*HEADER    TRANSCRIPTION                           24-OCT-12   2M0F              
*TITLE     SOLUTION STRUCTURE OF MIZ-1 ZINC FINGERS 5 TO 7                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER AND BTB DOMAIN-CONTAINING PROTEIN 17;          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C2H2-TYPE 7 ZINC FINGER RESIDUES 472-500;                  
*COMPND   5 SYNONYM: MYC-INTERACTING ZINC FINGER PROTEIN 1, MIZ-1, ZINC FINGER   
*COMPND   6 PROTEIN 151, ZINC FINGER PROTEIN 60;                                 
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: MIZ1, ZBTB17, ZNF151, ZNF60;                                   
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 STAR (DE3);                           
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET-3A                                     
*KEYWDS    C2H2 ZINC FINGERS, TRANSCRIPTION                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    D.BERNARD, M.BEDARD, J.BILODEAU, P.LAVIGNE                            
*REVDAT   1   14-NOV-12 2M0F    0                                                


assign ( resid 78 and name HD2
  )
       ( resid 79 and name HD1#
  or resid 79 and name HD2#
  ) 6.0 4.2 0.0 volume=0.030 peak=2 ppm1=6.734 ppm2=0.868

assign ( resid 79 and name HD1#
  or resid 79 and name HD2#
  )
       ( resid 79 and name HN
  ) 5.8 4.0 0.2 volume=0.088 peak=8 ppm1=0.825 ppm2=8.080

assign ( resid 79 and name HD1#
  or resid 79 and name HD2#
  )
       ( resid 67 and name HE2
  ) 5.5 3.7 0.5 volume=0.112 peak=14 ppm1=0.832 ppm2=2.760

assign ( resid 75 and name HD1#
  )
       ( resid 79 and name HD1#
  or resid 79 and name HD2#
  ) 4.8 3.0 1.0 volume=0.748 peak=16 ppm1=0.692 ppm2=0.835

assign ( resid 79 and name HA
  )
       ( resid 79 and name HD1#
  or resid 79 and name HD2#
  ) 5.9 4.1 0.1 volume=0.079 peak=9 ppm1=3.649 ppm2=0.837

assign ( resid 79 and name HD1#
  or resid 79 and name HD2#
  )
       ( resid 79 and name HG
  ) 4.1 2.3 0.8 volume=0.682 peak=12 ppm1=0.824 ppm2=1.068

assign ( resid 79 and name HB2
  )
       ( resid 79 and name HD1#
  or resid 79 and name HD2#
  ) 4.8 3.0 1.0 volume=0.254 peak=5 ppm1=1.402 ppm2=0.820

assign ( resid 82 and name HD2
  )
       ( resid 79 and name HD1#
  or resid 79 and name HD2#
  ) 5.7 3.9 0.3 volume=0.092 peak=1 ppm1=6.517 ppm2=0.852

assign ( resid 79 and name HD1#
  or resid 79 and name HD2#
  )
       ( resid 75 and name HB2
  ) 4.7 2.9 0.9 volume=0.289 peak=17 ppm1=0.826 ppm2=1.883

assign ( resid 79 and name HB1
  )
       ( resid 79 and name HD1#
  or resid 79 and name HD2#
  ) 4.8 3.0 1.0 volume=0.279 peak=10 ppm1=1.745 ppm2=0.832

assign ( resid 60 and name HG
  )
       ( resid 60 and name HD1#
  or resid 60 and name HD2#
  ) 4.8 3.0 1.0 volume=0.250 peak=15 ppm1=1.408 ppm2=0.598

assign ( resid 79 and name HG
  )
       ( resid 79 and name HD1#
  or resid 79 and name HD2#
  ) 4.1 2.3 0.8 volume=0.664 peak=4 ppm1=1.078 ppm2=0.839

assign ( resid 79 and name HN
  )
       ( resid 79 and name HD1#
  or resid 79 and name HD2#
  ) 4.1 2.3 0.8 volume=0.682 peak=3 ppm1=8.083 ppm2=0.839

assign ( resid 76 and name HA
  )
       ( resid 79 and name HD1#
  or resid 79 and name HD2#
  ) 4.6 2.8 0.9 volume=0.322 peak=6 ppm1=3.653 ppm2=0.839

assign ( resid 79 and name HD1#
  or resid 79 and name HD2#
  )
       ( resid 79 and name HB1
  ) 4.5 2.7 0.9 volume=0.408 peak=7 ppm1=0.825 ppm2=1.735

assign ( resid 79 and name HD1#
  or resid 79 and name HD2#
  )
       ( resid 79 and name HB2
  ) 4.2 2.4 0.8 volume=0.551 peak=11 ppm1=0.821 ppm2=1.382

assign ( resid 79 and name HD1#
  or resid 79 and name HD2#
  )
       ( resid 79 and name HA
  ) 5.0 3.2 1.0 volume=0.216 peak=13 ppm1=0.826 ppm2=3.646

ASSIGN  (segid "   A" and resid 60    and name N   ) (segid "   A" and resid 60    and name CA   )
         (segid "   A" and resid 60    and name CB  ) (segid "   A" and resid 60    and name CG   )  1.00 -60.00 40.00 2

ASSIGN  (segid "   A" and resid 64    and name N   ) (segid "   A" and resid 64    and name CA   )
         (segid "   A" and resid 64    and name CB  ) (segid "   A" and resid 64    and name CG   )  1.00 -60.00 40.00 2

ASSIGN  (segid "   A" and resid 67    and name N   ) (segid "   A" and resid 67    and name CA   )
         (segid "   A" and resid 67    and name CB  ) (segid "   A" and resid 67    and name CG   )  1.00  60.00 40.00 2

ASSIGN  (segid "   A" and resid 82    and name N   ) (segid "   A" and resid 82    and name CA   )
         (segid "   A" and resid 82    and name CB  ) (segid "   A" and resid 82    and name CG   )  1.00 -60.00 40.00 2


 ASSIGN  (segid "   A" and resid 58   and name C   ) (segid "   A" and resid 59   and name N   )
         (segid "   A" and resid 59   and name CA  ) (segid "   A" and resid 59   and name C   )  1.00 -62.66 27.34 2

 ASSIGN  (segid "   A" and resid 59   and name N   ) (segid "   A" and resid 59   and name CA  )
         (segid "   A" and resid 59   and name C   ) (segid "   A" and resid 60   and name N   )  1.00 149.25 29.25 2

 ASSIGN  (segid "   A" and resid 60   and name C   ) (segid "   A" and resid 61   and name N   )
         (segid "   A" and resid 61   and name CA  ) (segid "   A" and resid 61   and name C   )  1.00 -116.42 33.58 2

 ASSIGN  (segid "   A" and resid 61   and name N   ) (segid "   A" and resid 61   and name CA  )
         (segid "   A" and resid 61   and name C   ) (segid "   A" and resid 62   and name N   )  1.00 125.49 25.49 2

 ASSIGN  (segid "   A" and resid 61   and name C   ) (segid "   A" and resid 62   and name N   )
         (segid "   A" and resid 62   and name CA  ) (segid "   A" and resid 62   and name C   )  1.00 -66.92 83.08 2

 ASSIGN  (segid "   A" and resid 62   and name N   ) (segid "   A" and resid 62   and name CA  )
         (segid "   A" and resid 62   and name C   ) (segid "   A" and resid 63   and name N   )  1.00 133.01 53.01 2

 ASSIGN  (segid "   A" and resid 62   and name C   ) (segid "   A" and resid 63   and name N   )
         (segid "   A" and resid 63   and name CA  ) (segid "   A" and resid 63   and name C   )  1.00 -55.43 34.57 2

 ASSIGN  (segid "   A" and resid 63   and name N   ) (segid "   A" and resid 63   and name CA  )
         (segid "   A" and resid 63   and name C   ) (segid "   A" and resid 64   and name N   )  1.00 -24.68 25.32 2

 ASSIGN  (segid "   A" and resid 63   and name C   ) (segid "   A" and resid 64   and name N   )
         (segid "   A" and resid 64   and name CA  ) (segid "   A" and resid 64   and name C   )  1.00 -80.37 49.63 2

 ASSIGN  (segid "   A" and resid 64   and name N   ) (segid "   A" and resid 64   and name CA  )
         (segid "   A" and resid 64   and name C   ) (segid "   A" and resid 65   and name N   )  1.00 -12.73 47.27 2

 ASSIGN  (segid "   A" and resid 64   and name C   ) (segid "   A" and resid 65   and name N   )
         (segid "   A" and resid 65   and name CA  ) (segid "   A" and resid 65   and name C   )  1.00 -92.36 37.64 2

 ASSIGN  (segid "   A" and resid 65   and name N   ) (segid "   A" and resid 65   and name CA  )
         (segid "   A" and resid 65   and name C   ) (segid "   A" and resid 66   and name N   )  1.00  -3.18 36.82 2

 ASSIGN  (segid "   A" and resid 65   and name C   ) (segid "   A" and resid 66   and name N   )
         (segid "   A" and resid 66   and name CA  ) (segid "   A" and resid 66   and name C   )  1.00  84.45 24.45 2

 ASSIGN  (segid "   A" and resid 66   and name N   ) (segid "   A" and resid 66   and name CA  )
         (segid "   A" and resid 66   and name C   ) (segid "   A" and resid 67   and name N   )  1.00  -3.00 27.00 2

 ASSIGN  (segid "   A" and resid 66   and name C   ) (segid "   A" and resid 67   and name N   )
         (segid "   A" and resid 67   and name CA  ) (segid "   A" and resid 67   and name C   )  1.00 -74.09 35.91 2

