323   1.284
   92    HG3  GLN  14           HG3      GLN  14   0.714   5.943   2.386
   93   HE21  GLN  14          HE21      GLN  14   2.045   4.268   0.353
   94   HE22  GLN  14          HE22      GLN  14   0.800   3.717  -0.723
   95    H    LYS  15           H        LYS  15   3.949   9.249   0.367
   96    HA   LYS  15           HA       LYS  15   3.966   7.587  -2.035
   97    HB2  LYS  15           HB2      LYS  15   6.130   9.308  -0.800
   98    HB3  LYS  15           HB3      LYS  15   6.273   8.451  -2.327
   99    HG2  LYS  15           HG2      LYS  15   4.295  10.642  -1.739
  100    HG3  LYS  15           HG3      LYS  15   5.810  10.841  -2.617
  101    HD2  LYS  15           HD2      LYS  15   5.011   9.241  -4.312
  102    HD3  LYS  15           HD3      LYS  15   3.481   9.110  -3.441
  103    HE2  LYS  15           HE2      LYS  15   3.153  11.546  -3.749
  104    HE3  LYS  15           HE3      LYS  15   4.623  11.590  -4.719
  105    HZ1  LYS  15           HZ1      LYS  15   2.215  10.040  -5.363
  106    HZ2  LYS  15           HZ2      LYS  15   3.571  10.086  -6.257
  107    HZ3  LYS  15           HZ3      LYS  15   2.668  11.425  -6.087
  108    H    ILE  16           H        ILE  16   3.899   5.575  -1.374
  109    HA   ILE  16           HA       ILE  16   6.297   4.230  -0.721
  110    HB   ILE  16           HB       ILE  16   4.036   3.857   1.274
  111   HG12  ILE  16          HG12      ILE  16   6.764   5.089   1.643
  112   HG13  ILE  16          HG13      ILE  16   5.204   5.837   1.943
  113   HG21  ILE  16          HG21      ILE  16   5.197   1.796   0.644
  114   HG22  ILE  16          HG22      ILE  16   5.525   2.226   2.323
  115   HG23  ILE  16          HG23      ILE  16   6.741   2.528   1.082
  116   HD11  ILE  16          HD11      ILE  16   6.394   3.555   3.496
  117   HD12  ILE  16          HD12      ILE  16   4.820   4.296   3.793
  118   HD13  ILE  16          HD13      ILE  16   6.296   5.237   4.018
  119    HA   PRO  17           HA       PRO  17   3.273   2.145  -3.391
  120    HB2  PRO  17           HB2      PRO  17   5.058   0.526  -4.685
  121    HB3  PRO  17           HB3      PRO  17   4.745   2.200  -5.153
  122    HG2  PRO  17           HG2      PRO  17   7.007   1.064  -3.573
  123    HG3  PRO  17           HG3      PRO  17   7.022   2.358  -4.783
  124    HD2  PRO  17           HD2      PRO  17   7.091   2.805  -2.089
  125    HD3  PRO  17           HD3      PRO  17   6.409   3.956  -3.254
  126    H    CYS  18           H        CYS  18   2.077   0.503  -2.664
  127    HA   CYS  18           HA       CYS  18   3.187  -1.423  -0.820
  128    HB2  CYS  18           HB2      CYS  18   0.438  -1.599  -1.992
  129    HB3  CYS  18           HB3      CYS  18   1.011  -2.112  -0.413
  130    H    CYS  19           H        CYS  19   3.364  -3.666  -1.184
  131    HA   CYS  19           HA       CYS  19   3.337  -4.455  -3.975
  132    HB2  CYS  19           HB2      CYS  19   3.547  -6.701  -2.319
  133    HB3  CYS  19           HB3      CYS  19   4.866  -5.895  -3.150
  134    H    GLY  20           H        GLY  20   1.168  -3.900  -4.278
  135    HA2  GLY  20           HA2      GLY  20  -0.777  -5.845  -4.124
  136    HA3  GLY  20           HA3      GLY  20  -0.948  -4.880  -2.659
  137    H    THR  21           H        THR  21  -3.072  -4.770  -4.172
  138    HA   THR  21           HA       THR  21  -2.945  -2.335  -5.757
  139    HB   THR  21           HB       THR  21  -5.378  -3.890  -4.857
  140    HG1  THR  21           HG1      THR  21  -5.182  -4.611  -7.188
  141   HG21  THR  21          HG21      THR  21  -5.845  -1.602  -5.594
  142   HG22  THR  21          HG22      THR  21  -6.483  -2.784  -6.737
  143   HG23  THR  21          HG23      THR  21  -4.993  -1.915  -7.105
  144    H    CYS  22           H        CYS  22  -3.516  -0.321  -4.978
  145    HA   CYS  22           HA       CYS  22  -3.908  -0.095  -2.113
  146    HB2  CYS  22           HB2      CYS  22  -2.867   1.580  -4.247
  147    HB3  CYS  22           HB3      CYS  22  -3.971   2.458  -3.205
  148    H    SER  23           H        SER  23  -5.944  -0.380  -1.426
  149    HA   SER  23           HA       SER  23  -8.084   1.065  -2.834
  150    HB2  SER  23           HB2      SER  23  -7.919  -1.462  -3.400
  151    HB3  SER  23           HB3      SER  23  -8.515  -1.714  -1.763
  152    HG   SER  23           HG       SER  23  -9.803  -0.174  -3.773
  153    H    ARG  24           H        ARG  24  -9.401   2.144  -1.533
  154    HA   ARG  24           HA       ARG  24 -10.225   3.123   0.347
  155    HB2  ARG  24           HB2      ARG  24 -11.604   1.573   1.710
  156    HB3  ARG  24           HB3      ARG  24 -11.853   1.414  -0.021
  157    HG2  ARG  24           HG2      ARG  24 -10.542  -0.604  -0.073
  158    HG3  ARG  24           HG3      ARG  24 -10.122  -0.413   1.630
  159    HD2  ARG  24           HD2      ARG  24 -11.896  -2.061   1.317
  160    HD3  ARG  24           HD3      ARG  24 -12.455  -0.675   2.251
  161    HE   ARG  24           HE       ARG  24 -13.081  -0.163  -0.401
  162   HH11  ARG  24          HH11      ARG  24 -13.900  -2.532   2.031
  163   HH12  ARG  24          HH12      ARG  24 -15.486  -2.823   1.396
  164   HH21  ARG  24          HH21      ARG  24 -15.167  -0.528  -1.239
  165   HH22  ARG  24          HH22      ARG  24 -16.213  -1.678  -0.469
  166    H    ARG  25           H        ARG  25  -7.645   3.279   0.848
  167    HA   ARG  25           HA       ARG  25  -6.056   3.439   2.403
  168    HB2  ARG  25           HB2      ARG  25  -8.510   3.337   4.091
  169    HB3  ARG  25           HB3      ARG  25  -6.923   3.359   4.852
  170    HG2  ARG  25           HG2      ARG  25  -7.500   5.599   4.759
  171    HG3  ARG  25           HG3      ARG  25  -6.458   5.373   3.354
  172    HD2  ARG  25           HD2      ARG  25  -8.392   5.220   1.901
  173    HD3  ARG  25           HD3      ARG  25  -9.469   5.378   3.290
  174    HE   ARG  25           HE       ARG  25  -8.143   7.617   3.551
  175   HH11  ARG  25          HH11      ARG  25  -9.289   6.164   0.570
  176   HH12  ARG  25          HH12      ARG  25  -9.455   7.686  -0.249
  177   HH21  ARG  25          HH21      ARG  25  -8.383   9.617   2.473
  178   HH22  ARG  25          HH22      ARG  25  -8.938   9.643   0.829
  179    H    LYS  26           H        LYS  26  -6.632   0.744   1.370
  180    HA   LYS  26           HA       LYS  26  -4.787  -0.468   3.281
  181    HB2  LYS  26           HB2      LYS  26  -7.118  -1.967   2.099
  182    HB3  LYS  26           HB3      LYS  26  -5.773  -2.708   2.927
  183    HG2  LYS  26           HG2      LYS  26  -7.332  -2.675   4.589
  184    HG3  LYS  26           HG3      LYS  26  -6.488  -1.157   4.894
  185    HD2  LYS  26           HD2      LYS  26  -8.228   0.043   3.644
  186    HD3  LYS  26           HD3      LYS  26  -9.075  -1.482   3.379
  187    HE2  LYS  26           HE2      LYS  26 -10.015  -0.163   5.242
  188    HE3  LYS  26           HE3      LYS  26  -9.431  -1.748   5.741
  189    HZ1  LYS  26           HZ1      LYS  26  -8.772  -0.001   7.257
  190    HZ2  LYS  26           HZ2      LYS  26  -7.953   0.759   6.078
  191    HZ3  LYS  26           HZ3      LYS  26  -7.465  -0.705   6.587
  192    H    CYS  27           H        CYS  27  -3.105  -1.348   2.342
  193    HA   CYS  27           HA       CYS  27  -2.927  -1.704  -0.510
  194    HB2  CYS  27           HB2      CYS  27  -1.037  -2.718   1.623
  195    HB3  CYS  27           HB3      CYS  27  -0.688  -2.443  -0.068
  196    H    THR  28           H        THR  28  -3.444  -3.577  -1.541
  197    HA   THR  28           HA       THR  28  -4.262  -5.819   0.186
  198    HB   THR  28           HB       THR  28  -5.870  -6.453  -1.522
  199    HG1  THR  28           HG1      THR  28  -4.428  -5.486  -3.243
  200   HG21  THR  28          HG21      THR  28  -6.022  -3.489  -0.946
  201   HG22  THR  28          HG22      THR  28  -6.610  -4.780   0.104
  202   HG23  THR  28          HG23      THR  28  -7.368  -4.504  -1.466
  Start of MODEL    6
    1    H1   ARG   1           H1       ARG   1  12.199  -0.735   0.235
    2    H2   ARG   1           H2       ARG   1  11.072   0.412   0.004
    3    H3   ARG   1           H3       ARG   1  11.143  -0.865  -0.994
    4    HA   ARG   1           HA       ARG   1  10.509  -2.362   0.705
    5    HB2  ARG   1           HB2      ARG   1  11.547  -1.234   2.580
    6    HB3  ARG   1           HB3      ARG   1  10.479   0.148   2.389
    7    HG2  ARG   1           HG2      ARG   1   8.591  -1.119   3.097
    8    HG3  ARG   1           HG3      ARG   1   9.518  -2.619   3.065
    9    HD2  ARG   1           HD2      ARG   1  10.056  -0.272   4.880
   10    HD3  ARG   1           HD3      ARG   1   9.216  -1.751   5.348
   11    HE   ARG   1           HE       ARG   1  11.729  -2.400   4.254
   12   HH11  ARG   1          HH11      ARG   1  10.334  -0.952   7.117
   13   HH12  ARG   1          HH12      ARG   1  11.629  -1.458   8.152
   14   HH21  ARG   1          HH21      ARG   1  13.420  -3.074   5.603
   15   HH22  ARG   1          HH22      ARG   1  13.396  -2.659   7.288
   16    H    CYS   2           H        CYS   2   8.390  -2.946   0.617
   17    HA   CYS   2           HA       CYS   2   6.509  -0.849  -0.242
   18    HB2  CYS   2           HB2      CYS   2   5.336  -2.498  -1.548
   19    HB3  CYS   2           HB3      CYS   2   7.039  -2.560  -1.978
   20    H    LEU   3           H        LEU   3   4.250  -1.264   0.311
   21    HA   LEU   3           HA       LEU   3   3.984  -2.140   3.055
   22    HB2  LEU   3           HB2      LEU   3   2.046  -0.882   1.110
   23    HB3  LEU   3           HB3      LEU   3   1.672  -1.237   2.784
   24    HG   LEU   3           HG       LEU   3   3.814   0.687   1.860
   25   HD11  LEU   3          HD11      LEU   3   2.306   2.445   2.614
   26   HD12  LEU   3          HD12      LEU   3   1.077   1.239   2.994
   27   HD13  LEU   3          HD13      LEU   3   1.575   1.493   1.321
   28   HD21  LEU   3          HD21      LEU   3   3.852   1.399   4.201
   29   HD22  LEU   3          HD22      LEU   3   4.318  -0.292   4.024