 ASSIGN  (segid "   A" and resid 67   and name N   ) (segid "   A" and resid 67   and name CA  )
         (segid "   A" and resid 67   and name C   ) (segid "   A" and resid 68   and name N   )  1.00 154.68 24.68 2

 ASSIGN  (segid "   A" and resid 67   and name C   ) (segid "   A" and resid 68   and name N   )
         (segid "   A" and resid 68   and name CA  ) (segid "   A" and resid 68   and name C   )  1.00 -105.56 54.44 2

 ASSIGN  (segid "   A" and resid 68   and name N   ) (segid "   A" and resid 68   and name CA  )
         (segid "   A" and resid 68   and name C   ) (segid "   A" and resid 69   and name N   )  1.00 131.61 31.61 2

 ASSIGN  (segid "   A" and resid 68   and name C   ) (segid "   A" and resid 69   and name N   )
         (segid "   A" and resid 69   and name CA  ) (segid "   A" and resid 69   and name C   )  1.00 -134.22 35.78 2

 ASSIGN  (segid "   A" and resid 69   and name N   ) (segid "   A" and resid 69   and name CA  )
         (segid "   A" and resid 69   and name C   ) (segid "   A" and resid 70   and name N   )  1.00 153.29 43.29 2

 ASSIGN  (segid "   A" and resid 70   and name C   ) (segid "   A" and resid 71   and name N   )
         (segid "   A" and resid 71   and name CA  ) (segid "   A" and resid 71   and name C   )  1.00 -135.19 44.81 2

 ASSIGN  (segid "   A" and resid 71   and name N   ) (segid "   A" and resid 71   and name CA  )
         (segid "   A" and resid 71   and name C   ) (segid "   A" and resid 72   and name N   )  1.00 161.11 31.11 2

 ASSIGN  (segid "   A" and resid 71   and name C   ) (segid "   A" and resid 72   and name N   )
         (segid "   A" and resid 72   and name CA  ) (segid "   A" and resid 72   and name C   )  1.00 -64.57 25.43 2

 ASSIGN  (segid "   A" and resid 72   and name N   ) (segid "   A" and resid 72   and name CA  )
         (segid "   A" and resid 72   and name C   ) (segid "   A" and resid 73   and name N   )  1.00 -29.41 40.59 2

 ASSIGN  (segid "   A" and resid 72   and name C   ) (segid "   A" and resid 73   and name N   )
         (segid "   A" and resid 73   and name CA  ) (segid "   A" and resid 73   and name C   )  1.00 -64.80 25.20 2

 ASSIGN  (segid "   A" and resid 73   and name N   ) (segid "   A" and resid 73   and name CA  )
         (segid "   A" and resid 73   and name C   ) (segid "   A" and resid 74   and name N   )  1.00 -41.89 28.11 2

 ASSIGN  (segid "   A" and resid 73   and name C   ) (segid "   A" and resid 74   and name N   )
         (segid "   A" and resid 74   and name CA  ) (segid "   A" and resid 74   and name C   )  1.00 -64.79 25.21 2

 ASSIGN  (segid "   A" and resid 74   and name N   ) (segid "   A" and resid 74   and name CA  )
         (segid "   A" and resid 74   and name C   ) (segid "   A" and resid 75   and name N   )  1.00 -43.22 16.78 2

 ASSIGN  (segid "   A" and resid 74   and name C   ) (segid "   A" and resid 75   and name N   )
         (segid "   A" and resid 75   and name CA  ) (segid "   A" and resid 75   and name C   )  1.00 -64.67 25.33 2

 ASSIGN  (segid "   A" and resid 75   and name N   ) (segid "   A" and resid 75   and name CA  )
         (segid "   A" and resid 75   and name C   ) (segid "   A" and resid 76   and name N   )  1.00 -44.46 25.54 2

 ASSIGN  (segid "   A" and resid 75   and name C   ) (segid "   A" and resid 76   and name N   )
         (segid "   A" and resid 76   and name CA  ) (segid "   A" and resid 76   and name C   )  1.00 -63.54 26.46 2

 ASSIGN  (segid "   A" and resid 76   and name N   ) (segid "   A" and resid 76   and name CA  )
         (segid "   A" and resid 76   and name C   ) (segid "   A" and resid 77   and name N   )  1.00 -43.39 26.61 2

 ASSIGN  (segid "   A" and resid 76   and name C   ) (segid "   A" and resid 77   and name N   )
         (segid "   A" and resid 77   and name CA  ) (segid "   A" and resid 77   and name C   )  1.00 -64.83 15.17 2

 ASSIGN  (segid "   A" and resid 77   and name N   ) (segid "   A" and resid 77   and name CA  )
         (segid "   A" and resid 77   and name C   ) (segid "   A" and resid 78   and name N   )  1.00 -44.95 25.05 2

 ASSIGN  (segid "   A" and resid 77   and name C   ) (segid "   A" and resid 78   and name N   )
         (segid "   A" and resid 78   and name CA  ) (segid "   A" and resid 78   and name C   )  1.00 -64.52 25.48 2

 ASSIGN  (segid "   A" and resid 78   and name N   ) (segid "   A" and resid 78   and name CA  )
         (segid "   A" and resid 78   and name C   ) (segid "   A" and resid 79   and name N   )  1.00 -44.13 25.87 2

 ASSIGN  (segid "   A" and resid 78   and name C   ) (segid "   A" and resid 79   and name N   )
         (segid "   A" and resid 79   and name CA  ) (segid "   A" and resid 79   and name C   )  1.00 -64.07 25.93 2

 ASSIGN  (segid "   A" and resid 79   and name N   ) (segid "   A" and resid 79   and name CA  )
         (segid "   A" and resid 79   and name C   ) (segid "   A" and resid 80   and name N   )  1.00 -44.85 25.15 2

 ASSIGN  (segid "   A" and resid 79   and name C   ) (segid "   A" and resid 80   and name N   )
         (segid "   A" and resid 80   and name CA  ) (segid "   A" and resid 80   and name C   )  1.00 -62.42 27.58 2

 ASSIGN  (segid "   A" and resid 80   and name N   ) (segid "   A" and resid 80   and name CA  )
         (segid "   A" and resid 80   and name C   ) (segid "   A" and resid 81   and name N   )  1.00 -37.79 32.21 2

 ASSIGN  (segid "   A" and resid 80   and name C   ) (segid "   A" and resid 81   and name N   )
         (segid "   A" and resid 81   and name CA  ) (segid "   A" and resid 81   and name C   )  1.00 -60.92 29.08 2

 ASSIGN  (segid "   A" and resid 81   and name N   ) (segid "   A" and resid 81   and name CA  )
         (segid "   A" and resid 81   and name C   ) (segid "   A" and resid 82   and name N   )  1.00 -36.41 33.59 2

 ASSIGN  (segid "   A" and resid 81   and name C   ) (segid "   A" and resid 82   and name N   )
         (segid "   A" and resid 82   and name CA  ) (segid "   A" and resid 82   and name C   )  1.00 -70.73 29.27 2

 ASSIGN  (segid "   A" and resid 82   and name N   ) (segid "   A" and resid 82   and name CA  )
         (segid "   A" and resid 82   and name C   ) (segid "   A" and resid 83   and name N   )  1.00 -25.12 24.88 2

 ASSIGN  (segid "   A" and resid 82   and name C   ) (segid "   A" and resid 83   and name N   )
         (segid "   A" and resid 83   and name CA  ) (segid "   A" and resid 83   and name C   )  1.00 -87.39 42.61 2

 ASSIGN  (segid "   A" and resid 83   and name N   ) (segid "   A" and resid 83   and name CA  )
         (segid "   A" and resid 83   and name C   ) (segid "   A" and resid 84   and name N   )  1.00  -3.35 56.65 2

 ASSIGN  (segid "   A" and resid 84   and name C   ) (segid "   A" and resid 85   and name N   )
         (segid "   A" and resid 85   and name CA  ) (segid "   A" and resid 85   and name C   )  1.00 -77.10 72.90 2

 ASSIGN  (segid "   A" and resid 85   and name N   ) (segid "   A" and resid 85   and name CA  )
         (segid "   A" and resid 85   and name C   ) (segid "   A" and resid 86   and name N   )  1.00 138.49 48.49 2

 ASSIGN  (segid "   A" and resid 85   and name C   ) (segid "   A" and resid 86   and name N   )
         (segid "   A" and resid 86   and name CA  ) (segid "   A" and resid 86   and name C   )  1.00 -74.72 35.28 2

assign ( resid 60 and name HD1#
  )
       ( resid 60 and name HG
  ) 4.6 2.8 0.9 volume=0.352 peak=480 ppm1=0.567 ppm2=1.430

assign ( resid 78 and name HN
  )
       ( resid 79 and name HN
  ) 3.2 1.4 0.6 volume=0.960 peak=401 ppm1=7.309 ppm2=8.081

assign ( resid 76 and name HD1
  or resid 76 and name HD2
  )
       ( resid 76 and name HB2
  or resid 76 and name HB1
  ) 3.5 1.7 0.7 volume=0.583 peak=889 ppm1=1.486 ppm2=1.714

assign ( resid 69 and name HB2
  )
       ( resid 75 and name HB1
  ) 5.0 3.2 1.0 volume=0.070 peak=840 ppm1=2.570 ppm2=1.029

assign ( resid 62 and name HB1
  )
       ( resid 62 and name HB2
  ) 4.0 2.2 0.8 volume=0.277 peak=851 ppm1=2.717 ppm2=3.192

assign ( resid 68 and name HG1
  or resid 68 and name HG2
  )
       ( resid 68 and name HB1
  ) 3.6 1.8 0.7 volume=0.488 peak=814 ppm1=2.031 ppm2=1.616

assign ( resid 75 and name HB1
  )
       ( resid 75 and name HD2#
  ) 4.7 2.9 0.9 volume=0.309 peak=742 ppm1=1.028 ppm2=0.788

assign ( resid 78 and name HB2
  )
       ( resid 78 and name HN
  ) 4.2 2.4 0.8 volume=0.196 peak=707 ppm1=2.923 ppm2=7.335

assign ( resid 64 and name HN
  )
       ( resid 62 and name HA
  ) 4.1 2.3 0.8 volume=0.218 peak=326 ppm1=8.673 ppm2=4.331

assign ( resid 68 and name HE21
  )
       ( resid 68 and name HB2
  ) 4.5 2.7 0.9 volume=0.134 peak=424 ppm1=6.722 ppm2=1.734

assign ( resid 74 and name HA
  )
       ( resid 77 and name HB2
  or resid 77 and name HB1
  ) 5.4 3.6 0.6 volume=0.045 peak=652 ppm1=4.383 ppm2=1.722

assign ( resid 75 and name HG
  )
       ( resid 75 and name HD1#
  ) 4.3 2.5 0.9 volume=0.521 peak=608 ppm1=1.330 ppm2=0.713

assign ( resid 75 and name HD2#
  )
       ( resid 75 and name HB2
  ) 4.6 2.8 0.9 volume=0.347 peak=614 ppm1=0.782 ppm2=1.831

assign ( resid 76 and name HE1
  or resid 76 and name HE2
  )
       ( resid 76 and name HB2
  or resid 76 and name HB1
  ) 4.0 2.2 0.8 volume=0.256 peak=562 ppm1=2.774 ppm2=1.701

assign ( resid 76 and name HD1
  or resid 76 and name HD2
  )
       ( resid 76 and name HE1
  or resid 76 and name HE2
  ) 3.2 1.4 0.6 volume=0.991 peak=589 ppm1=1.484 ppm2=2.784

assign ( resid 80 and name HD2
  or resid 80 and name HD1
  )
       ( resid 80 and name HG1
  or resid 80 and name HG2
  ) 2.9 1.1 0.6 volume=1.698 peak=856 ppm1=3.059 ppm2=1.554

assign ( resid 67 and name HB1
  )
       ( resid 67 and name HN
  ) 4.9 3.1 1.0 volume=0.078 peak=818 ppm1=1.104 ppm2=7.693

assign ( resid 68 and name HG1
  or resid 68 and name HG2
  )
       ( resid 68 and name HB2
  ) 3.4 1.6 0.7 volume=0.680 peak=712 ppm1=2.028 ppm2=1.731

assign ( resid 63 and name HB2
  or resid 63 and name HB1
  )
       ( resid 63 and name HG2
  or resid 63 and name HG1
  ) 3.0 1.2 0.6 volume=1.554 peak=714 ppm1=1.780 ppm2=1.593

assign ( resid 68 and name HE22
  )
       ( resid 60 and name HN
  ) 4.5 2.7 0.9 volume=0.133 peak=308 ppm1=7.448 ppm2=8.303

assign ( resid 77 and name HG1
  or resid 77 and name HG2
  )
       ( resid 77 and name HB2
  or resid 77 and name HB1
  ) 2.9 1.1 0.6 volume=1.654 peak=540 ppm1=1.445 ppm2=1.661

assign ( resid 74 and name HN
  )
       ( resid 76 and name HN
  ) 4.7 2.9 0.9 volume=0.098 peak=468 ppm1=7.745 ppm2=8.247

assign ( resid 63 and name HA
  )
       ( resid 63 and name HG2
  or resid 63 and name HG1
  ) 3.3 1.5 0.7 volume=0.801 peak=912 ppm1=3.986 ppm2=1.600

assign ( resid 67 and name HA
  )
       ( resid 67 and name HD1
  or resid 67 and name HD2
  ) 3.4 1.6 0.7 volume=0.650 peak=877 ppm1=3.833 ppm2=1.339

assign ( resid 63 and name HB2
  or resid 63 and name HB1
  )
       ( resid 64 and name HN
  ) 5.3 3.5 0.7 volume=0.049 peak=627 ppm1=1.780 ppm2=8.656

assign ( resid 82 and name HN
  )
       ( resid 82 and name HA
  ) 3.4 1.6 0.7 volume=0.698 peak=206 ppm1=6.979 ppm2=4.633

assign ( resid 68 and name HN
  )
       ( resid 67 and name HG2
  or resid 67 and name HG1
  ) 3.8 2.0 0.8 volume=0.355 peak=434 ppm1=7.910 ppm2=0.916

assign ( resid 67 and name HB1
  )
       ( resid 67 and name HA
  ) 4.8 3.0 1.0 volume=0.088 peak=874 ppm1=1.108 ppm2=3.819

assign ( resid 62 and name HB2
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 6.0 4.2 0.0 volume=0.028 peak=860 ppm1=3.178 ppm2=7.013

assign ( resid 75 and name HA
  )
       ( resid 75 and name HN
  ) 4.5 2.7 0.9 volume=0.125 peak=881 ppm1=2.938 ppm2=7.325

assign ( resid 75 and name HD1#
  )
       ( resid 69 and name HN
  ) 6.0 4.2 0.0 volume=0.059 peak=750 ppm1=0.689 ppm2=8.271

assign ( resid 69 and name HN
  )
       ( resid 69 and name HB2
  ) 3.8 2.0 0.8 volume=0.347 peak=277 ppm1=8.303 ppm2=2.510

assign ( resid 75 and name HN
  )
       ( resid 69 and name HB2
  ) 4.3 2.5 0.9 volume=0.161 peak=235 ppm1=7.340 ppm2=2.505

assign ( resid 68 and name HN
  )
       ( resid 69 and name HN
  ) 4.6 2.8 0.9 volume=0.116 peak=394 ppm1=7.912 ppm2=8.319

assign ( resid 61 and name HB2
  or resid 61 and name HB1
  )
       ( resid 61 and name HN
  ) 5.8 4.0 0.2 volume=0.029 peak=738 ppm1=1.436 ppm2=7.574

assign ( resid 82 and name HE1
  )
       ( resid 65 and name HB1
  ) 4.4 2.6 0.9 volume=0.147 peak=168 ppm1=7.893 ppm2=3.287

assign ( resid 78 and name HD2
  )
       ( resid 79 and name HG
  ) 3.8 2.0 0.8 volume=0.334 peak=190 ppm1=6.730 ppm2=1.073

assign ( resid 82 and name HB1
  )
       ( resid 82 and name HD2
  ) 5.3 3.5 0.7 volume=0.047 peak=489 ppm1=2.965 ppm2=6.520

assign ( resid 76 and name HN
  )
       ( resid 75 and name HB1
  ) 3.7 1.9 0.7 volume=0.446 peak=456 ppm1=8.256 ppm2=1.038

assign ( resid 81 and name HA
  )
       ( resid 81 and name HB
  ) 3.4 1.6 0.7 volume=0.711 peak=803 ppm1=3.805 ppm2=1.561

assign ( resid 78 and name HA
  )
       ( resid 78 and name HB2
  ) 4.4 2.6 0.9 volume=0.154 peak=666 ppm1=4.029 ppm2=2.935

assign ( resid 82 and name HB2
  )
       ( resid 82 and name HB1
  ) 4.1 2.3 0.8 volume=0.239 peak=565 ppm1=3.196 ppm2=2.949

assign ( resid 81 and name HN
  )
       ( resid 79 and name HN
  ) 4.5 2.7 0.9 volume=0.125 peak=458 ppm1=7.776 ppm2=8.090

assign ( resid 76 and name HD1
  or resid 76 and name HD2
  )
       ( resid 76 and name HA
  ) 4.6 2.8 0.9 volume=0.113 peak=620 ppm1=1.480 ppm2=3.641

assign ( resid 63 and name HB2
  or resid 63 and name HB1
  )
       ( resid 63 and name HA
  ) 4.0 2.2 0.8 volume=0.274 peak=575 ppm1=1.778 ppm2=3.991

assign ( resid 64 and name HA
  )
       ( resid 64 and name HB1
  ) 4.9 3.1 1.0 volume=0.073 peak=829 ppm1=4.075 ppm2=1.009

assign ( resid 68 and name HB1
  )
       ( resid 68 and name HN
  ) 4.2 2.4 0.8 volume=0.188 peak=721 ppm1=1.599 ppm2=7.899

assign ( resid 85 and name HA
  )
       ( resid 85 and name HG2
  ) 4.1 2.3 0.8 volume=0.223 peak=763 ppm1=4.074 ppm2=2.102

assign ( resid 69 and name HN
  )
       ( resid 61 and name HN
  ) 4.6 2.8 0.9 volume=0.110 peak=197 ppm1=8.307 ppm2=7.576

assign ( resid 69 and name HB1
  )
       ( resid 69 and name HN
  ) 5.5 3.7 0.5 volume=0.038 peak=550 ppm1=3.120 ppm2=8.289

assign ( resid 62 and name HB1
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 5.8 4.0 0.2 volume=0.055 peak=553 ppm1=2.735 ppm2=7.021

assign ( resid 78 and name HD2
  )
       ( resid 78 and name HE1
  ) 5.5 3.7 0.5 volume=0.038 peak=15 ppm1=6.731 ppm2=7.899

assign ( resid 75 and name HG
  )
       ( resid 69 and name HB1
  ) 4.6 2.8 0.9 volume=0.106 peak=634 ppm1=1.337 ppm2=3.109

assign ( resid 85 and name HN
  )
       ( resid 84 and name HA1
  or resid 84 and name HA2
  ) 2.9 1.1 0.6 volume=1.941 peak=226 ppm1=7.877 ppm2=3.822