   30   HD23  LEU   3          HD23      LEU   3   2.705   0.121   4.605
   31    H    HIS   4           H        HIS   4   2.807  -3.920   3.713
   32    HA   HIS   4           HA       HIS   4   2.277  -5.858   1.601
   33    HB2  HIS   4           HB2      HIS   4   2.463  -7.546   3.193
   34    HB3  HIS   4           HB3      HIS   4   3.607  -6.351   3.775
   35    HD1  HIS   4           HD1      HIS   4   1.512  -8.640   5.173
   36    HD2  HIS   4           HD2      HIS   4   1.766  -4.529   5.656
   37    HE1  HIS   4           HE1      HIS   4   0.466  -8.161   7.404
   38    HE2  HIS   4           HE2      HIS   4   0.828  -5.696   7.765
   39    H    ALA   5           H        ALA   5   0.314  -7.416   2.306
   40    HA   ALA   5           HA       ALA   5  -2.025  -5.966   1.805
   41    HB1  ALA   5           HB1      ALA   5  -1.775  -8.331   1.232
   42    HB2  ALA   5           HB2      ALA   5  -3.211  -8.056   2.218
   43    HB3  ALA   5           HB3      ALA   5  -1.762  -8.747   2.946
   44    H    GLY   6           H        GLY   6  -3.138  -4.731   3.067
   45    HA2  GLY   6           HA2      GLY   6  -4.565  -4.467   4.984
   46    HA3  GLY   6           HA3      GLY   6  -3.431  -5.449   5.912
   47    H    ALA   7           H        ALA   7  -2.071  -3.068   3.822
   48    HA   ALA   7           HA       ALA   7  -1.388  -1.451   6.200
   49    HB1  ALA   7           HB1      ALA   7   0.423  -0.533   4.855
   50    HB2  ALA   7           HB2      ALA   7  -0.142  -1.444   3.454
   51    HB3  ALA   7           HB3      ALA   7   0.489  -2.296   4.863
   52    H    ALA   8           H        ALA   8  -1.876   0.778   6.288
   53    HA   ALA   8           HA       ALA   8  -4.109   1.535   4.662
   54    HB1  ALA   8           HB1      ALA   8  -2.594   3.229   6.631
   55    HB2  ALA   8           HB2      ALA   8  -3.959   2.183   7.021
   56    HB3  ALA   8           HB3      ALA   8  -4.187   3.565   5.946
   57    H    CYS   9           H        CYS   9  -3.991   2.321   2.715
   58    HA   CYS   9           HA       CYS   9  -2.013   4.390   2.109
   59    HB2  CYS   9           HB2      CYS   9  -1.227   3.389   0.123
   60    HB3  CYS   9           HB3      CYS   9  -1.197   2.097   1.317
   61    H    SER  10           H        SER  10  -2.601   4.937  -0.489
   62    HA   SER  10           HA       SER  10  -4.098   5.936  -1.887
   63    HB2  SER  10           HB2      SER  10  -6.264   4.416  -0.417
   64    HB3  SER  10           HB3      SER  10  -6.374   5.133  -2.024
   65    HG   SER  10           HG       SER  10  -4.370   3.246  -1.498
   66    H    GLY  11           H        GLY  11  -3.526   6.744   0.987
   67    HA2  GLY  11           HA2      GLY  11  -5.785   8.564   1.453
   68    HA3  GLY  11           HA3      GLY  11  -4.534   8.162   2.622
   69    HA   PRO  12           HA       PRO  12  -3.596  12.467   0.926
   70    HB2  PRO  12           HB2      PRO  12  -2.618  12.455   3.745
   71    HB3  PRO  12           HB3      PRO  12  -3.406  13.747   2.835
   72    HG2  PRO  12           HG2      PRO  12  -4.750  12.333   4.651
   73    HG3  PRO  12           HG3      PRO  12  -5.518  12.864   3.144
   74    HD2  PRO  12           HD2      PRO  12  -4.591  10.153   3.945
   75    HD3  PRO  12           HD3      PRO  12  -5.921  10.631   2.879
   76    H    ILE  13           H        ILE  13  -1.485  13.385   0.774
   77    HA   ILE  13           HA       ILE  13   0.241  12.179  -0.651
   78    HB   ILE  13           HB       ILE  13   0.717  14.407   0.036
   79   HG12  ILE  13          HG12      ILE  13   3.054  12.562   0.606
   80   HG13  ILE  13          HG13      ILE  13   2.559  13.172  -0.969
   81   HG21  ILE  13          HG21      ILE  13   1.786  14.936   2.182
   82   HG22  ILE  13          HG22      ILE  13   1.578  13.256   2.680
   83   HG23  ILE  13          HG23      ILE  13   0.166  14.266   2.379
   84   HD11  ILE  13          HD11      ILE  13   4.484  14.376  -0.127
   85   HD12  ILE  13          HD12      ILE  13   3.582  14.835   1.316
   86   HD13  ILE  13          HD13      ILE  13   3.088  15.442  -0.263
   87    H    GLN  14           H        GLN  14   0.484  10.059  -0.583
   88    HA   GLN  14           HA       GLN  14   2.183   8.961   1.549
   89    HB2  GLN  14           HB2      GLN  14   0.026   8.041   1.970
   90    HB3  GLN  14           HB3      GLN  14  -0.269   7.759   0.261
   91    HG2  GLN  14           HG2      GLN  14   2.065   6.318   1.031
   92    HG3  GLN  14           HG3      GLN  14   0.776   5.972   2.180
   93   HE21  GLN  14          HE21      GLN  14   2.016   4.266   0.131
   94   HE22  GLN  14          HE22      GLN  14   0.733   3.717  -0.889
   95    H    LYS  15           H        LYS  15   4.039   9.278   0.201
   96    HA   LYS  15           HA       LYS  15   4.052   7.603  -2.197
   97    HB2  LYS  15           HB2      LYS  15   6.260   9.283  -0.983
   98    HB3  LYS  15           HB3      LYS  15   6.316   8.491  -2.551
   99    HG2  LYS  15           HG2      LYS  15   4.421  10.701  -1.772
  100    HG3  LYS  15           HG3      LYS  15   5.894  10.902  -2.720
  101    HD2  LYS  15           HD2      LYS  15   3.548   9.181  -3.523
  102    HD3  LYS  15           HD3      LYS  15   3.837  10.821  -4.100
  103    HE2  LYS  15           HE2      LYS  15   6.026  10.054  -5.000
  104    HE3  LYS  15           HE3      LYS  15   5.595   8.409  -4.534
  105    HZ1  LYS  15           HZ1      LYS  15   3.679   8.601  -5.994
  106    HZ2  LYS  15           HZ2      LYS  15   5.070   8.786  -6.815
  107    HZ3  LYS  15           HZ3      LYS  15   4.158  10.085  -6.466
  108    H    ILE  16           H        ILE  16   3.989   5.602  -1.533
  109    HA   ILE  16           HA       ILE  16   6.325   4.233  -0.726
  110    HB   ILE  16           HB       ILE  16   3.975   3.989   1.183
  111   HG12  ILE  16          HG12      ILE  16   6.702   5.198   1.630
  112   HG13  ILE  16          HG13      ILE  16   5.144   5.989   1.810
  113   HG21  ILE  16          HG21      ILE  16   5.399   2.399   2.378
  114   HG22  ILE  16          HG22      ILE  16   6.661   2.617   1.167
  115   HG23  ILE  16          HG23      ILE  16   5.123   1.887   0.712
  116   HD11  ILE  16          HD11      ILE  16   6.200   3.767   3.535
  117   HD12  ILE  16          HD12      ILE  16   4.631   4.555   3.709
  118   HD13  ILE  16          HD13      ILE  16   6.114   5.475   3.965
  119    HA   PRO  17           HA       PRO  17   3.326   2.147  -3.420
  120    HB2  PRO  17           HB2      PRO  17   5.094   0.508  -4.692
  121    HB3  PRO  17           HB3      PRO  17   4.844   2.196  -5.151
  122    HG2  PRO  17           HG2      PRO  17   7.032   0.975  -3.529
  123    HG3  PRO  17           HG3      PRO  17   7.117   2.273  -4.731
  124    HD2  PRO  17           HD2      PRO  17   7.127   2.698  -2.026
  125    HD3  PRO  17           HD3      PRO  17   6.537   3.884  -3.205
  126    H    CYS  18           H        CYS  18   2.097   0.498  -2.726
  127    HA   CYS  18           HA       CYS  18   3.164  -1.393  -0.824
  128    HB2  CYS  18           HB2      CYS  18   0.450  -1.608  -2.081
  129    HB3  CYS  18           HB3      CYS  18   0.979  -2.120  -0.488
  130    H    CYS  19           H        CYS  19   3.313  -3.658  -1.157
  131    HA   CYS  19           HA       CYS  19   3.239  -4.502  -3.955
  132    HB2  CYS  19           HB2      CYS  19   3.859  -6.000  -1.388
  133    HB3  CYS  19           HB3      CYS  19   3.856  -6.751  -2.978
  134    H    GLY  20           H        GLY  20   1.063  -3.944  -4.218
  135    HA2  GLY  20           HA2      GLY  20  -0.892  -5.868  -3.947
  136    HA3  GLY  20           HA3      GLY  20  -1.018  -4.850  -2.514
  137    H    THR  21           H        THR  21  -3.190  -4.747  -3.982
  138    HA   THR  21           HA       THR  21  -3.025  -2.372  -5.676
  139    HB   THR  21           HB       THR  21  -5.423  -3.942  -4.728
  140    HG1  THR  21           HG1      THR  21  -4.724  -5.279  -6.217
  141   HG21  THR  21          HG21      THR  21  -6.585  -2.766  -6.614
  142   HG22  THR  21          HG22      THR  21  -5.180  -1.706  -6.729
  143   HG23  THR  21          HG23      THR  21  -6.147  -1.738  -5.250
  144    H    CYS  22           H        CYS  22  -3.284  -0.340  -4.871
  145    HA   CYS  22           HA       CYS  22  -3.822   0.038  -2.090
  146    HB2  CYS  22           HB2      CYS  22  -2.906   1.631  -4.341
  147    HB3  CYS  22           HB3      CYS  22  -4.012   2.522  -3.300
  148    H    SER  23           H        SER  23  -5.808  -0.465  -1.460
  149    HA   SER  23           HA       SER  23  -8.070   0.627  -2.965
  150    HB2  SER  23           HB2      SER  23  -7.681  -2.107  -1.747
  151    HB3  SER  23           HB3      SER  23  -9.228  -1.513  -2.311
  152    HG   SER  23           HG       SER  23  -7.754  -1.046  -4.313
  153    H    ARG  24           H        ARG  24  -9.074   2.064  -1.786
  154    HA   ARG  24           HA       ARG  24  -9.882   3.264  -0.030
  155    HB2  ARG  24           HB2      ARG  24 -11.586   2.028   1.261
  156    HB3  ARG  24           HB3      ARG  24 -11.696   1.765  -0.471
  157    HG2  ARG  24           HG2      ARG  24 -10.732  -0.416  -0.267
  158    HG3  ARG  24           HG3      ARG  24 -10.370  -0.146   1.439
  159    HD2  ARG  24           HD2      ARG  24 -12.362  -1.540   1.109
  160    HD3  ARG  24           HD3      ARG  24 -12.719  -0.037   1.956
  161    HE   ARG  24           HE       ARG  24 -13.111   0.227  -0.853
  162   HH11  ARG  24          HH11      ARG  24 -14.577  -0.996   2.066
  163   HH12  ARG  24          HH12      ARG  24 -16.196  -0.897   1.451
  164   HH21  ARG  24          HH21      ARG  24 -15.233   0.404  -1.661
  165   HH22  ARG  24          HH22      ARG  24 -16.570  -0.084  -0.666
  166    H    ARG  25           H        ARG  25  -7.399   3.141   0.700
  167    HA   ARG  25           HA       ARG  25  -6.074   3.477   2.489
  168    HB2  ARG  25           HB2      ARG  25  -8.693   3.182   3.859
  169    HB3  ARG  25           HB3      ARG  25  -7.233   3.094   4.837
  170    HG2  ARG  25           HG2      ARG  25  -6.547   5.271   4.106
  171    HG3  ARG  25           HG3      ARG  25  -7.899   5.362   2.973
  172    HD2  ARG  25           HD2      ARG  25  -8.396   6.654   4.955
  173    HD3  ARG  25           HD3      ARG  25  -9.461   5.252   4.874
  174    HE   ARG  25           HE       ARG  25  -7.611   4.275   6.452
  175   HH11  ARG  25          HH11      ARG  25  -8.996   7.489   6.480
  176   HH12  ARG  25          HH12      ARG  25  -8.739   7.718   8.181
  177   HH21  ARG  25          HH21      ARG  25  -7.284   4.575   8.692
  178   HH22  ARG  25          HH22      ARG  25  -7.776   6.063   9.436
  179    H    LYS  26           H        LYS  26  -6.704   0.704   1.327
  180    HA   LYS  26           HA       LYS  26  -4.870  -0.540   3.244
  181    HB2  LYS  26           HB2      LYS  26  -7.093  -2.077   1.910
  182    HB3  LYS  26           HB3      LYS  26  -5.880  -2.720   2.990
  183    HG2  LYS  26           HG2      LYS  26  -7.582  -2.573   4.462
  184    HG3  LYS  26           HG3      LYS  26  -6.947  -0.937   4.641
  185    HD2  LYS  26           HD2      LYS  26  -8.607  -0.088   3.097
  186    HD3  LYS  26           HD3      LYS  26  -9.205  -1.720   2.792
  187    HE2  LYS  26           HE2      LYS  26  -9.288  -0.253   5.429
  188    HE3  LYS  26           HE3      LYS  26 -10.654  -0.521   4.348
  189    HZ1  LYS  26           HZ1      LYS  26 -10.343  -2.893   4.703
  190    HZ2  LYS  26           HZ2      LYS  26 -10.661  -2.122   6.095
  191    HZ3  LYS  26           HZ3      LYS  26  -9.145  -2.598   5.767
  192    H    CYS  27           H        CYS  27  -3.148  -1.413   2.314
  193    HA   CYS  27           HA       CYS  27  -2.951  -1.716  -0.545
  194    HB2  CYS  27           HB2      CYS  27  -1.066  -2.723   1.601
  195    HB3  CYS  27           HB3      CYS  27  -0.709  -2.478  -0.095
  196    H    THR  28           H        THR  28  -3.533  -3.535  -1.582
  197    HA   THR  28           HA       THR  28  -4.385  -5.771   0.127
  198    HB   THR  28           HB       THR  28  -6.171  -6.213  -1.551
  199    HG1  THR  28           HG1      THR  28  -5.461  -3.658  -2.610
  200   HG21  THR  28          HG21      THR  28  -6.758  -4.951   0.422
  201   HG22  THR  28          HG22      THR  28  -7.592  -4.250  -0.968
  202   HG23  THR  28          HG23      THR  28  -6.159  -3.462  -0.306
  Start of MODEL    7
    1    H1   ARG   1           H1       ARG   1  12.130  -0.489  -0.297
    2    H2   ARG   1           H2       ARG   1  10.934   0.470  -0.830
    3    H3   ARG   1           H3       ARG   1  11.180  -0.977  -1.525
    4    HA   ARG   1           HA       ARG   1  10.563  -2.127   0.456
    5    HB2  ARG   1           HB2      ARG   1   9.686  -0.882   2.356
    6    HB3  ARG   1           HB3      ARG   1  11.323  -0.343   2.008
    7    HG2  ARG   1           HG2      ARG   1  10.440   1.616   0.855
    8    HG3  ARG   1           HG3      ARG   1   8.797   1.077   1.196
    9    HD2  ARG   1           HD2      ARG   1   9.498   2.795   2.774
   10    HD3  ARG   1           HD3      ARG   1   9.231   1.258   3.591
   11    HE   ARG   1           HE       ARG   1  11.516   1.076   3.987
   12   HH11  ARG   1          HH11      ARG   1  10.815   3.907   2.043
   13   HH12  ARG   1          HH12      ARG   1  12.340   4.666   2.374
   14   HH21  ARG   1          HH21      ARG   1  13.522   2.072   4.416
   15   HH22  ARG   1          HH22      ARG   1  13.880   3.623   3.724
   16    H    CYS   2           H        CYS   2   8.290  -2.584   0.934
   17    HA   CYS   2           HA       CYS   2   6.345  -0.889  -0.397
   18    HB2  CYS   2           HB2      CYS   2   5.362  -2.625  -1.730
   19    HB3  CYS   2           HB3      CYS   2   7.071  -2.534  -2.121
   20    H    LEU   3           H        LEU   3   4.230  -1.215   0.285
   21    HA   LEU   3           HA       LEU   3   4.032  -2.122   3.002
   22    HB2  LEU   3           HB2      LEU   3   2.055  -0.884   1.093
   23    HB3  LEU   3           HB3      LEU   3   1.675  -1.274   2.760
   24    HG   LEU   3           HG       LEU   3   3.831   0.664   1.899
   25   HD11  LEU   3          HD11      LEU   3   1.620   1.496   1.310
   26   HD12  LEU   3          HD12      LEU   3   2.310   2.415   2.649
   27   HD13  LEU   3          HD13      LEU   3   1.063   1.206   2.958
   28   HD21  LEU   3          HD21      LEU   3   3.792   1.348   4.257
   29   HD22  LEU   3          HD22      LEU   3   4.287  -0.333   4.058
   30   HD23  LEU   3          HD23      LEU   3   2.655   0.047   4.604
   31    H    HIS   4           H        HIS   4   2.838  -3.817   3.768
   32    HA   HIS   4           HA       HIS   4   2.358  -5.946   1.857
   33    HB2  HIS   4           HB2      HIS   4   2.361  -7.424   3.684
   34    HB3  HIS   4           HB3      HIS   4   3.534  -6.202   4.140
   35    HD1  HIS   4           HD1      HIS   4   1.143  -8.142   5.682
   36    HD2  HIS   4           HD2      HIS   4   1.818  -4.050   5.685
   37    HE1  HIS   4           HE1      HIS   4   0.033  -7.280   7.768
   38    HE2  HIS   4           HE2      HIS   4   0.328  -4.777   7.671
   39    H    ALA   5           H        ALA   5   0.362  -7.395   2.509
   40    HA   ALA   5           HA       ALA   5  -1.963  -5.932   1.859
   41    HB1  ALA   5           HB1      ALA   5  -3.143  -8.046   2.138
   42    HB2  ALA   5           HB2      ALA   5  -1.723  -8.748   2.916
   43    HB3  ALA   5           HB3      ALA   5  -1.655  -8.272   1.218
   44    H    GLY   6           H        GLY   6  -3.018  -4.652   3.152
   45    HA2  GLY   6           HA2      GLY   6  -4.513  -4.483   5.064
   46    HA3  GLY   6           HA3      GLY   6  -3.345  -5.437   5.981
   47    H    ALA   7           H        ALA   7  -2.061  -3.061   3.859
   48    HA   ALA   7           HA       ALA   7  -1.360  -1.407   6.208
   49    HB1  ALA   7           HB1      ALA   7   0.517  -2.227   4.882
   50    HB2  ALA   7           HB2      ALA   7   0.403  -0.470   4.793
   51    HB3  ALA   7           HB3      ALA   7  -0.157  -1.460   3.445
   52    H    ALA   8           H        ALA   8  -1.650   0.899   6.119
   53    HA   ALA   8           HA       ALA   8  -4.013   1.593   4.605
   54    HB1  ALA   8           HB1      ALA   8  -2.436   3.300   6.512
   55    HB2  ALA   8           HB2      ALA   8  -3.800   2.274   6.949
   56    HB3  ALA   8           HB3      ALA   8  -4.041   3.645   5.861
   57    H    CYS   9           H        CYS   9  -3.948   2.383   2.649
   58    HA   CYS   9           HA       CYS   9  -1.939   4.402   1.989
   59    HB2  CYS   9           HB2      CYS   9  -1.250   3.353  -0.042
   60    HB3  CYS   9           HB3      CYS   9  -1.078   2.165   1.246
   61    H    SER  10           H        SER  10  -2.477   5.052  -0.520
   62    HA   SER  10           HA       SER  10  -3.905   6.214  -1.855
   63    HB2  SER  10           HB2      SER  10  -5.997   4.366  -0.685
   64    HB3  SER  10           HB3      SER  10  -6.271   5.464  -2.038
   65    HG   SER  10           HG       SER  10  -4.110   4.102  -2.632
   66    H    GLY  11           H        GLY  11  -3.582   6.633   1.185
   67    HA2  GLY  11           HA2      GLY  11  -5.839   8.434   1.680
   68    HA3  GLY  11           HA3      GLY  11  -4.634   7.929   2.861
   69    HA   PRO  12           HA       PRO  12  -3.751  12.448   1.743
   70    HB2  PRO  12           HB2      PRO  12  -2.535  11.855   4.416
   71    HB3  PRO  12           HB3      PRO  12  -3.301  13.339   3.838
   72    HG2  PRO  12           HG2      PRO  12  -4.609  11.649   5.439
   73    HG3  PRO  12           HG3      PRO  12  -5.438  12.515   4.135
   74    HD2  PRO  12           HD2      PRO  12  -4.715   9.653   4.333
   75    HD3  PRO  12           HD3      PRO  12  -5.999  10.435   3.393
   76    H    ILE  13           H        ILE  13  -1.841  13.173   0.976
   77    HA   ILE  13           HA       ILE  13  -0.323  11.866  -0.585
   78    HB   ILE  13           HB       ILE  13   0.146  14.171  -0.284
   79   HG12  ILE  13          HG12      ILE  13   2.667  12.569   0.204
   80   HG13  ILE  13          HG13      ILE  13   1.894  12.809  -1.358
   81   HG21  ILE  13          HG21      ILE  13  -0.039  14.308   2.129
   82   HG22  ILE  13          HG22      ILE  13   1.466  15.042   1.580
   83   HG23  ILE  13          HG23      ILE  13   1.483  13.439   2.312
   84   HD11  ILE  13          HD11      ILE  13   3.088  14.969   0.363
   85   HD12  ILE  13          HD12      ILE  13   2.328  15.198  -1.211
   86   HD13  ILE  13          HD13      ILE  13   3.817  14.264  -1.080
   87    H    GLN  14           H        GLN  14   0.103   9.801  -0.357
   88    HA   GLN  14           HA       GLN  14   2.084   8.994   1.659
   89    HB2  GLN  14           HB2      GLN  14   0.144   7.893   2.362
   90    HB3  GLN  14           HB3      GLN  14  -0.423   7.636   0.722
   91    HG2  GLN  14           HG2      GLN  14   2.078   6.252   1.269
   92    HG3  GLN  14           HG3      GLN  14   0.774   5.765   2.349
   93   HE21  GLN  14          HE21      GLN  14   2.059   4.205   0.250
   94   HE22  GLN  14          HE22      GLN  14   0.816   3.752  -0.871
   95    H    LYS  15           H        LYS  15   3.871   9.199   0.309
   96    HA   LYS  15           HA       LYS  15   3.795   7.480  -2.047
   97    HB2  LYS  15           HB2      LYS  15   6.183   8.348  -2.349
   98    HB3  LYS  15           HB3      LYS  15   4.870   9.490  -2.580
   99    HG2  LYS  15           HG2      LYS  15   5.251  10.291  -0.248
  100    HG3  LYS  15           HG3      LYS  15   6.675   9.250  -0.182
  101    HD2  LYS  15           HD2      LYS  15   7.296  11.538  -0.747
  102    HD3  LYS  15           HD3      LYS  15   7.629  10.449  -2.095
  103    HE2  LYS  15           HE2      LYS  15   5.567  11.158  -3.188
  104    HE3  LYS  15           HE3      LYS  15   5.195  12.214  -1.828
  105    HZ1  LYS  15           HZ1      LYS  15   7.556  12.490  -3.543
  106    HZ2  LYS  15           HZ2      LYS  15   7.104  13.508  -2.362
  107    HZ3  LYS  15           HZ3      LYS  15   6.195  13.368  -3.703