assign ( resid 67 and name HB1
  )
       ( resid 67 and name HB2
  ) 3.4 1.6 0.7 volume=0.703 peak=670 ppm1=1.104 ppm2=1.321

assign ( resid 84 and name HA1
  or resid 84 and name HA2
  )
       ( resid 84 and name HN
  ) 4.8 3.0 1.0 volume=0.093 peak=616 ppm1=3.808 ppm2=8.059

assign ( resid 62 and name HN
  )
       ( resid 65 and name HB1
  ) 5.2 3.4 0.8 volume=0.056 peak=447 ppm1=9.003 ppm2=3.338

assign ( resid 80 and name HN
  )
       ( resid 80 and name HD2
  or resid 80 and name HD1
  ) 4.0 2.2 0.8 volume=0.254 peak=463 ppm1=6.947 ppm2=3.044

assign ( resid 76 and name HB2
  or resid 76 and name HB1
  )
       ( resid 73 and name HA2
  or resid 73 and name HA1
  ) 4.3 2.5 0.9 volume=0.167 peak=797 ppm1=1.743 ppm2=3.814

assign ( resid 78 and name HA
  )
       ( resid 81 and name HN
  ) 6.0 4.2 0.0 volume=0.004 peak=726 ppm1=4.029 ppm2=7.766

assign ( resid 65 and name HN
  )
       ( resid 62 and name HB2
  ) 3.8 2.0 0.8 volume=0.386 peak=444 ppm1=8.113 ppm2=3.179

assign ( resid 76 and name HA
  )
       ( resid 77 and name HN
  ) 5.4 3.6 0.6 volume=0.045 peak=484 ppm1=3.654 ppm2=7.459

assign ( resid 68 and name HG1
  or resid 68 and name HG2
  )
       ( resid 68 and name HN
  ) 4.5 2.7 0.9 volume=0.137 peak=886 ppm1=2.034 ppm2=7.921

assign ( resid 65 and name HN
  )
       ( resid 64 and name HA
  ) 3.4 1.6 0.7 volume=0.695 peak=406 ppm1=8.117 ppm2=4.066

assign ( resid 81 and name HN
  )
       ( resid 81 and name HD1#
  ) 4.4 2.6 0.9 volume=0.435 peak=368 ppm1=7.759 ppm2=0.587

assign ( resid 74 and name HB1
  or resid 74 and name HB2
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 4.5 2.7 0.9 volume=0.250 peak=841 ppm1=2.817 ppm2=7.039

assign ( resid 75 and name HA
  )
       ( resid 75 and name HB2
  ) 4.6 2.8 0.9 volume=0.115 peak=495 ppm1=2.939 ppm2=1.832

assign ( resid 75 and name HB1
  )
       ( resid 75 and name HD1#
  ) 4.9 3.1 1.0 volume=0.241 peak=641 ppm1=1.034 ppm2=0.703

assign ( resid 60 and name HB1
  )
       ( resid 60 and name HD1#
  ) 5.0 3.2 1.0 volume=0.197 peak=581 ppm1=1.600 ppm2=0.591

assign ( resid 76 and name HE1
  or resid 76 and name HE2
  )
       ( resid 76 and name HA
  ) 4.9 3.1 1.0 volume=0.078 peak=731 ppm1=2.774 ppm2=3.638

assign ( resid 80 and name HD2
  or resid 80 and name HD1
  )
       ( resid 80 and name HA
  ) 4.4 2.6 0.9 volume=0.143 peak=660 ppm1=3.058 ppm2=3.962

assign ( resid 75 and name HN
  )
       ( resid 75 and name HB1
  ) 3.3 1.5 0.7 volume=0.822 peak=212 ppm1=7.341 ppm2=1.043

assign ( resid 63 and name HN
  )
       ( resid 63 and name HA
  ) 3.9 2.1 0.8 volume=0.308 peak=251 ppm1=9.218 ppm2=3.968

assign ( resid 79 and name HN
  )
       ( resid 77 and name HA
  ) 3.9 2.1 0.8 volume=0.328 peak=451 ppm1=8.095 ppm2=3.783

assign ( resid 65 and name HN
  )
       ( resid 67 and name HD1
  or resid 67 and name HD2
  ) 4.2 2.4 0.8 volume=0.200 peak=373 ppm1=8.115 ppm2=1.342

assign ( resid 60 and name HD1#
  )
       ( resid 61 and name HN
  ) 6.0 4.2 0.0 volume=0.014 peak=613 ppm1=0.563 ppm2=7.579

assign ( resid 58 and name HN
  )
       ( resid 58 and name HA1
  ) 3.4 1.6 0.7 volume=0.645 peak=437 ppm1=7.897 ppm2=3.933

assign ( resid 75 and name HN
  )
       ( resid 72 and name HA
  ) 4.1 2.3 0.8 volume=0.213 peak=473 ppm1=7.342 ppm2=3.908

assign ( resid 76 and name HD1
  or resid 76 and name HD2
  )
       ( resid 77 and name HN
  ) 5.9 4.1 0.1 volume=0.026 peak=700 ppm1=1.497 ppm2=7.424

assign ( resid 62 and name HB1
  )
       ( resid 65 and name HN
  ) 5.4 3.6 0.6 volume=0.041 peak=770 ppm1=2.713 ppm2=8.107

assign ( resid 60 and name HN
  )
       ( resid 60 and name HB2
  ) 3.4 1.6 0.7 volume=0.639 peak=217 ppm1=8.312 ppm2=1.416

assign ( resid 64 and name HA
  )
       ( resid 64 and name HN
  ) 4.8 3.0 1.0 volume=0.092 peak=529 ppm1=4.075 ppm2=8.670

assign ( resid 75 and name HN
  )
       ( resid 76 and name HN
  ) 3.4 1.6 0.7 volume=0.659 peak=390 ppm1=7.342 ppm2=8.247

assign ( resid 65 and name HA
  )
       ( resid 66 and name HN
  ) 4.6 2.8 0.9 volume=0.110 peak=878 ppm1=5.029 ppm2=7.977

assign ( resid 86 and name HB2
  or resid 86 and name HB1
  )
       ( resid 86 and name HD2
  or resid 86 and name HD1
  ) 3.7 1.9 0.7 volume=0.442 peak=772 ppm1=1.448 ppm2=1.227

assign ( resid 81 and name HN
  )
       ( resid 81 and name HG12
  or resid 81 and name HG11
  ) 3.7 1.9 0.7 volume=0.392 peak=219 ppm1=7.763 ppm2=0.804

assign ( resid 81 and name HB
  )
       ( resid 81 and name HA
  ) 3.7 1.9 0.7 volume=0.408 peak=701 ppm1=1.531 ppm2=3.789

assign ( resid 82 and name HN
  )
       ( resid 81 and name HG2#
  ) 5.1 3.3 0.9 volume=0.188 peak=297 ppm1=6.950 ppm2=0.436

assign ( resid 77 and name HN
  )
       ( resid 75 and name HA
  ) 4.0 2.2 0.8 volume=0.263 peak=351 ppm1=7.455 ppm2=2.935

assign ( resid 60 and name HN
  )
       ( resid 60 and name HA
  ) 3.1 1.3 0.6 volume=1.132 peak=338 ppm1=8.311 ppm2=4.301

assign ( resid 60 and name HN
  )
       ( resid 69 and name HB2
  ) 3.8 2.0 0.8 volume=0.347 peak=379 ppm1=8.303 ppm2=2.517

assign ( resid 79 and name HA
  )
       ( resid 79 and name HB2
  ) 4.9 3.1 1.0 volume=0.082 peak=779 ppm1=3.638 ppm2=1.406

assign ( resid 77 and name HD2
  or resid 77 and name HD1
  )
       ( resid 77 and name HB2
  or resid 77 and name HB1
  ) 2.9 1.1 0.6 volume=1.892 peak=639 ppm1=3.045 ppm2=1.659

assign ( resid 64 and name HA
  )
       ( resid 64 and name HG1
  or resid 64 and name HG2
  ) 3.7 1.9 0.7 volume=0.427 peak=792 ppm1=4.072 ppm2=1.659

assign ( resid 78 and name HD2
  )
       ( resid 78 and name HB2
  ) 4.3 2.5 0.9 volume=0.180 peak=137 ppm1=6.732 ppm2=2.919

assign ( resid 74 and name HN
  )
       ( resid 75 and name HN
  ) 3.8 2.0 0.8 volume=0.377 peak=280 ppm1=7.739 ppm2=7.336

assign ( resid 68 and name HN
  )
       ( resid 67 and name HA
  ) 2.8 1.0 0.6 volume=2.447 peak=360 ppm1=7.910 ppm2=3.818

assign ( resid 79 and name HG
  )
       ( resid 75 and name HB2
  ) 3.7 1.9 0.7 volume=0.392 peak=887 ppm1=1.075 ppm2=1.865

assign ( resid 69 and name HB1
  )
       ( resid 69 and name HB2
  ) 3.9 2.1 0.8 volume=0.291 peak=808 ppm1=3.111 ppm2=2.566

assign ( resid 77 and name HN
  )
       ( resid 74 and name HA
  ) 3.8 2.0 0.8 volume=0.379 peak=302 ppm1=7.452 ppm2=4.364

assign ( resid 60 and name HD1#
  )
       ( resid 60 and name HB1
  ) 5.1 3.3 0.9 volume=0.179 peak=564 ppm1=0.573 ppm2=1.584

assign ( resid 75 and name HD1#
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 5.9 4.1 0.1 volume=0.154 peak=535 ppm1=0.693 ppm2=7.034

assign ( resid 69 and name HN
  )
       ( resid 69 and name HB1
  ) 3.9 2.1 0.8 volume=0.307 peak=470 ppm1=8.302 ppm2=3.136

assign ( resid 69 and name HZ
  )
       ( resid 78 and name HB2
  ) 4.2 2.4 0.8 volume=0.190 peak=181 ppm1=5.878 ppm2=2.938

assign ( resid 67 and name HA
  )
       ( resid 67 and name HB1
  ) 4.1 2.3 0.8 volume=0.236 peak=834 ppm1=3.833 ppm2=1.086