  108    H    ILE  16           H        ILE  16   3.825   5.518  -1.412
  109    HA   ILE  16           HA       ILE  16   6.251   4.216  -0.766
  110    HB   ILE  16           HB       ILE  16   4.008   3.865   1.257
  111   HG12  ILE  16          HG12      ILE  16   6.757   5.063   1.560
  112   HG13  ILE  16          HG13      ILE  16   5.211   5.832   1.883
  113   HG21  ILE  16          HG21      ILE  16   6.680   2.485   1.012
  114   HG22  ILE  16          HG22      ILE  16   5.104   1.779   0.658
  115   HG23  ILE  16          HG23      ILE  16   5.512   2.238   2.311
  116   HD11  ILE  16          HD11      ILE  16   6.367   5.231   3.938
  117   HD12  ILE  16          HD12      ILE  16   6.375   3.539   3.441
  118   HD13  ILE  16          HD13      ILE  16   4.847   4.355   3.770
  119    HA   PRO  17           HA       PRO  17   3.268   2.104  -3.448
  120    HB2  PRO  17           HB2      PRO  17   5.082   0.474  -4.696
  121    HB3  PRO  17           HB3      PRO  17   4.753   2.134  -5.198
  122    HG2  PRO  17           HG2      PRO  17   7.017   1.048  -3.592
  123    HG3  PRO  17           HG3      PRO  17   7.018   2.342  -4.802
  124    HD2  PRO  17           HD2      PRO  17   7.065   2.782  -2.104
  125    HD3  PRO  17           HD3      PRO  17   6.386   3.931  -3.273
  126    H    CYS  18           H        CYS  18   2.056   0.460  -2.719
  127    HA   CYS  18           HA       CYS  18   3.156  -1.422  -0.830
  128    HB2  CYS  18           HB2      CYS  18   0.419  -1.615  -2.053
  129    HB3  CYS  18           HB3      CYS  18   0.966  -2.170  -0.479
  130    H    CYS  19           H        CYS  19   3.369  -3.671  -1.157
  131    HA   CYS  19           HA       CYS  19   3.324  -4.520  -3.948
  132    HB2  CYS  19           HB2      CYS  19   3.980  -5.960  -1.363
  133    HB3  CYS  19           HB3      CYS  19   3.881  -6.796  -2.909
  134    H    GLY  20           H        GLY  20   1.175  -3.996  -4.274
  135    HA2  GLY  20           HA2      GLY  20  -0.772  -5.930  -4.064
  136    HA3  GLY  20           HA3      GLY  20  -0.952  -4.911  -2.637
  137    H    THR  21           H        THR  21  -3.070  -4.809  -4.178
  138    HA   THR  21           HA       THR  21  -2.817  -2.359  -5.759
  139    HB   THR  21           HB       THR  21  -5.302  -3.958  -5.130
  140    HG1  THR  21           HG1      THR  21  -3.264  -4.385  -6.912
  141   HG21  THR  21          HG21      THR  21  -4.777  -1.839  -7.211
  142   HG22  THR  21          HG22      THR  21  -5.738  -1.634  -5.748
  143   HG23  THR  21          HG23      THR  21  -6.279  -2.739  -7.011
  144    H    CYS  22           H        CYS  22  -3.237  -0.391  -4.875
  145    HA   CYS  22           HA       CYS  22  -3.942  -0.201  -2.115
  146    HB2  CYS  22           HB2      CYS  22  -2.989   1.592  -4.243
  147    HB3  CYS  22           HB3      CYS  22  -4.009   2.352  -3.030
  148    H    SER  23           H        SER  23  -5.930  -0.312  -1.388
  149    HA   SER  23           HA       SER  23  -8.113   0.792  -3.012
  150    HB2  SER  23           HB2      SER  23  -7.965  -1.692  -3.289
  151    HB3  SER  23           HB3      SER  23  -8.219  -1.860  -1.554
  152    HG   SER  23           HG       SER  23 -10.009  -0.731  -3.449
  153    H    ARG  24           H        ARG  24  -8.931   2.388  -1.867
  154    HA   ARG  24           HA       ARG  24  -9.645   3.663  -0.128
  155    HB2  ARG  24           HB2      ARG  24 -11.514   2.447   1.162
  156    HB3  ARG  24           HB3      ARG  24 -11.679   2.676  -0.568
  157    HG2  ARG  24           HG2      ARG  24 -12.315   0.514  -0.458
  158    HG3  ARG  24           HG3      ARG  24 -10.578   0.252  -0.597
  159    HD2  ARG  24           HD2      ARG  24 -11.457  -1.140   1.160
  160    HD3  ARG  24           HD3      ARG  24 -10.443   0.117   1.867
  161    HE   ARG  24           HE       ARG  24 -12.843   1.247   2.049
  162   HH11  ARG  24          HH11      ARG  24 -11.818  -2.010   2.841
  163   HH12  ARG  24          HH12      ARG  24 -13.014  -2.212   4.081
  164   HH21  ARG  24          HH21      ARG  24 -14.420   0.971   3.657
  165   HH22  ARG  24          HH22      ARG  24 -14.502  -0.521   4.540
  166    H    ARG  25           H        ARG  25  -7.303   3.301   0.671
  167    HA   ARG  25           HA       ARG  25  -6.002   3.592   2.470
  168    HB2  ARG  25           HB2      ARG  25  -8.629   3.415   3.830
  169    HB3  ARG  25           HB3      ARG  25  -7.182   3.226   4.814
  170    HG2  ARG  25           HG2      ARG  25  -6.338   5.364   3.943
  171    HG3  ARG  25           HG3      ARG  25  -7.845   5.568   3.041
  172    HD2  ARG  25           HD2      ARG  25  -9.078   5.456   5.197
  173    HD3  ARG  25           HD3      ARG  25  -7.529   5.399   6.036
  174    HE   ARG  25           HE       ARG  25  -8.249   7.666   4.297
  175   HH11  ARG  25          HH11      ARG  25  -7.193   6.420   7.392
  176   HH12  ARG  25          HH12      ARG  25  -6.911   7.990   8.067
  177   HH21  ARG  25          HH21      ARG  25  -7.874   9.733   5.187
  178   HH22  ARG  25          HH22      ARG  25  -7.292   9.875   6.815
  179    H    LYS  26           H        LYS  26  -6.685   0.839   1.297
  180    HA   LYS  26           HA       LYS  26  -4.890  -0.438   3.226
  181    HB2  LYS  26           HB2      LYS  26  -7.233  -1.853   1.971
  182    HB3  LYS  26           HB3      LYS  26  -5.959  -2.623   2.880
  183    HG2  LYS  26           HG2      LYS  26  -7.639  -2.502   4.434
  184    HG3  LYS  26           HG3      LYS  26  -6.706  -1.054   4.801
  185    HD2  LYS  26           HD2      LYS  26  -8.280   0.332   3.654
  186    HD3  LYS  26           HD3      LYS  26  -9.130  -1.074   3.013
  187    HE2  LYS  26           HE2      LYS  26 -10.342  -0.071   4.884
  188    HE3  LYS  26           HE3      LYS  26  -9.809  -1.708   5.262
  189    HZ1  LYS  26           HZ1      LYS  26  -8.510   0.765   6.162
  190    HZ2  LYS  26           HZ2      LYS  26  -7.978  -0.736   6.486
  191    HZ3  LYS  26           HZ3      LYS  26  -9.402  -0.237   7.086
  192    H    CYS  27           H        CYS  27  -3.210  -1.426   2.323
  193    HA   CYS  27           HA       CYS  27  -3.008  -1.738  -0.544
  194    HB2  CYS  27           HB2      CYS  27  -1.121  -2.779   1.582
  195    HB3  CYS  27           HB3      CYS  27  -0.770  -2.497  -0.107
  196    H    THR  28           H        THR  28  -3.546  -3.589  -1.580
  197    HA   THR  28           HA       THR  28  -4.268  -5.900   0.103
  198    HB   THR  28           HB       THR  28  -6.037  -6.454  -1.474
  199    HG1  THR  28           HG1      THR  28  -4.782  -5.333  -3.267
  200   HG21  THR  28          HG21      THR  28  -7.526  -4.502  -1.179
  201   HG22  THR  28          HG22      THR  28  -6.138  -3.547  -0.658
  202   HG23  THR  28          HG23      THR  28  -6.669  -4.926   0.302
  Start of MODEL    8
    1    H1   ARG   1           H1       ARG   1  12.303  -1.064  -0.359
    2    H2   ARG   1           H2       ARG   1  11.216   0.131  -0.514
    3    H3   ARG   1           H3       ARG   1  11.185  -1.125  -1.541
    4    HA   ARG   1           HA       ARG   1  10.608  -2.633   0.201
    5    HB2  ARG   1           HB2      ARG   1  10.040  -1.755   2.404
    6    HB3  ARG   1           HB3      ARG   1  11.710  -1.374   2.013
    7    HG2  ARG   1           HG2      ARG   1  11.054   0.909   1.432
    8    HG3  ARG   1           HG3      ARG   1   9.377   0.524   1.827
    9    HD2  ARG   1           HD2      ARG   1  10.043   0.022   4.127
   10    HD3  ARG   1           HD3      ARG   1  11.713   0.412   3.730
   11    HE   ARG   1           HE       ARG   1  10.099   2.614   3.091
   12   HH11  ARG   1          HH11      ARG   1  11.221   0.841   5.892
   13   HH12  ARG   1          HH12      ARG   1  11.177   2.219   6.942
   14   HH21  ARG   1          HH21      ARG   1  10.032   4.431   4.475
   15   HH22  ARG   1          HH22      ARG   1  10.491   4.261   6.137
   16    H    CYS   2           H        CYS   2   8.319  -2.825   0.985
   17    HA   CYS   2           HA       CYS   2   6.533  -0.854  -0.232
   18    HB2  CYS   2           HB2      CYS   2   5.284  -2.514  -1.453
   19    HB3  CYS   2           HB3      CYS   2   6.974  -2.648  -1.918
   20    H    LEU   3           H        LEU   3   4.246  -1.321   0.322
   21    HA   LEU   3           HA       LEU   3   3.992  -2.126   3.101
   22    HB2  LEU   3           HB2      LEU   3   2.053  -0.886   1.143
   23    HB3  LEU   3           HB3      LEU   3   1.683  -1.221   2.824
   24    HG   LEU   3           HG       LEU   3   3.815   0.694   1.862
   25   HD11  LEU   3          HD11      LEU   3   2.310   2.452   2.621
   26   HD12  LEU   3          HD12      LEU   3   1.088   1.243   3.019
   27   HD13  LEU   3          HD13      LEU   3   1.571   1.489   1.340
   28   HD21  LEU   3          HD21      LEU   3   3.877   1.425   4.198
   29   HD22  LEU   3          HD22      LEU   3   4.350  -0.264   4.027
   30   HD23  LEU   3          HD23      LEU   3   2.742   0.144   4.623
   31    H    HIS   4           H        HIS   4   2.877  -3.923   3.754
   32    HA   HIS   4           HA       HIS   4   2.341  -5.879   1.675
   33    HB2  HIS   4           HB2      HIS   4   2.337  -7.531   3.378
   34    HB3  HIS   4           HB3      HIS   4   3.633  -6.422   3.791
   35    HD1  HIS   4           HD1      HIS   4   1.301  -8.325   5.457
   36    HD2  HIS   4           HD2      HIS   4   2.241  -4.295   5.642
   37    HE1  HIS   4           HE1      HIS   4   0.507  -7.552   7.714
   38    HE2  HIS   4           HE2      HIS   4   1.270  -5.160   7.877
   39    H    ALA   5           H        ALA   5   0.377  -7.430   2.444
   40    HA   ALA   5           HA       ALA   5  -1.964  -6.023   1.813
   41    HB1  ALA   5           HB1      ALA   5  -1.672  -8.398   1.315
   42    HB2  ALA   5           HB2      ALA   5  -3.132  -8.117   2.260
   43    HB3  ALA   5           HB3      ALA   5  -1.689  -8.766   3.037
   44    H    GLY   6           H        GLY   6  -3.181  -4.817   3.005
   45    HA2  GLY   6           HA2      GLY   6  -4.647  -4.484   4.855
   46    HA3  GLY   6           HA3      GLY   6  -3.578  -5.483   5.842
   47    H    ALA   7           H        ALA   7  -2.127  -3.121   3.788
   48    HA   ALA   7           HA       ALA   7  -1.432  -1.553   6.197
   49    HB1  ALA   7           HB1      ALA   7   0.414  -0.658   4.856
   50    HB2  ALA   7           HB2      ALA   7  -0.144  -1.596   3.470
   51    HB3  ALA   7           HB3      ALA   7   0.450  -2.420   4.911
   52    H    ALA   8           H        ALA   8  -1.840   0.684   6.299
   53    HA   ALA   8           HA       ALA   8  -4.053   1.537   4.711
   54    HB1  ALA   8           HB1      ALA   8  -4.002   3.581   5.987
   55    HB2  ALA   8           HB2      ALA   8  -2.412   3.167   6.637
   56    HB3  ALA   8           HB3      ALA   8  -3.819   2.192   7.062
   57    H    CYS   9           H        CYS   9  -3.980   2.358   2.777
   58    HA   CYS   9           HA       CYS   9  -1.970   4.362   2.124
   59    HB2  CYS   9           HB2      CYS   9  -1.201   3.335   0.140
   60    HB3  CYS   9           HB3      CYS   9  -1.139   2.077   1.371
   61    H    SER  10           H        SER  10  -2.489   5.095  -0.315
   62    HA   SER  10           HA       SER  10  -3.925   6.087  -1.766
   63    HB2  SER  10           HB2      SER  10  -6.126   4.473  -0.461
   64    HB3  SER  10           HB3      SER  10  -6.231   5.337  -1.997
   65    HG   SER  10           HG       SER  10  -4.513   3.160  -1.390
   66    H    GLY  11           H        GLY  11  -3.651   6.622   1.317
   67    HA2  GLY  11           HA2      GLY  11  -5.813   8.536   1.683
   68    HA3  GLY  11           HA3      GLY  11  -4.544   8.159   2.839
   69    HA   PRO  12           HA       PRO  12  -3.742  12.524   1.187
   70    HB2  PRO  12           HB2      PRO  12  -2.491  12.300   3.896
   71    HB3  PRO  12           HB3      PRO  12  -3.298  13.679   3.143
   72    HG2  PRO  12           HG2      PRO  12  -4.537  12.171   4.971
   73    HG3  PRO  12           HG3      PRO  12  -5.408  12.866   3.593
   74    HD2  PRO  12           HD2      PRO  12  -4.644  10.057   4.113
   75    HD3  PRO  12           HD3      PRO  12  -5.950  10.712   3.110
   76    H    ILE  13           H        ILE  13  -1.750  13.336   0.579
   77    HA   ILE  13           HA       ILE  13  -0.211  12.033  -0.964
   78    HB   ILE  13           HB       ILE  13   0.307  14.311  -0.604
   79   HG12  ILE  13          HG12      ILE  13   2.742  12.598  -0.064
   80   HG13  ILE  13          HG13      ILE  13   2.065  12.974  -1.643
   81   HG21  ILE  13          HG21      ILE  13   0.017  14.401   1.805
   82   HG22  ILE  13          HG22      ILE  13   1.547  15.133   1.324
   83   HG23  ILE  13          HG23      ILE  13   1.527  13.516   2.030
   84   HD11  ILE  13          HD11      ILE  13   2.617  15.313  -1.345
   85   HD12  ILE  13          HD12      ILE  13   4.048  14.300  -1.153
   86   HD13  ILE  13          HD13      ILE  13   3.246  14.973   0.266
   87    H    GLN  14           H        GLN  14   0.158   9.952  -0.766
   88    HA   GLN  14           HA       GLN  14   2.060   9.074   1.292
   89    HB2  GLN  14           HB2      GLN  14  -0.009   8.112   1.931
   90    HB3  GLN  14           HB3      GLN  14  -0.433   7.727   0.271
   91    HG2  GLN  14           HG2      GLN  14   2.013   6.411   1.063
   92    HG3  GLN  14           HG3      GLN  14   0.689   6.023   2.153
   93   HE21  GLN  14          HE21      GLN  14   2.081   4.344   0.186
   94   HE22  GLN  14          HE22      GLN  14   0.867   3.743  -0.893
   95    H    LYS  15           H        LYS  15   3.831   9.311  -0.127
   96    HA   LYS  15           HA       LYS  15   3.788   7.440  -2.365
   97    HB2  LYS  15           HB2      LYS  15   6.168   8.268  -2.711
   98    HB3  LYS  15           HB3      LYS  15   4.897   9.458  -2.942
   99    HG2  LYS  15           HG2      LYS  15   5.336  10.321  -0.672
  100    HG3  LYS  15           HG3      LYS  15   6.670   9.177  -0.523
  101    HD2  LYS  15           HD2      LYS  15   7.835  10.223  -2.354
  102    HD3  LYS  15           HD3      LYS  15   6.456  11.275  -2.679
  103    HE2  LYS  15           HE2      LYS  15   6.741  12.238  -0.399
  104    HE3  LYS  15           HE3      LYS  15   8.210  11.282  -0.228
  105    HZ1  LYS  15           HZ1      LYS  15   9.098  12.459  -2.129
  106    HZ2  LYS  15           HZ2      LYS  15   8.705  13.500  -0.946
  107    HZ3  LYS  15           HZ3      LYS  15   7.746  13.358  -2.249
  108    H    ILE  16           H        ILE  16   3.812   5.505  -1.642
  109    HA   ILE  16           HA       ILE  16   6.193   4.243  -0.757
  110    HB   ILE  16           HB       ILE  16   3.805   3.906   1.084
  111   HG12  ILE  16          HG12      ILE  16   6.408   5.336   1.625
  112   HG13  ILE  16          HG13      ILE  16   4.797   6.034   1.649
  113   HG21  ILE  16          HG21      ILE  16   5.181   1.905   0.706
  114   HG22  ILE  16          HG22      ILE  16   5.288   2.469   2.375
  115   HG23  ILE  16          HG23      ILE  16   6.606   2.793   1.248
  116   HD11  ILE  16          HD11      ILE  16   5.853   3.969   3.557
  117   HD12  ILE  16          HD12      ILE  16   4.225   4.647   3.573
  118   HD13  ILE  16          HD13      ILE  16   5.616   5.684   3.896
  119    HA   PRO  17           HA       PRO  17   3.313   2.025  -3.457
  120    HB2  PRO  17           HB2      PRO  17   5.134   0.366  -4.623
  121    HB3  PRO  17           HB3      PRO  17   4.871   2.033  -5.147
  122    HG2  PRO  17           HG2      PRO  17   7.036   0.903  -3.432
  123    HG3  PRO  17           HG3      PRO  17   7.126   2.163  -4.675
  124    HD2  PRO  17           HD2      PRO  17   7.065   2.672  -1.986
  125    HD3  PRO  17           HD3      PRO  17   6.485   3.814  -3.216
  126    H    CYS  18           H        CYS  18   2.078   0.425  -2.688
  127    HA   CYS  18           HA       CYS  18   3.146  -1.451  -0.776
  128    HB2  CYS  18           HB2      CYS  18   0.432  -1.653  -2.041
  129    HB3  CYS  18           HB3      CYS  18   0.959  -2.197  -0.457
  130    H    CYS  19           H        CYS  19   3.301  -3.722  -1.100
  131    HA   CYS  19           HA       CYS  19   3.324  -4.547  -3.897
  132    HB2  CYS  19           HB2      CYS  19   3.797  -6.081  -1.321
  133    HB3  CYS  19           HB3      CYS  19   3.860  -6.816  -2.920
  134    H    GLY  20           H        GLY  20   1.190  -3.951  -4.268
  135    HA2  GLY  20           HA2      GLY  20  -0.823  -5.824  -4.106
  136    HA3  GLY  20           HA3      GLY  20  -0.984  -4.821  -2.664
  137    H    THR  21           H        THR  21  -3.092  -4.638  -4.206
  138    HA   THR  21           HA       THR  21  -2.754  -2.183  -5.767
  139    HB   THR  21           HB       THR  21  -5.261  -3.784  -5.231
  140    HG1  THR  21           HG1      THR  21  -3.699  -4.926  -6.504
  141   HG21  THR  21          HG21      THR  21  -4.709  -1.589  -7.227
  142   HG22  THR  21          HG22      THR  21  -5.710  -1.449  -5.783
  143   HG23  THR  21          HG23      THR  21  -6.206  -2.513  -7.099
  144    H    CYS  22           H        CYS  22  -3.221  -0.214  -4.901
  145    HA   CYS  22           HA       CYS  22  -3.882  -0.051  -2.123
  146    HB2  CYS  22           HB2      CYS  22  -2.925   1.728  -4.241
  147    HB3  CYS  22           HB3      CYS  22  -3.981   2.510  -3.071
  148    H    SER  23           H        SER  23  -5.868  -0.045  -1.310
  149    HA   SER  23           HA       SER  23  -8.054   1.185  -2.796
  150    HB2  SER  23           HB2      SER  23  -7.773  -1.325  -3.402
  151    HB3  SER  23           HB3      SER  23  -8.393  -1.630  -1.782
  152    HG   SER  23           HG       SER  23  -9.688  -0.236  -3.889
  153    H    ARG  24           H        ARG  24  -9.304   2.279  -1.459
  154    HA   ARG  24           HA       ARG  24 -10.195   3.177   0.419
  155    HB2  ARG  24           HB2      ARG  24 -11.649   1.658   1.651
  156    HB3  ARG  24           HB3      ARG  24 -11.753   1.385  -0.080
  157    HG2  ARG  24           HG2      ARG  24 -10.272  -0.568   0.166
  158    HG3  ARG  24           HG3      ARG  24 -10.251  -0.305   1.911
  159    HD2  ARG  24           HD2      ARG  24 -11.861  -2.013   1.366
  160    HD3  ARG  24           HD3      ARG  24 -12.696  -0.577   1.951
  161    HE   ARG  24           HE       ARG  24 -12.537  -0.461  -0.850
  162   HH11  ARG  24          HH11      ARG  24 -14.134  -2.297   1.655
  163   HH12  ARG  24          HH12      ARG  24 -15.528  -2.650   0.689
  164   HH21  ARG  24          HH21      ARG  24 -14.353  -0.914  -2.129
  165   HH22  ARG  24          HH22      ARG  24 -15.655  -1.859  -1.480
  166    H    ARG  25           H        ARG  25  -7.550   3.170   0.884
  167    HA   ARG  25           HA       ARG  25  -6.067   3.493   2.545
  168    HB2  ARG  25           HB2      ARG  25  -8.579   3.269   4.096
  169    HB3  ARG  25           HB3      ARG  25  -7.070   3.102   4.983
  170    HG2  ARG  25           HG2      ARG  25  -6.323   5.259   4.116
  171    HG3  ARG  25           HG3      ARG  25  -7.852   5.432   3.247
  172    HD2  ARG  25           HD2      ARG  25  -9.067   5.383   5.360
  173    HD3  ARG  25           HD3      ARG  25  -7.552   5.158   6.234
  174    HE   ARG  25           HE       ARG  25  -7.807   7.541   4.575
  175   HH11  ARG  25          HH11      ARG  25  -7.899   6.120   7.771
  176   HH12  ARG  25          HH12      ARG  25  -7.641   7.631   8.587
  177   HH21  ARG  25          HH21      ARG  25  -7.480   9.531   5.642
  178   HH22  ARG  25          HH22      ARG  25  -7.393   9.570   7.374
  179    H    LYS  26           H        LYS  26  -6.680   0.755   1.432
  180    HA   LYS  26           HA       LYS  26  -4.786  -0.494   3.277
  181    HB2  LYS  26           HB2      LYS  26  -7.175  -1.925   2.129
  182    HB3  LYS  26           HB3      LYS  26  -5.826  -2.712   2.913
  183    HG2  LYS  26           HG2      LYS  26  -7.253  -2.649   4.662
  184    HG3  LYS  26           HG3      LYS  26  -6.484  -1.081   4.884
  185    HD2  LYS  26           HD2      LYS  26  -8.327  -0.002   3.702
  186    HD3  LYS  26           HD3      LYS  26  -9.098  -1.572   3.460