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 74 and name HB1
  or resid 74 and name HB2
  ) 4.0 2.2 0.8 volume=0.511 peak=144 ppm1=7.044 ppm2=2.812

assign ( resid 70 and name HG2#
  )
       ( resid 69 and name HN
  ) 6.0 4.2 0.0 volume=0.030 peak=699 ppm1=1.114 ppm2=8.311

assign ( resid 68 and name HE22
  )
       ( resid 61 and name HD1
  or resid 61 and name HD2
  ) 4.3 2.5 0.9 volume=0.160 peak=202 ppm1=7.442 ppm2=1.415

assign ( resid 77 and name HN
  )
       ( resid 73 and name HA2
  or resid 73 and name HA1
  ) 2.9 1.1 0.6 volume=1.636 peak=246 ppm1=7.447 ppm2=3.797

assign ( resid 61 and name HD1
  or resid 61 and name HD2
  )
       ( resid 61 and name HG2
  or resid 61 and name HG1
  ) 3.6 1.8 0.7 volume=0.500 peak=715 ppm1=1.431 ppm2=0.995

assign ( resid 76 and name HA
  )
       ( resid 76 and name HB2
  or resid 76 and name HB1
  ) 3.6 1.8 0.7 volume=0.459 peak=781 ppm1=3.652 ppm2=1.716

assign ( resid 63 and name HG2
  or resid 63 and name HG1
  )
       ( resid 63 and name HD1
  or resid 63 and name HD2
  ) 3.4 1.6 0.7 volume=0.669 peak=674 ppm1=1.572 ppm2=3.055

assign ( resid 79 and name HN
  )
       ( resid 78 and name HB1
  ) 3.8 2.0 0.8 volume=0.339 peak=268 ppm1=8.075 ppm2=2.632

assign ( resid 80 and name HN
  )
       ( resid 78 and name HN
  ) 4.3 2.5 0.9 volume=0.167 peak=229 ppm1=6.970 ppm2=7.276

assign ( resid 69 and name HB2
  )
       ( resid 75 and name HB2
  ) 5.4 3.6 0.6 volume=0.044 peak=801 ppm1=2.525 ppm2=1.834

assign ( resid 64 and name HG1
  or resid 64 and name HG2
  )
       ( resid 64 and name HB2
  ) 4.1 2.3 0.8 volume=0.233 peak=766 ppm1=1.676 ppm2=1.165

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 62 and name HB2
  ) 4.8 3.0 1.0 volume=0.178 peak=157 ppm1=7.051 ppm2=3.231

assign ( resid 68 and name HE21
  )
       ( resid 61 and name HD1
  or resid 61 and name HD2
  ) 4.0 2.2 0.8 volume=0.246 peak=285 ppm1=6.724 ppm2=1.449

assign ( resid 80 and name HN
  )
       ( resid 79 and name HA
  ) 3.8 2.0 0.8 volume=0.378 peak=411 ppm1=6.951 ppm2=3.628

assign ( resid 79 and name HB1
  )
       ( resid 79 and name HG
  ) 4.3 2.5 0.9 volume=0.164 peak=890 ppm1=1.752 ppm2=1.082

assign ( resid 69 and name HB1
  )
       ( resid 75 and name HN
  ) 4.8 3.0 1.0 volume=0.089 peak=822 ppm1=3.108 ppm2=7.335

assign ( resid 75 and name HA
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 5.7 3.9 0.3 volume=0.063 peak=496 ppm1=2.938 ppm2=7.031

assign ( resid 61 and name HA
  )
       ( resid 61 and name HG2
  or resid 61 and name HG1
  ) 6.0 4.2 0.0 volume=0.015 peak=786 ppm1=4.895 ppm2=0.971

assign ( resid 77 and name HA
  )
       ( resid 80 and name HD2
  or resid 80 and name HD1
  ) 4.1 2.3 0.8 volume=0.230 peak=645 ppm1=3.800 ppm2=3.038

assign ( resid 65 and name HA
  )
       ( resid 65 and name HB1
  ) 3.7 1.9 0.7 volume=0.412 peak=598 ppm1=5.028 ppm2=3.317

assign ( resid 76 and name HN
  )
       ( resid 75 and name HA
  ) 4.1 2.3 0.8 volume=0.224 peak=273 ppm1=8.247 ppm2=2.941

assign ( resid 82 and name HD2
  )
       ( resid 81 and name HG2#
  ) 6.0 4.2 0.0 volume=0.041 peak=88 ppm1=6.520 ppm2=0.427

assign ( resid 76 and name HB2
  or resid 76 and name HB1
  )
       ( resid 76 and name HE1
  or resid 76 and name HE2
  ) 4.4 2.6 0.9 volume=0.146 peak=610 ppm1=1.719 ppm2=2.792

assign ( resid 85 and name HB1
  )
       ( resid 85 and name HA
  ) 4.6 2.8 0.9 volume=0.115 peak=806 ppm1=1.854 ppm2=4.080

assign ( resid 66 and name HN
  )
       ( resid 62 and name HB2
  ) 3.7 1.9 0.7 volume=0.430 peak=313 ppm1=7.978 ppm2=3.193

assign ( resid 69 and name HZ
  )
       ( resid 67 and name HE1
  ) 4.2 2.4 0.8 volume=0.196 peak=179 ppm1=5.875 ppm2=2.832

assign ( resid 82 and name HN
  )
       ( resid 80 and name HA
  ) 3.8 2.0 0.8 volume=0.341 peak=335 ppm1=6.981 ppm2=3.937

assign ( resid 79 and name HG
  )
       ( resid 79 and name HN
  ) 4.7 2.9 0.9 volume=0.106 peak=646 ppm1=1.079 ppm2=8.093

assign ( resid 76 and name HN
  )
       ( resid 60 and name HD1#
  ) 4.9 3.1 1.0 volume=0.233 peak=295 ppm1=8.252 ppm2=0.605

assign ( resid 85 and name HN
  )
       ( resid 83 and name HA
  ) 4.0 2.2 0.8 volume=0.254 peak=244 ppm1=7.875 ppm2=4.227

assign ( resid 82 and name HD2
  )
       ( resid 82 and name HB2
  ) 4.6 2.8 0.9 volume=0.109 peak=34 ppm1=6.533 ppm2=3.190

assign ( resid 69 and name HZ
  )
       ( resid 78 and name HB1
  ) 4.4 2.6 0.9 volume=0.150 peak=131 ppm1=5.879 ppm2=2.640

assign ( resid 60 and name HN
  )
       ( resid 68 and name HE22
  ) 4.0 2.2 0.8 volume=0.279 peak=258 ppm1=8.311 ppm2=7.469

assign ( resid 70 and name HG2#
  )
       ( resid 74 and name HB1
  or resid 74 and name HB2
  ) 6.0 4.2 0.0 volume=0.039 peak=867 ppm1=1.116 ppm2=2.836

assign ( resid 80 and name HA
  )
       ( resid 80 and name HN
  ) 4.2 2.4 0.8 volume=0.187 peak=618 ppm1=3.930 ppm2=6.953

assign ( resid 64 and name HN
  )
       ( resid 63 and name HB2
  or resid 63 and name HB1
  ) 3.5 1.7 0.7 volume=0.618 peak=319 ppm1=8.673 ppm2=1.748

assign ( resid 76 and name HB2
  or resid 76 and name HB1
  )
       ( resid 76 and name HG2
  or resid 76 and name HG1
  ) 3.5 1.7 0.7 volume=0.596 peak=584 ppm1=1.712 ppm2=1.252

assign ( resid 83 and name HN
  )
       ( resid 82 and name HN
  ) 3.9 2.1 0.8 volume=0.310 peak=400 ppm1=7.575 ppm2=6.963

assign ( resid 82 and name HB1
  )
       ( resid 79 and name HG
  ) 5.7 3.9 0.3 volume=0.031 peak=850 ppm1=2.937 ppm2=1.060

assign ( resid 75 and name HD2#
  )
       ( resid 76 and name HN
  ) 5.9 4.1 0.1 volume=0.079 peak=590 ppm1=0.786 ppm2=8.263

assign ( resid 75 and name HB1
  )
       ( resid 75 and name HN
  ) 5.0 3.2 1.0 volume=0.066 peak=813 ppm1=1.031 ppm2=7.354

assign ( resid 79 and name HB2
  )
       ( resid 79 and name HB1
  ) 3.7 1.9 0.7 volume=0.419 peak=741 ppm1=1.404 ppm2=1.745

assign ( resid 62 and name HB2
  )
       ( resid 62 and name HB1
  ) 4.0 2.2 0.8 volume=0.257 peak=706 ppm1=3.191 ppm2=2.717

assign ( resid 60 and name HA
  )
       ( resid 60 and name HN
  ) 5.8 4.0 0.2 volume=0.028 peak=787 ppm1=4.303 ppm2=8.293

assign ( resid 60 and name HD1#
  )
       ( resid 60 and name HB2
  ) 4.5 2.7 0.9 volume=0.365 peak=637 ppm1=0.566 ppm2=1.411

assign ( resid 80 and name HN
  )
       ( resid 80 and name HB2
  or resid 80 and name HB1
  ) 2.8 1.0 0.6 volume=2.124 peak=263 ppm1=6.950 ppm2=1.670