  187    HE2  LYS  26           HE2      LYS  26 -10.147  -0.486   5.323
  188    HE3  LYS  26           HE3      LYS  26  -9.195  -1.837   5.929
  189    HZ1  LYS  26           HZ1      LYS  26  -8.890   0.118   7.266
  190    HZ2  LYS  26           HZ2      LYS  26  -8.378   0.978   5.987
  191    HZ3  LYS  26           HZ3      LYS  26  -7.486  -0.264   6.533
  192    H    CYS  27           H        CYS  27  -3.165  -1.506   2.329
  193    HA   CYS  27           HA       CYS  27  -3.009  -1.727  -0.545
  194    HB2  CYS  27           HB2      CYS  27  -1.119  -2.846   1.538
  195    HB3  CYS  27           HB3      CYS  27  -0.777  -2.525  -0.147
  196    H    THR  28           H        THR  28  -3.533  -3.544  -1.651
  197    HA   THR  28           HA       THR  28  -4.538  -5.783  -0.042
  198    HB   THR  28           HB       THR  28  -5.855  -6.404  -2.084
  199    HG1  THR  28           HG1      THR  28  -5.139  -3.807  -3.015
  200   HG21  THR  28          HG21      THR  28  -6.324  -3.637  -0.970
  201   HG22  THR  28          HG22      THR  28  -6.910  -5.155  -0.287
  202   HG23  THR  28          HG23      THR  28  -7.514  -4.598  -1.847
  Start of MODEL    9
    1    H1   ARG   1           H1       ARG   1  11.240  -1.025  -1.179
    2    H2   ARG   1           H2       ARG   1  10.980  -2.570  -0.749
    3    H3   ARG   1           H3       ARG   1  12.130  -1.705   0.005
    4    HA   ARG   1           HA       ARG   1  10.216  -1.921   1.409
    5    HB2  ARG   1           HB2      ARG   1  11.612   0.151   1.471
    6    HB3  ARG   1           HB3      ARG   1  10.509   0.870   0.311
    7    HG2  ARG   1           HG2      ARG   1   8.680   0.670   1.916
    8    HG3  ARG   1           HG3      ARG   1   9.798  -0.028   3.089
    9    HD2  ARG   1           HD2      ARG   1  11.155   2.046   2.942
   10    HD3  ARG   1           HD3      ARG   1   9.914   2.739   1.899
   11    HE   ARG   1           HE       ARG   1   8.564   1.939   4.136
   12   HH11  ARG   1          HH11      ARG   1  11.259   4.075   3.488
   13   HH12  ARG   1          HH12      ARG   1  10.964   5.072   4.875
   14   HH21  ARG   1          HH21      ARG   1   8.173   3.249   5.956
   15   HH22  ARG   1          HH22      ARG   1   9.214   4.595   6.287
   16    H    CYS   2           H        CYS   2   8.189  -2.569   1.216
   17    HA   CYS   2           HA       CYS   2   6.321  -0.953  -0.302
   18    HB2  CYS   2           HB2      CYS   2   5.387  -2.791  -1.574
   19    HB3  CYS   2           HB3      CYS   2   7.103  -2.664  -1.933
   20    H    LEU   3           H        LEU   3   4.191  -1.239   0.315
   21    HA   LEU   3           HA       LEU   3   3.841  -2.245   2.997
   22    HB2  LEU   3           HB2      LEU   3   1.964  -0.871   1.078
   23    HB3  LEU   3           HB3      LEU   3   1.592  -1.246   2.747
   24    HG   LEU   3           HG       LEU   3   3.799   0.611   1.854
   25   HD11  LEU   3          HD11      LEU   3   1.078   1.245   2.977
   26   HD12  LEU   3          HD12      LEU   3   1.608   1.523   1.319
   27   HD13  LEU   3          HD13      LEU   3   2.358   2.412   2.646
   28   HD21  LEU   3          HD21      LEU   3   2.664   0.023   4.581
   29   HD22  LEU   3          HD22      LEU   3   3.832   1.291   4.214
   30   HD23  LEU   3          HD23      LEU   3   4.274  -0.403   3.998
   31    H    HIS   4           H        HIS   4   2.763  -4.087   3.549
   32    HA   HIS   4           HA       HIS   4   2.017  -5.846   1.344
   33    HB2  HIS   4           HB2      HIS   4   2.180  -7.672   2.844
   34    HB3  HIS   4           HB3      HIS   4   3.529  -6.620   3.239
   35    HD1  HIS   4           HD1      HIS   4   1.238  -8.656   4.892
   36    HD2  HIS   4           HD2      HIS   4   2.481  -4.746   5.485
   37    HE1  HIS   4           HE1      HIS   4   0.697  -8.133   7.290
   38    HE2  HIS   4           HE2      HIS   4   1.413  -5.734   7.615
   39    H    ALA   5           H        ALA   5   0.127  -7.464   2.243
   40    HA   ALA   5           HA       ALA   5  -2.223  -5.999   1.854
   41    HB1  ALA   5           HB1      ALA   5  -1.969  -8.779   2.990
   42    HB2  ALA   5           HB2      ALA   5  -1.965  -8.377   1.274
   43    HB3  ALA   5           HB3      ALA   5  -3.403  -8.070   2.247
   44    H    GLY   6           H        GLY   6  -3.139  -4.665   3.190
   45    HA2  GLY   6           HA2      GLY   6  -4.545  -4.452   5.157
   46    HA3  GLY   6           HA3      GLY   6  -3.373  -5.440   6.031
   47    H    ALA   7           H        ALA   7  -2.067  -3.076   3.907
   48    HA   ALA   7           HA       ALA   7  -1.321  -1.440   6.255
   49    HB1  ALA   7           HB1      ALA   7   0.531  -2.281   4.903
   50    HB2  ALA   7           HB2      ALA   7   0.442  -0.521   4.825
   51    HB3  ALA   7           HB3      ALA   7  -0.149  -1.497   3.478
   52    H    ALA   8           H        ALA   8  -1.643   0.854   6.223
   53    HA   ALA   8           HA       ALA   8  -3.985   1.574   4.704
   54    HB1  ALA   8           HB1      ALA   8  -2.391   3.272   6.610
   55    HB2  ALA   8           HB2      ALA   8  -3.765   2.252   7.044
   56    HB3  ALA   8           HB3      ALA   8  -3.997   3.630   5.962
   57    H    CYS   9           H        CYS   9  -3.985   2.461   2.787
   58    HA   CYS   9           HA       CYS   9  -1.992   4.474   2.099
   59    HB2  CYS   9           HB2      CYS   9  -1.255   3.439   0.097
   60    HB3  CYS   9           HB3      CYS   9  -1.151   2.193   1.334
   61    H    SER  10           H        SER  10  -2.590   4.982  -0.477
   62    HA   SER  10           HA       SER  10  -4.090   5.868  -1.940
   63    HB2  SER  10           HB2      SER  10  -6.273   4.449  -0.399
   64    HB3  SER  10           HB3      SER  10  -6.348   5.042  -2.057
   65    HG   SER  10           HG       SER  10  -4.517   3.068  -1.180
   66    H    GLY  11           H        GLY  11  -3.575   6.811   0.949
   67    HA2  GLY  11           HA2      GLY  11  -5.834   8.667   1.230
   68    HA3  GLY  11           HA3      GLY  11  -4.630   8.322   2.463
   69    HA   PRO  12           HA       PRO  12  -3.685  12.563   0.589
   70    HB2  PRO  12           HB2      PRO  12  -2.753  12.640   3.429
   71    HB3  PRO  12           HB3      PRO  12  -3.499  13.914   2.457
   72    HG2  PRO  12           HG2      PRO  12  -4.917  12.581   4.274
   73    HG3  PRO  12           HG3      PRO  12  -5.631  13.051   2.723
   74    HD2  PRO  12           HD2      PRO  12  -4.762  10.373   3.667
   75    HD3  PRO  12           HD3      PRO  12  -6.042  10.818   2.525
   76    H    ILE  13           H        ILE  13  -1.583  13.495   0.399
   77    HA   ILE  13           HA       ILE  13   0.147  12.248  -0.987
   78    HB   ILE  13           HB       ILE  13   0.617  14.498  -0.396
   79   HG12  ILE  13          HG12      ILE  13   2.952  12.712   0.325
   80   HG13  ILE  13          HG13      ILE  13   2.492  13.222  -1.294
   81   HG21  ILE  13          HG21      ILE  13   0.020  14.456   1.940
   82   HG22  ILE  13          HG22      ILE  13   1.636  15.134   1.743
   83   HG23  ILE  13          HG23      ILE  13   1.438  13.477   2.313
   84   HD11  ILE  13          HD11      ILE  13   2.998  15.535  -0.713
   85   HD12  ILE  13          HD12      ILE  13   4.394  14.484  -0.473
   86   HD13  ILE  13          HD13      ILE  13   3.449  15.026   0.914
   87    H    GLN  14           H        GLN  14   0.354  10.097  -0.798
   88    HA   GLN  14           HA       GLN  14   2.114   9.126   1.345
   89    HB2  GLN  14           HB2      GLN  14  -0.020   8.225   1.880
   90    HB3  GLN  14           HB3      GLN  14  -0.362   7.842   0.201
   91    HG2  GLN  14           HG2      GLN  14   2.011   6.473   1.087
   92    HG3  GLN  14           HG3      GLN  14   0.656   6.135   2.157
   93   HE21  GLN  14          HE21      GLN  14   2.041   4.379   0.251
   94   HE22  GLN  14          HE22      GLN  14   0.835   3.792  -0.851
   95    H    LYS  15           H        LYS  15   3.958   9.311  -0.012
   96    HA   LYS  15           HA       LYS  15   3.929   7.427  -2.245
   97    HB2  LYS  15           HB2      LYS  15   5.989   9.382  -1.243
   98    HB3  LYS  15           HB3      LYS  15   6.378   8.158  -2.442
   99    HG2  LYS  15           HG2      LYS  15   4.611   9.078  -3.899
  100    HG3  LYS  15           HG3      LYS  15   4.332  10.348  -2.707
  101    HD2  LYS  15           HD2      LYS  15   6.975   9.835  -4.068
  102    HD3  LYS  15           HD3      LYS  15   5.799  11.037  -4.601
  103    HE2  LYS  15           HE2      LYS  15   7.161  10.964  -1.910
  104    HE3  LYS  15           HE3      LYS  15   7.566  12.046  -3.241
  105    HZ1  LYS  15           HZ1      LYS  15   6.170  13.168  -1.711
  106    HZ2  LYS  15           HZ2      LYS  15   5.048  11.996  -1.747
  107    HZ3  LYS  15           HZ3      LYS  15   5.300  12.912  -3.065
  108    H    ILE  16           H        ILE  16   3.866   5.493  -1.495
  109    HA   ILE  16           HA       ILE  16   6.227   4.194  -0.615
  110    HB   ILE  16           HB       ILE  16   3.823   3.858   1.204
  111   HG12  ILE  16          HG12      ILE  16   6.441   5.249   1.775
  112   HG13  ILE  16          HG13      ILE  16   4.835   5.962   1.812
  113   HG21  ILE  16          HG21      ILE  16   5.199   1.852   0.777
  114   HG22  ILE  16          HG22      ILE  16   5.256   2.363   2.466
  115   HG23  ILE  16          HG23      ILE  16   6.611   2.714   1.392
  116   HD11  ILE  16          HD11      ILE  16   5.664   5.558   4.051
  117   HD12  ILE  16          HD12      ILE  16   5.864   3.846   3.679
  118   HD13  ILE  16          HD13      ILE  16   4.251   4.557   3.715
  119    HA   PRO  17           HA       PRO  17   3.355   2.124  -3.414
  120    HB2  PRO  17           HB2      PRO  17   5.171   0.473  -4.611
  121    HB3  PRO  17           HB3      PRO  17   4.937   2.158  -5.085
  122    HG2  PRO  17           HG2      PRO  17   7.067   0.941  -3.388
  123    HG3  PRO  17           HG3      PRO  17   7.187   2.252  -4.575
  124    HD2  PRO  17           HD2      PRO  17   7.097   2.643  -1.864
  125    HD3  PRO  17           HD3      PRO  17   6.555   3.842  -3.053
  126    H    CYS  18           H        CYS  18   2.083   0.530  -2.696
  127    HA   CYS  18           HA       CYS  18   3.112  -1.399  -0.825
  128    HB2  CYS  18           HB2      CYS  18   0.400  -1.577  -2.093
  129    HB3  CYS  18           HB3      CYS  18   0.921  -2.099  -0.501
  130    H    CYS  19           H        CYS  19   3.455  -3.582  -1.230
  131    HA   CYS  19           HA       CYS  19   3.440  -4.362  -4.024
  132    HB2  CYS  19           HB2      CYS  19   3.918  -6.653  -2.652
  133    HB3  CYS  19           HB3      CYS  19   5.148  -5.488  -3.085
  134    H    GLY  20           H        GLY  20   1.297  -3.957  -4.366
  135    HA2  GLY  20           HA2      GLY  20  -0.628  -5.890  -4.064
  136    HA3  GLY  20           HA3      GLY  20  -0.718  -4.870  -2.630
  137    H    THR  21           H        THR  21  -2.936  -4.742  -4.013
  138    HA   THR  21           HA       THR  21  -2.763  -2.352  -5.703
  139    HB   THR  21           HB       THR  21  -5.256  -3.877  -4.940
  140    HG1  THR  21           HG1      THR  21  -3.660  -5.227  -6.024
  141   HG21  THR  21          HG21      THR  21  -4.610  -2.064  -7.265
  142   HG22  THR  21          HG22      THR  21  -5.607  -1.645  -5.872
  143   HG23  THR  21          HG23      THR  21  -6.145  -2.889  -7.001
  144    H    CYS  22           H        CYS  22  -3.302  -0.337  -4.900
  145    HA   CYS  22           HA       CYS  22  -3.865  -0.111  -2.091
  146    HB2  CYS  22           HB2      CYS  22  -2.946   1.643  -4.246
  147    HB3  CYS  22           HB3      CYS  22  -4.040   2.432  -3.119
  148    H    SER  23           H        SER  23  -5.844  -0.179  -1.264
  149    HA   SER  23           HA       SER  23  -8.098   0.963  -2.727
  150    HB2  SER  23           HB2      SER  23  -7.845  -1.455  -3.410
  151    HB3  SER  23           HB3      SER  23  -8.123  -1.896  -1.730
  152    HG   SER  23           HG       SER  23  -9.906  -0.680  -3.553
  153    H    ARG  24           H        ARG  24  -9.087   2.240  -1.281
  154    HA   ARG  24           HA       ARG  24 -10.289   2.893   0.549
  155    HB2  ARG  24           HB2      ARG  24 -10.295  -0.021   1.324
  156    HB3  ARG  24           HB3      ARG  24 -11.417   1.215   1.861
  157    HG2  ARG  24           HG2      ARG  24 -12.297   1.404  -0.399
  158    HG3  ARG  24           HG3      ARG  24 -11.160   0.168  -0.945
  159    HD2  ARG  24           HD2      ARG  24 -12.154  -1.423   0.644
  160    HD3  ARG  24           HD3      ARG  24 -13.316  -0.187   1.130
  161    HE   ARG  24           HE       ARG  24 -13.324  -0.709  -1.692
  162   HH11  ARG  24          HH11      ARG  24 -14.603  -1.730   1.399
  163   HH12  ARG  24          HH12      ARG  24 -16.030  -2.436   0.717
  164   HH21  ARG  24          HH21      ARG  24 -15.190  -1.658  -2.596
  165   HH22  ARG  24          HH22      ARG  24 -16.356  -2.414  -1.558
  166    H    ARG  25           H        ARG  25  -7.571   3.288   0.975
  167    HA   ARG  25           HA       ARG  25  -6.015   3.585   2.596
  168    HB2  ARG  25           HB2      ARG  25  -8.489   3.208   4.222
  169    HB3  ARG  25           HB3      ARG  25  -6.932   3.203   5.041
  170    HG2  ARG  25           HG2      ARG  25  -6.439   5.398   4.264
  171    HG3  ARG  25           HG3      ARG  25  -7.872   5.409   3.232
  172    HD2  ARG  25           HD2      ARG  25  -8.285   6.689   5.237
  173    HD3  ARG  25           HD3      ARG  25  -9.289   5.243   5.232
  174    HE   ARG  25           HE       ARG  25  -7.654   4.272   6.804
  175   HH11  ARG  25          HH11      ARG  25  -7.806   7.750   6.443
  176   HH12  ARG  25          HH12      ARG  25  -7.166   8.066   8.022
  177   HH21  ARG  25          HH21      ARG  25  -6.814   4.686   8.888
  178   HH22  ARG  25          HH22      ARG  25  -6.606   6.327   9.417
  179    H    LYS  26           H        LYS  26  -6.492   0.942   1.393
  180    HA   LYS  26           HA       LYS  26  -4.905  -0.549   3.344
  181    HB2  LYS  26           HB2      LYS  26  -6.892  -2.105   1.768
  182    HB3  LYS  26           HB3      LYS  26  -6.198  -2.429   3.347
  183    HG2  LYS  26           HG2      LYS  26  -7.690  -0.940   4.417
  184    HG3  LYS  26           HG3      LYS  26  -8.218  -0.257   2.877
  185    HD2  LYS  26           HD2      LYS  26  -9.967  -1.693   3.426
  186    HD3  LYS  26           HD3      LYS  26  -8.976  -2.668   2.339
  187    HE2  LYS  26           HE2      LYS  26  -7.860  -3.655   4.331
  188    HE3  LYS  26           HE3      LYS  26  -9.007  -2.787   5.349
  189    HZ1  LYS  26           HZ1      LYS  26  -9.773  -4.988   4.994
  190    HZ2  LYS  26           HZ2      LYS  26  -9.652  -4.859   3.380
  191    HZ3  LYS  26           HZ3      LYS  26 -10.769  -3.990   4.178
  192    H    CYS  27           H        CYS  27  -3.173  -1.437   2.415
  193    HA   CYS  27           HA       CYS  27  -2.974  -1.685  -0.461
  194    HB2  CYS  27           HB2      CYS  27  -1.071  -2.662   1.681
  195    HB3  CYS  27           HB3      CYS  27  -0.727  -2.459  -0.022
  196    H    THR  28           H        THR  28  -3.603  -3.475  -1.502
  197    HA   THR  28           HA       THR  28  -4.305  -5.810   0.150
  198    HB   THR  28           HB       THR  28  -6.038  -6.344  -1.450
  199    HG1  THR  28           HG1      THR  28  -4.667  -5.279  -3.223
  200   HG21  THR  28          HG21      THR  28  -6.643  -4.708   0.264
  201   HG22  THR  28          HG22      THR  28  -7.495  -4.374  -1.245
  202   HG23  THR  28          HG23      THR  28  -6.103  -3.396  -0.785
  Start of MODEL   10
    1    H1   ARG   1           H1       ARG   1  11.193  -2.114  -1.220
    2    H2   ARG   1           H2       ARG   1  12.289  -1.335  -0.311
    3    H3   ARG   1           H3       ARG   1  11.288  -0.492  -1.273
    4    HA   ARG   1           HA       ARG   1  10.458  -2.092   1.022
    5    HB2  ARG   1           HB2      ARG   1  11.633  -0.108   1.765
    6    HB3  ARG   1           HB3      ARG   1  10.705   0.902   0.668
    7    HG2  ARG   1           HG2      ARG   1   8.665   0.350   1.932
    8    HG3  ARG   1           HG3      ARG   1   9.645  -0.593   3.056
    9    HD2  ARG   1           HD2      ARG   1  10.875   1.389   3.697
   10    HD3  ARG   1           HD3      ARG   1  10.006   2.350   2.500
   11    HE   ARG   1           HE       ARG   1   8.159   1.130   4.235
   12   HH11  ARG   1          HH11      ARG   1  10.598   3.642   4.264
   13   HH12  ARG   1          HH12      ARG   1   9.799   4.571   5.496
   14   HH21  ARG   1          HH21      ARG   1   7.107   2.351   5.840
   15   HH22  ARG   1          HH22      ARG   1   7.807   3.848   6.374
   16    H    CYS   2           H        CYS   2   8.333  -2.541   1.093
   17    HA   CYS   2           HA       CYS   2   6.447  -0.837  -0.296
   18    HB2  CYS   2           HB2      CYS   2   5.500  -2.490  -1.708
   19    HB3  CYS   2           HB3      CYS   2   7.234  -2.587  -1.967
   20    H    LEU   3           H        LEU   3   4.266  -1.269   0.281
   21    HA   LEU   3           HA       LEU   3   4.017  -2.209   3.004
   22    HB2  LEU   3           HB2      LEU   3   2.074  -0.910   1.096
   23    HB3  LEU   3           HB3      LEU   3   1.698  -1.316   2.759
   24    HG   LEU   3           HG       LEU   3   3.879   0.606   1.941
   25   HD11  LEU   3          HD11      LEU   3   1.700   1.471   1.283
   26   HD12  LEU   3          HD12      LEU   3   2.353   2.376   2.648
   27   HD13  LEU   3          HD13      LEU   3   1.085   1.180   2.910
   28   HD21  LEU   3          HD21      LEU   3   4.237  -0.415   4.115
   29   HD22  LEU   3          HD22      LEU   3   2.599   0.020   4.605
   30   HD23  LEU   3          HD23      LEU   3   3.792   1.282   4.292
   31    H    HIS   4           H        HIS   4   2.857  -3.979   3.655
   32    HA   HIS   4           HA       HIS   4   2.263  -5.925   1.578
   33    HB2  HIS   4           HB2      HIS   4   2.332  -7.580   3.238
   34    HB3  HIS   4           HB3      HIS   4   3.542  -6.427   3.768
   35    HD1  HIS   4           HD1      HIS   4   1.127  -8.487   5.170
   36    HD2  HIS   4           HD2      HIS   4   2.008  -4.461   5.659
   37    HE1  HIS   4           HE1      HIS   4   0.161  -7.853   7.401
   38    HE2  HIS   4           HE2      HIS   4   0.620  -5.388   7.635
   39    H    ALA   5           H        ALA   5   0.249  -7.400   2.275
   40    HA   ALA   5           HA       ALA   5  -2.054  -5.906   1.744
   41    HB1  ALA   5           HB1      ALA   5  -3.286  -7.959   2.152
   42    HB2  ALA   5           HB2      ALA   5  -1.875  -8.672   2.934
   43    HB3  ALA   5           HB3      ALA   5  -1.832  -8.293   1.213
   44    H    GLY   6           H        GLY   6  -3.221  -4.692   2.974
   45    HA2  GLY   6           HA2      GLY   6  -4.645  -4.365   4.864
   46    HA3  GLY   6           HA3      GLY   6  -3.550  -5.367   5.819
   47    H    ALA   7           H        ALA   7  -2.087  -3.032   3.754
   48    HA   ALA   7           HA       ALA   7  -1.377  -1.460   6.157
   49    HB1  ALA   7           HB1      ALA   7   0.489  -0.608   4.820
   50    HB2  ALA   7           HB2      ALA   7  -0.080  -1.546   3.440
   51    HB3  ALA   7           HB3      ALA   7   0.491  -2.371   4.890
   52    H    ALA   8           H        ALA   8  -1.997   0.665   6.369
   53    HA   ALA   8           HA       ALA   8  -4.112   1.592   4.759
   54    HB1  ALA   8           HB1      ALA   8  -2.416   3.204   6.656
   55    HB2  ALA   8           HB2      ALA   8  -3.839   2.262   7.098
   56    HB3  ALA   8           HB3      ALA   8  -4.001   3.653   6.021
   57    H    CYS   9           H        CYS   9  -4.103   2.509   2.848
   58    HA   CYS   9           HA       CYS   9  -2.049   4.450   2.155
   59    HB2  CYS   9           HB2      CYS   9  -1.298   3.389   0.169
   60    HB3  CYS   9           HB3      CYS   9  -1.226   2.157   1.423
   61    H    SER  10           H        SER  10  -2.600   4.917  -0.458
   62    HA   SER  10           HA       SER  10  -4.075   5.756  -1.979