assign ( resid 68 and name HB2
  )
       ( resid 68 and name HG1
  or resid 68 and name HG2
  ) 3.4 1.6 0.7 volume=0.663 peak=633 ppm1=1.743 ppm2=2.064

assign ( resid 77 and name HN
  )
       ( resid 79 and name HN
  ) 4.5 2.7 0.9 volume=0.129 peak=370 ppm1=7.443 ppm2=8.072

assign ( resid 64 and name HA
  )
       ( resid 65 and name HN
  ) 4.6 2.8 0.9 volume=0.111 peak=686 ppm1=4.075 ppm2=8.110

assign ( resid 69 and name HB1
  )
       ( resid 74 and name HB1
  or resid 74 and name HB2
  ) 5.0 3.2 1.0 volume=0.070 peak=623 ppm1=3.120 ppm2=2.795

assign ( resid 76 and name HN
  )
       ( resid 75 and name HD1#
  ) 4.7 2.9 0.9 volume=0.285 peak=324 ppm1=8.252 ppm2=0.721

assign ( resid 86 and name HB2
  or resid 86 and name HB1
  )
       ( resid 86 and name HG1
  or resid 86 and name HG2
  ) 4.1 2.3 0.8 volume=0.230 peak=903 ppm1=1.459 ppm2=1.075

assign ( resid 62 and name HB2
  )
       ( resid 75 and name HD1#
  ) 5.8 4.0 0.2 volume=0.084 peak=879 ppm1=3.192 ppm2=0.711

assign ( resid 78 and name HB2
  )
       ( resid 78 and name HA
  ) 4.9 3.1 1.0 volume=0.074 peak=855 ppm1=2.926 ppm2=4.038

assign ( resid 80 and name HG1
  or resid 80 and name HG2
  )
       ( resid 80 and name HA
  ) 4.3 2.5 0.9 volume=0.166 peak=746 ppm1=1.536 ppm2=3.945

assign ( resid 62 and name HN
  )
       ( resid 61 and name HA
  ) 3.4 1.6 0.7 volume=0.759 peak=307 ppm1=9.007 ppm2=4.888

assign ( resid 76 and name HB2
  or resid 76 and name HB1
  )
       ( resid 76 and name HN
  ) 3.8 2.0 0.8 volume=0.332 peak=883 ppm1=1.722 ppm2=8.268

assign ( resid 81 and name HB
  )
       ( resid 81 and name HN
  ) 4.1 2.3 0.8 volume=0.239 peak=519 ppm1=1.529 ppm2=7.737

assign ( resid 82 and name HB1
  )
       ( resid 82 and name HB2
  ) 4.1 2.3 0.8 volume=0.213 peak=896 ppm1=2.949 ppm2=3.196

assign ( resid 60 and name HN
  )
       ( resid 68 and name HA
  ) 3.3 1.5 0.7 volume=0.803 peak=428 ppm1=8.317 ppm2=4.676

assign ( resid 60 and name HA
  )
       ( resid 60 and name HG
  ) 6.0 4.2 0.0 volume=0.022 peak=876 ppm1=4.306 ppm2=1.393

assign ( resid 69 and name HZ
  )
       ( resid 67 and name HD1
  or resid 67 and name HD2
  ) 4.0 2.2 0.8 volume=0.265 peak=37 ppm1=5.879 ppm2=1.354

assign ( resid 66 and name HA1
  )
       ( resid 66 and name HA2
  ) 4.0 2.2 0.8 volume=0.275 peak=859 ppm1=4.080 ppm2=3.627

assign ( resid 75 and name HD1#
  )
       ( resid 62 and name HB1
  ) 5.2 3.4 0.8 volume=0.172 peak=719 ppm1=0.692 ppm2=2.725

assign ( resid 82 and name HD2
  )
       ( resid 82 and name HN
  ) 4.7 2.9 0.9 volume=0.105 peak=19 ppm1=6.511 ppm2=6.947

assign ( resid 82 and name HB2
  )
       ( resid 79 and name HG
  ) 5.9 4.1 0.1 volume=0.025 peak=569 ppm1=3.194 ppm2=1.060

assign ( resid 76 and name HG2
  or resid 76 and name HG1
  )
       ( resid 76 and name HA
  ) 4.6 2.8 0.9 volume=0.115 peak=678 ppm1=1.224 ppm2=3.639

assign ( resid 80 and name HN
  )
       ( resid 79 and name HN
  ) 3.5 1.7 0.7 volume=0.547 peak=312 ppm1=6.951 ppm2=8.080

assign ( resid 60 and name HD1#
  )
       ( resid 60 and name HN
  ) 6.0 4.2 0.0 volume=0.048 peak=510 ppm1=0.570 ppm2=8.311

assign ( resid 82 and name HN
  )
       ( resid 79 and name HA
  ) 4.2 2.4 0.8 volume=0.192 peak=234 ppm1=6.995 ppm2=3.633

assign ( resid 68 and name HN
  )
       ( resid 68 and name HG1
  or resid 68 and name HG2
  ) 3.7 1.9 0.7 volume=0.451 peak=389 ppm1=7.911 ppm2=2.045

assign ( resid 79 and name HB1
  )
       ( resid 79 and name HN
  ) 4.7 2.9 0.9 volume=0.098 peak=736 ppm1=1.744 ppm2=8.093

assign ( resid 80 and name HN
  )
       ( resid 81 and name HN
  ) 3.3 1.5 0.7 volume=0.866 peak=416 ppm1=6.956 ppm2=7.760

assign ( resid 63 and name HN
  )
       ( resid 63 and name HB2
  or resid 63 and name HB1
  ) 3.6 1.8 0.7 volume=0.505 peak=377 ppm1=9.206 ppm2=1.777

assign ( resid 71 and name HN
  )
       ( resid 71 and name HA
  ) 3.9 2.1 0.8 volume=0.293 peak=267 ppm1=7.143 ppm2=4.729

assign ( resid 79 and name HG
  )
       ( resid 78 and name HB2
  ) 5.1 3.3 0.9 volume=0.064 peak=497 ppm1=1.083 ppm2=2.943

assign ( resid 78 and name HD2
  )
       ( resid 79 and name HA
  ) 4.7 2.9 0.9 volume=0.097 peak=55 ppm1=6.721 ppm2=3.631

assign ( resid 60 and name HD2#
  )
       ( resid 60 and name HN
  ) 6.0 4.2 0.0 volume=0.038 peak=599 ppm1=0.597 ppm2=8.314

assign ( resid 66 and name HN
  )
       ( resid 64 and name HN
  ) 4.1 2.3 0.8 volume=0.230 peak=457 ppm1=7.984 ppm2=8.681

assign ( resid 64 and name HN
  )
       ( resid 64 and name HG1
  or resid 64 and name HG2
  ) 3.3 1.5 0.7 volume=0.880 peak=418 ppm1=8.669 ppm2=1.642

assign ( resid 67 and name HN
  )
       ( resid 65 and name HA
  ) 4.6 2.8 0.9 volume=0.115 peak=249 ppm1=7.723 ppm2=5.034

assign ( resid 77 and name HA
  )
       ( resid 77 and name HD2
  or resid 77 and name HD1
  ) 4.0 2.2 0.8 volume=0.257 peak=512 ppm1=3.800 ppm2=3.057

assign ( resid 64 and name HB2
  )
       ( resid 64 and name HN
  ) 5.2 3.4 0.8 volume=0.054 peak=720 ppm1=1.194 ppm2=8.680

assign ( resid 79 and name HN
  )
       ( resid 80 and name HN
  ) 3.7 1.9 0.7 volume=0.438 peak=196 ppm1=8.079 ppm2=6.964

assign ( resid 60 and name HD1#
  )
       ( resid 72 and name HA
  ) 5.8 4.0 0.2 volume=0.089 peak=664 ppm1=0.556 ppm2=3.900

assign ( resid 78 and name HD2
  )
       ( resid 82 and name HD2
  ) 4.4 2.6 0.9 volume=0.153 peak=39 ppm1=6.733 ppm2=6.528

assign ( resid 86 and name HB2
  or resid 86 and name HB1
  )
       ( resid 86 and name HN
  ) 5.4 3.6 0.6 volume=0.043 peak=603 ppm1=1.448 ppm2=8.088

assign ( resid 68 and name HG1
  or resid 68 and name HG2
  )
       ( resid 68 and name HE22
  ) 4.7 2.9 0.9 volume=0.101 peak=906 ppm1=2.032 ppm2=7.437

assign ( resid 68 and name HE22
  )
       ( resid 68 and name HG1
  or resid 68 and name HG2
  ) 3.6 1.8 0.7 volume=0.524 peak=429 ppm1=7.442 ppm2=2.035

assign ( resid 60 and name HD1#
  )
       ( resid 75 and name HB2
  ) 5.7 3.9 0.3 volume=0.091 peak=796 ppm1=0.570 ppm2=1.834

assign ( resid 75 and name HG
  )
       ( resid 75 and name HA
  ) 4.3 2.5 0.9 volume=0.159 peak=725 ppm1=1.345 ppm2=2.963

assign ( resid 79 and name HA
  )
       ( resid 82 and name HB2
  ) 6.0 4.2 0.0 volume=0.016 peak=688 ppm1=3.624 ppm2=3.242

assign ( resid 75 and name HB2
  )
       ( resid 75 and name HD2#
  ) 4.8 3.0 1.0 volume=0.263 peak=483 ppm1=1.834 ppm2=0.782

assign ( resid 58 and name HN
  )
       ( resid 59 and name HD1
  or resid 59 and name HD2
  ) 4.1 2.3 0.8 volume=0.221 peak=445 ppm1=7.892 ppm2=3.475

assign ( resid 67 and name HA
  )
       ( resid 67 and name HG2
  or resid 67 and name HG1
  ) 4.3 2.5 0.9 volume=0.171 peak=539 ppm1=3.833 ppm2=0.931

assign ( resid 61 and name HD1
  or resid 61 and name HD2
  )
       ( resid 68 and name HG1
  or resid 68 and name HG2
  ) 5.3 3.5 0.7 volume=0.049 peak=591 ppm1=1.433 ppm2=2.037

assign ( resid 77 and name HA
  )
       ( resid 77 and name HB2
  or resid 77 and name HB1
  ) 3.1 1.3 0.6 volume=1.274 peak=711 ppm1=3.800 ppm2=1.700