   63    HB2  SER  10           HB2      SER  10  -6.308   4.479  -0.391
   64    HB3  SER  10           HB3      SER  10  -6.338   4.970  -2.086
   65    HG   SER  10           HG       SER  10  -4.397   3.136  -1.267
   66    H    GLY  11           H        GLY  11  -3.606   6.807   0.917
   67    HA2  GLY  11           HA2      GLY  11  -5.825   8.717   1.060
   68    HA3  GLY  11           HA3      GLY  11  -4.633   8.426   2.319
   69    HA   PRO  12           HA       PRO  12  -3.566  12.459   0.132
   70    HB2  PRO  12           HB2      PRO  12  -2.945  12.953   3.006
   71    HB3  PRO  12           HB3      PRO  12  -3.650  14.053   1.816
   72    HG2  PRO  12           HG2      PRO  12  -5.192  12.965   3.633
   73    HG3  PRO  12           HG3      PRO  12  -5.741  12.986   1.944
   74    HD2  PRO  12           HD2      PRO  12  -4.511  10.732   3.501
   75    HD3  PRO  12           HD3      PRO  12  -5.914  10.719   2.426
   76    H    ILE  13           H        ILE  13  -1.384  13.552   0.293
   77    HA   ILE  13           HA       ILE  13   0.436  12.296  -0.936
   78    HB   ILE  13           HB       ILE  13   0.937  14.490  -0.173
   79   HG12  ILE  13          HG12      ILE  13   3.067  12.481   0.576
   80   HG13  ILE  13          HG13      ILE  13   2.846  13.277  -0.976
   81   HG21  ILE  13          HG21      ILE  13   1.409  13.278   2.541
   82   HG22  ILE  13          HG22      ILE  13   0.103  14.370   2.083
   83   HG23  ILE  13          HG23      ILE  13   1.770  14.946   2.097
   84   HD11  ILE  13          HD11      ILE  13   3.654  14.621   1.591
   85   HD12  ILE  13          HD12      ILE  13   3.440  15.412   0.029
   86   HD13  ILE  13          HD13      ILE  13   4.717  14.216   0.243
   87    H    GLN  14           H        GLN  14   0.417  10.105  -0.778
   88    HA   GLN  14           HA       GLN  14   1.980   8.985   1.447
   89    HB2  GLN  14           HB2      GLN  14  -0.266   8.193   1.739
   90    HB3  GLN  14           HB3      GLN  14  -0.411   7.801   0.032
   91    HG2  GLN  14           HG2      GLN  14   1.817   6.403   1.183
   92    HG3  GLN  14           HG3      GLN  14   0.360   6.106   2.116
   93   HE21  GLN  14          HE21      GLN  14   1.903   4.306   0.394
   94   HE22  GLN  14          HE22      GLN  14   0.810   3.714  -0.816
   95    H    LYS  15           H        LYS  15   3.886   9.247   0.165
   96    HA   LYS  15           HA       LYS  15   3.950   7.468  -2.145
   97    HB2  LYS  15           HB2      LYS  15   6.341   8.313  -2.341
   98    HB3  LYS  15           HB3      LYS  15   5.072   9.498  -2.603
   99    HG2  LYS  15           HG2      LYS  15   5.377  10.264  -0.261
  100    HG3  LYS  15           HG3      LYS  15   6.750   9.167  -0.129
  101    HD2  LYS  15           HD2      LYS  15   6.509  11.372  -2.173
  102    HD3  LYS  15           HD3      LYS  15   7.387  11.512  -0.651
  103    HE2  LYS  15           HE2      LYS  15   7.978   9.521  -2.842
  104    HE3  LYS  15           HE3      LYS  15   8.875  11.008  -2.542
  105    HZ1  LYS  15           HZ1      LYS  15   9.373  10.105  -0.332
  106    HZ2  LYS  15           HZ2      LYS  15  10.008   9.217  -1.534
  107    HZ3  LYS  15           HZ3      LYS  15   8.681   8.692  -0.757
  108    H    ILE  16           H        ILE  16   3.897   5.515  -1.436
  109    HA   ILE  16           HA       ILE  16   6.263   4.204  -0.616
  110    HB   ILE  16           HB       ILE  16   3.901   3.876   1.269
  111   HG12  ILE  16          HG12      ILE  16   6.568   5.201   1.750
  112   HG13  ILE  16          HG13      ILE  16   4.971   5.910   1.931
  113   HG21  ILE  16          HG21      ILE  16   6.645   2.618   1.291
  114   HG22  ILE  16          HG22      ILE  16   5.150   1.830   0.791
  115   HG23  ILE  16          HG23      ILE  16   5.363   2.331   2.469
  116   HD11  ILE  16          HD11      ILE  16   4.527   4.415   3.811
  117   HD12  ILE  16          HD12      ILE  16   5.944   5.427   4.086
  118   HD13  ILE  16          HD13      ILE  16   6.143   3.734   3.637
  119    HA   PRO  17           HA       PRO  17   3.341   2.127  -3.388
  120    HB2  PRO  17           HB2      PRO  17   5.154   0.518  -4.641
  121    HB3  PRO  17           HB3      PRO  17   4.896   2.210  -5.084
  122    HG2  PRO  17           HG2      PRO  17   7.057   0.990  -3.421
  123    HG3  PRO  17           HG3      PRO  17   7.161   2.299  -4.611
  124    HD2  PRO  17           HD2      PRO  17   7.109   2.712  -1.912
  125    HD3  PRO  17           HD3      PRO  17   6.512   3.893  -3.092
  126    H    CYS  18           H        CYS  18   2.106   0.477  -2.708
  127    HA   CYS  18           HA       CYS  18   3.167  -1.437  -0.831
  128    HB2  CYS  18           HB2      CYS  18   0.458  -1.640  -2.094
  129    HB3  CYS  18           HB3      CYS  18   0.980  -2.160  -0.501
  130    H    CYS  19           H        CYS  19   3.411  -3.671  -1.186
  131    HA   CYS  19           HA       CYS  19   3.327  -4.518  -3.973
  132    HB2  CYS  19           HB2      CYS  19   3.925  -6.010  -1.398
  133    HB3  CYS  19           HB3      CYS  19   3.930  -6.768  -2.984
  134    H    GLY  20           H        GLY  20   1.167  -3.951  -4.247
  135    HA2  GLY  20           HA2      GLY  20  -0.793  -5.875  -4.018
  136    HA3  GLY  20           HA3      GLY  20  -0.939  -4.863  -2.582
  137    H    THR  21           H        THR  21  -3.077  -4.758  -4.078
  138    HA   THR  21           HA       THR  21  -2.861  -2.349  -5.729
  139    HB   THR  21           HB       THR  21  -5.395  -3.815  -5.013
  140    HG1  THR  21           HG1      THR  21  -3.640  -4.359  -7.205
  141   HG21  THR  21          HG21      THR  21  -4.600  -2.154  -7.403
  142   HG22  THR  21          HG22      THR  21  -5.633  -1.626  -6.075
  143   HG23  THR  21          HG23      THR  21  -6.171  -2.915  -7.153
  144    H    CYS  22           H        CYS  22  -3.224  -0.355  -4.833
  145    HA   CYS  22           HA       CYS  22  -3.897  -0.154  -2.067
  146    HB2  CYS  22           HB2      CYS  22  -2.944   1.614  -4.191
  147    HB3  CYS  22           HB3      CYS  22  -4.049   2.397  -3.074
  148    H    SER  23           H        SER  23  -5.876  -0.140  -1.231
  149    HA   SER  23           HA       SER  23  -8.069   1.143  -2.662
  150    HB2  SER  23           HB2      SER  23  -7.892  -1.380  -3.284
  151    HB3  SER  23           HB3      SER  23  -8.444  -1.668  -1.639
  152    HG   SER  23           HG       SER  23  -9.797  -0.258  -3.694
  153    H    ARG  24           H        ARG  24  -9.252   2.283  -1.187
  154    HA   ARG  24           HA       ARG  24 -10.370   2.846   0.731
  155    HB2  ARG  24           HB2      ARG  24 -10.202  -0.123   1.250
  156    HB3  ARG  24           HB3      ARG  24 -11.257   0.997   2.091
  157    HG2  ARG  24           HG2      ARG  24 -12.479   1.424   0.046
  158    HG3  ARG  24           HG3      ARG  24 -11.381   0.365  -0.847
  159    HD2  ARG  24           HD2      ARG  24 -12.071  -1.538   0.442
  160    HD3  ARG  24           HD3      ARG  24 -13.034  -0.520   1.509
  161    HE   ARG  24           HE       ARG  24 -13.990  -0.139  -1.073
  162   HH11  ARG  24          HH11      ARG  24 -13.718  -2.760   1.226
  163   HH12  ARG  24          HH12      ARG  24 -15.173  -3.544   0.701
  164   HH21  ARG  24          HH21      ARG  24 -15.904  -1.176  -1.778
  165   HH22  ARG  24          HH22      ARG  24 -16.416  -2.641  -1.008
  166    H    ARG  25           H        ARG  25  -7.578   3.223   1.008
  167    HA   ARG  25           HA       ARG  25  -5.935   3.476   2.528
  168    HB2  ARG  25           HB2      ARG  25  -8.368   3.436   4.233
  169    HB3  ARG  25           HB3      ARG  25  -6.801   3.338   5.027
  170    HG2  ARG  25           HG2      ARG  25  -6.105   5.394   3.930
  171    HG3  ARG  25           HG3      ARG  25  -7.672   5.498   3.123
  172    HD2  ARG  25           HD2      ARG  25  -7.216   5.541   6.102
  173    HD3  ARG  25           HD3      ARG  25  -7.544   6.948   5.094
  174    HE   ARG  25           HE       ARG  25  -9.553   4.897   4.914
  175   HH11  ARG  25          HH11      ARG  25  -8.463   7.728   6.651
  176   HH12  ARG  25          HH12      ARG  25 -10.033   8.098   7.293
  177   HH21  ARG  25          HH21      ARG  25 -11.624   5.378   5.745
  178   HH22  ARG  25          HH22      ARG  25 -11.835   6.757   6.779
  179    H    LYS  26           H        LYS  26  -6.450   0.821   1.520
  180    HA   LYS  26           HA       LYS  26  -4.614  -0.423   3.357
  181    HB2  LYS  26           HB2      LYS  26  -5.886  -2.577   3.319
  182    HB3  LYS  26           HB3      LYS  26  -6.599  -1.293   4.270
  183    HG2  LYS  26           HG2      LYS  26  -8.140  -0.808   2.399
  184    HG3  LYS  26           HG3      LYS  26  -7.469  -2.187   1.535
  185    HD2  LYS  26           HD2      LYS  26  -8.820  -2.344   4.226
  186    HD3  LYS  26           HD3      LYS  26  -9.615  -2.674   2.683
  187    HE2  LYS  26           HE2      LYS  26  -7.926  -4.447   2.265
  188    HE3  LYS  26           HE3      LYS  26  -7.277  -4.160   3.878
  189    HZ1  LYS  26           HZ1      LYS  26 -10.003  -5.058   3.273
  190    HZ2  LYS  26           HZ2      LYS  26  -9.421  -4.780   4.766
  191    HZ3  LYS  26           HZ3      LYS  26  -8.808  -5.989   3.869
  192    H    CYS  27           H        CYS  27  -3.057  -1.334   2.325
  193    HA   CYS  27           HA       CYS  27  -3.050  -1.662  -0.516
  194    HB2  CYS  27           HB2      CYS  27  -1.075  -2.783   1.485
  195    HB3  CYS  27           HB3      CYS  27  -0.802  -2.460  -0.213
  196    H    THR  28           H        THR  28  -3.548  -3.488  -1.623
  197    HA   THR  28           HA       THR  28  -4.357  -5.798   0.010
  198    HB   THR  28           HB       THR  28  -6.156  -6.247  -1.611
  199    HG1  THR  28           HG1      THR  28  -5.349  -3.783  -2.807
  200   HG21  THR  28          HG21      THR  28  -7.595  -4.287  -1.111
  201   HG22  THR  28          HG22      THR  28  -6.174  -3.439  -0.505
  202   HG23  THR  28          HG23      THR  28  -6.741  -4.900   0.307