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 62 and name HB1
  ) 4.3 2.5 0.9 volume=0.356 peak=86 ppm1=7.042 ppm2=2.734

assign ( resid 67 and name HN
  )
       ( resid 62 and name HB2
  ) 3.7 1.9 0.7 volume=0.444 peak=353 ppm1=7.703 ppm2=3.176

assign ( resid 76 and name HE1
  or resid 76 and name HE2
  )
       ( resid 76 and name HD1
  or resid 76 and name HD2
  ) 2.8 1.0 0.6 volume=2.225 peak=640 ppm1=2.777 ppm2=1.477

assign ( resid 60 and name HD1#
  )
       ( resid 60 and name HA
  ) 6.0 4.2 0.0 volume=0.050 peak=687 ppm1=0.568 ppm2=4.297

assign ( resid 62 and name HA
  )
       ( resid 62 and name HN
  ) 6.0 4.2 0.0 volume=0.017 peak=659 ppm1=4.352 ppm2=9.024

assign ( resid 68 and name HE22
  )
       ( resid 68 and name HE21
  ) 2.3 0.5 0.5 volume=7.659 peak=329 ppm1=7.440 ppm2=6.724

assign ( resid 79 and name HN
  )
       ( resid 79 and name HB1
  ) 3.0 1.2 0.6 volume=1.488 peak=250 ppm1=8.085 ppm2=1.739

assign ( resid 62 and name HN
  )
       ( resid 61 and name HN
  ) 4.2 2.4 0.8 volume=0.192 peak=450 ppm1=9.023 ppm2=7.624

assign ( resid 78 and name HN
  )
       ( resid 76 and name HN
  ) 4.6 2.8 0.9 volume=0.112 peak=372 ppm1=7.308 ppm2=8.238

assign ( resid 65 and name HB1
  )
       ( resid 65 and name HA
  ) 4.6 2.8 0.9 volume=0.120 peak=907 ppm1=3.326 ppm2=5.043

assign ( resid 62 and name HB1
  )
       ( resid 62 and name HN
  ) 4.8 3.0 1.0 volume=0.085 peak=911 ppm1=2.716 ppm2=8.990

assign ( resid 67 and name HD1
  or resid 67 and name HD2
  )
       ( resid 67 and name HG2
  or resid 67 and name HG1
  ) 4.1 2.3 0.8 volume=0.242 peak=578 ppm1=1.335 ppm2=0.950

assign ( resid 70 and name HG2#
  )
       ( resid 71 and name HN
  ) 6.0 4.2 0.0 volume=0.049 peak=520 ppm1=1.103 ppm2=7.183

assign ( resid 67 and name HN
  )
       ( resid 67 and name HA
  ) 3.5 1.7 0.7 volume=0.591 peak=352 ppm1=7.703 ppm2=3.828

assign ( resid 77 and name HN
  )
       ( resid 76 and name HB2
  or resid 76 and name HB1
  ) 3.0 1.2 0.6 volume=1.520 peak=349 ppm1=7.450 ppm2=1.745

assign ( resid 79 and name HG
  )
       ( resid 75 and name HD1#
  ) 6.0 4.2 0.0 volume=0.071 peak=761 ppm1=1.075 ppm2=0.666

assign ( resid 75 and name HB1
  )
       ( resid 69 and name HB1
  ) 5.4 3.6 0.6 volume=0.042 peak=843 ppm1=1.028 ppm2=3.132

assign ( resid 75 and name HA
  )
       ( resid 75 and name HB1
  ) 4.3 2.5 0.9 volume=0.161 peak=769 ppm1=2.939 ppm2=1.031

assign ( resid 58 and name HN
  )
       ( resid 58 and name HA2
  ) 3.7 1.9 0.7 volume=0.403 peak=216 ppm1=7.896 ppm2=3.998

assign ( resid 69 and name HB2
  )
       ( resid 60 and name HB1
  ) 5.2 3.4 0.8 volume=0.052 peak=528 ppm1=2.547 ppm2=1.652

assign ( resid 76 and name HN
  )
       ( resid 76 and name HB2
  or resid 76 and name HB1
  ) 2.8 1.0 0.6 volume=2.270 peak=455 ppm1=8.252 ppm2=1.711

assign ( resid 61 and name HA
  )
       ( resid 61 and name HN
  ) 6.0 4.2 0.0 volume=0.003 peak=864 ppm1=4.916 ppm2=7.632

assign ( resid 83 and name HN
  )
       ( resid 85 and name HN
  ) 5.1 3.3 0.9 volume=0.064 peak=475 ppm1=7.592 ppm2=7.897

assign ( resid 75 and name HD2#
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 6.0 4.2 0.0 volume=0.066 peak=754 ppm1=0.783 ppm2=7.031

assign ( resid 79 and name HG
  )
       ( resid 80 and name HN
  ) 5.1 3.3 0.9 volume=0.061 peak=530 ppm1=1.079 ppm2=6.933

assign ( resid 79 and name HN
  )
       ( resid 77 and name HN
  ) 6.0 4.2 0.0 volume=0.023 peak=337 ppm1=8.076 ppm2=7.473

assign ( resid 78 and name HB1
  )
       ( resid 78 and name HA
  ) 4.8 3.0 1.0 volume=0.084 peak=604 ppm1=2.639 ppm2=4.038

assign ( resid 69 and name HB2
  )
       ( resid 69 and name HN
  ) 5.5 3.7 0.5 volume=0.041 peak=900 ppm1=2.522 ppm2=8.313

assign ( resid 81 and name HB
  )
       ( resid 81 and name HG12
  or resid 81 and name HG11
  ) 4.1 2.3 0.8 volume=0.240 peak=828 ppm1=1.530 ppm2=0.781

assign ( resid 79 and name HG
  )
       ( resid 82 and name HB2
  ) 5.5 3.7 0.5 volume=0.038 peak=574 ppm1=1.073 ppm2=3.180

assign ( resid 69 and name HN
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 4.4 2.6 0.9 volume=0.290 peak=240 ppm1=8.305 ppm2=7.023

assign ( resid 85 and name HG2
  or resid 85 and name HG1
  )
       ( resid 86 and name HN
  ) 5.8 4.0 0.2 volume=0.028 peak=885 ppm1=2.128 ppm2=8.079

assign ( resid 66 and name HN
  )
       ( resid 65 and name HN
  ) 3.1 1.3 0.6 volume=1.246 peak=359 ppm1=7.984 ppm2=8.113

assign ( resid 75 and name HB1
  )
       ( resid 72 and name HA
  ) 5.7 3.9 0.3 volume=0.031 peak=895 ppm1=1.021 ppm2=3.871

assign ( resid 75 and name HG
  )
       ( resid 69 and name HN
  ) 5.5 3.7 0.5 volume=0.040 peak=498 ppm1=1.344 ppm2=8.269

assign ( resid 78 and name HN
  )
       ( resid 77 and name HN
  ) 3.3 1.5 0.7 volume=0.794 peak=192 ppm1=7.301 ppm2=7.441

assign ( resid 78 and name HN
  )
       ( resid 78 and name HA
  ) 3.1 1.3 0.6 volume=1.108 peak=301 ppm1=7.301 ppm2=4.021

assign ( resid 63 and name HA
  )
       ( resid 63 and name HB2
  or resid 63 and name HB1
  ) 3.4 1.6 0.7 volume=0.659 peak=551 ppm1=3.980 ppm2=1.769

assign ( resid 76 and name HG1
  )
       ( resid 76 and name HE1
  or resid 76 and name HE2
  ) 3.8 2.0 0.8 volume=0.369 peak=600 ppm1=1.222 ppm2=2.775

assign ( resid 76 and name HN
  )
       ( resid 76 and name HD1
  or resid 76 and name HD2
  ) 3.9 2.1 0.8 volume=0.304 peak=462 ppm1=8.248 ppm2=1.517

assign ( resid 81 and name HB
  )
       ( resid 81 and name HD1#
  ) 4.2 2.4 0.8 volume=0.610 peak=509 ppm1=1.531 ppm2=0.561

assign ( resid 71 and name HN
  )
       ( resid 70 and name HA
  ) 3.7 1.9 0.7 volume=0.439 peak=410 ppm1=7.143 ppm2=4.245

assign ( resid 82 and name HN
  )
       ( resid 83 and name HN
  ) 4.0 2.2 0.8 volume=0.280 peak=201 ppm1=6.962 ppm2=7.582

assign ( resid 80 and name HN
  )
       ( resid 77 and name HA
  ) 3.7 1.9 0.7 volume=0.449 peak=284 ppm1=6.951 ppm2=3.781

assign ( resid 79 and name HG
  )
       ( resid 82 and name HD2
  ) 4.3 2.5 0.9 volume=0.181 peak=780 ppm1=1.077 ppm2=6.517

assign ( resid 75 and name HB2
  )
       ( resid 75 and name HB1
  ) 4.1 2.3 0.8 volume=0.225 peak=673 ppm1=1.834 ppm2=1.025

assign ( resid 75 and name HG
  )
       ( resid 75 and name HD2#
  ) 4.4 2.6 0.9 volume=0.446 peak=485 ppm1=1.332 ppm2=0.787

assign ( resid 80 and name HN
  )
       ( resid 79 and name HB2
  ) 3.9 2.1 0.8 volume=0.288 peak=228 ppm1=6.958 ppm2=1.405

assign ( resid 61 and name HN
  )
       ( resid 61 and name HB2
  or resid 61 and name HB1
  ) 3.6 1.8 0.7 volume=0.519 peak=388 ppm1=7.580 ppm2=1.430

assign ( resid 76 and name HA
  )
       ( resid 76 and name HN
  ) 4.3 2.5 0.9 volume=0.165 peak=800 ppm1=3.654 ppm2=8.235

assign ( resid 77 and name HG1
  or resid 77 and name HG2
  )
       ( resid 77 and name HN
  ) 4.8 3.0 1.0 volume=0.086 peak=730 ppm1=1.440 ppm2=7.464

assign ( resid 85 and name HA
  )
       ( resid 85 and name HB2
  ) 3.8 2.0 0.8 volume=0.381 peak=693 ppm1=4.071 ppm2=1.823

assign ( resid 75 and name HN
  )
       ( resid 74 and name HB1
  or resid 74 and name HB2
  ) 3.5 1.7 0.7 volume=0.539 peak=211 ppm1=7.344 ppm2=2.802

assign ( resid 75 and name HB2
  )
       ( resid 75 and name HA
  ) 5.0 3.2 1.0 volume=0.068 peak=582 ppm1=1.826 ppm2=2.937

assign ( resid 65 and name HB1
  )
       ( resid 65 and name HB2
  ) 3.6 1.8 0.7 volume=0.479 peak=558 ppm1=3.314 ppm2=2.734

assign ( resid 80 and name HG1
  or resid 80 and name HG2
  )
       ( resid 80 and name HN
  ) 4.7 2.9 0.9 volume=0.098 peak=585 ppm1=1.535 ppm2=6.947

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 69 and name HN
  ) 4.7 2.9 0.9 volume=0.201 peak=11 ppm1=7.046 ppm2=8.317

assign ( resid 79 and name HA
  )
       ( resid 79 and name HB1
  ) 5.2 3.4 0.8 volume=0.056 peak=543 ppm1=3.639 ppm2=1.760

assign ( resid 81 and name HA
  )
       ( resid 82 and name HN
  ) 4.8 3.0 1.0 volume=0.087 peak=595 ppm1=3.801 ppm2=6.960

assign ( resid 65 and name HN
  )
       ( resid 66 and name HA2
  ) 3.7 1.9 0.7 volume=0.399 peak=272 ppm1=8.121 ppm2=3.607

assign ( resid 63 and name HN
  )
       ( resid 64 and name HN
  ) 4.2 2.4 0.8 volume=0.183 peak=289 ppm1=9.220 ppm2=8.669

assign ( resid 77 and name HN
  )
       ( resid 76 and name HA
  ) 3.5 1.7 0.7 volume=0.599 peak=231 ppm1=7.450 ppm2=3.645

assign ( resid 78 and name HD2
  )
       ( resid 62 and name HB2
  ) 4.5 2.7 0.9 volume=0.136 peak=167 ppm1=6.739 ppm2=3.188

assign ( resid 68 and name HE22
  )
       ( resid 68 and name HB1
  ) 4.2 2.4 0.8 volume=0.199 peak=347 ppm1=7.451 ppm2=1.612

assign ( resid 79 and name HN
  )
       ( resid 81 and name HN
  ) 4.4 2.6 0.9 volume=0.141 peak=294 ppm1=8.095 ppm2=7.799

assign ( resid 59 and name HD1
  or resid 59 and name HD2
  )
       ( resid 59 and name HA
  ) 6.0 4.2 0.0 volume=0.006 peak=853 ppm1=3.489 ppm2=4.352

assign ( resid 82 and name HB1
  )
       ( resid 79 and name HA
  ) 6.0 4.2 0.0 volume=0.017 peak=908 ppm1=2.950 ppm2=3.681

assign ( resid 61 and name HA
  )
       ( resid 61 and name HB2
  or resid 61 and name HB1
  ) 5.5 3.7 0.5 volume=0.040 peak=826 ppm1=4.908 ppm2=1.412

assign ( resid 81 and name HN
  )
       ( resid 80 and name HB2
  or resid 80 and name HB1
  ) 3.4 1.6 0.7 volume=0.690 peak=269 ppm1=7.759 ppm2=1.670

assign ( resid 64 and name HB1
  )
       ( resid 64 and name HN
  ) 5.3 3.5 0.7 volume=0.047 peak=790 ppm1=1.007 ppm2=8.670

assign ( resid 61 and name HB2
  or resid 61 and name HB1
  )
       ( resid 62 and name HN
  ) 6.0 4.2 0.0 volume=0.018 peak=521 ppm1=1.431 ppm2=8.991

assign ( resid 61 and name HN
  )
       ( resid 61 and name HG2
  or resid 61 and name HG1
  ) 4.2 2.4 0.8 volume=0.193 peak=378 ppm1=7.597 ppm2=0.978

assign ( resid 66 and name HA2
  )
       ( resid 67 and name HN
  ) 4.8 3.0 1.0 volume=0.091 peak=866 ppm1=3.635 ppm2=7.714

assign ( resid 75 and name HD2#
  )
       ( resid 75 and name HA
  ) 5.4 3.6 0.6 volume=0.133 peak=899 ppm1=0.784 ppm2=2.945

assign ( resid 78 and name HD2
  )
       ( resid 62 and name HB1
  ) 4.2 2.4 0.8 volume=0.202 peak=185 ppm1=6.730 ppm2=2.730

assign ( resid 75 and name HN
  )
       ( resid 73 and name HA2
  or resid 73 and name HA1
  ) 3.9 2.1 0.8 volume=0.286 peak=279 ppm1=7.341 ppm2=3.822

assign ( resid 66 and name HN
  )
       ( resid 62 and name HN
  ) 4.4 2.6 0.9 volume=0.150 peak=399 ppm1=7.986 ppm2=8.992

assign ( resid 64 and name HB1
  )
       ( resid 64 and name HA
  ) 5.5 3.7 0.5 volume=0.037 peak=849 ppm1=1.008 ppm2=4.094

assign ( resid 60 and name HA
  )
       ( resid 75 and name HD2#
  ) 6.0 4.2 0.0 volume=0.054 peak=775 ppm1=4.307 ppm2=0.780

assign ( resid 69 and name HB2
  )
       ( resid 75 and name HN
  ) 5.1 3.3 0.9 volume=0.063 peak=705 ppm1=2.545 ppm2=7.354

assign ( resid 80 and name HA
  )
       ( resid 80 and name HG1
  or resid 80 and name HG2
  ) 3.5 1.7 0.7 volume=0.579 peak=534 ppm1=3.931 ppm2=1.554

assign ( resid 62 and name HB1
  )
       ( resid 75 and name HD1#
  ) 5.3 3.5 0.7 volume=0.150 peak=572 ppm1=2.728 ppm2=0.716

assign ( resid 86 and name HN
  )
       ( resid 85 and name HB2
  ) 3.8 2.0 0.8 volume=0.345 peak=422 ppm1=8.078 ppm2=1.822

assign ( resid 75 and name HN
  )
       ( resid 75 and name HD2#
  ) 4.7 2.9 0.9 volume=0.302 peak=440 ppm1=7.342 ppm2=0.798

assign ( resid 79 and name HG
  )
       ( resid 79 and name HB1
  ) 3.9 2.1 0.8 volume=0.299 peak=682 ppm1=1.073 ppm2=1.715

assign ( resid 69 and name HB1
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 4.5 2.7 0.9 volume=0.273 peak=622 ppm1=3.115 ppm2=7.037

assign ( resid 65 and name HN
  )
       ( resid 66 and name HN
  ) 2.8 1.0 0.6 volume=2.308 peak=323 ppm1=8.113 ppm2=7.979

assign ( resid 75 and name HD1#
  )
       ( resid 78 and name HD2
  ) 4.8 3.0 1.0 volume=0.250 peak=854 ppm1=0.691 ppm2=6.705

assign ( resid 62 and name HB2
  )
       ( resid 78 and name HD2
  ) 4.8 3.0 1.0 volume=0.091 peak=892 ppm1=3.192 ppm2=6.687

assign ( resid 61 and name HB2
  or resid 61 and name HB1
  )
       ( resid 61 and name HG2
  or resid 61 and name HG1
  ) 4.2 2.4 0.8 volume=0.205 peak=817 ppm1=1.430 ppm2=0.968

assign ( resid 77 and name HA
  )
       ( resid 79 and name HN
  ) 6.0 4.2 0.0 volume=0.002 peak=745 ppm1=3.799 ppm2=8.063

assign ( resid 75 and name HB2
  )
       ( resid 75 and name HN
  ) 4.7 2.9 0.9 volume=0.096 peak=499 ppm1=1.830 ppm2=7.354

assign ( resid 79 and name HN
  )
       ( resid 79 and name HA
  ) 3.2 1.4 0.6 volume=1.085 peak=306 ppm1=8.084 ppm2=3.639

assign ( resid 79 and name HN
  )
       ( resid 76 and name HA
  ) 3.2 1.4 0.6 volume=0.940 peak=243 ppm1=8.079 ppm2=3.625

assign ( resid 83 and name HN
  )
       ( resid 80 and name HA
  ) 4.2 2.4 0.8 volume=0.193 peak=466 ppm1=7.581 ppm2=3.939

assign ( resid 80 and name HD2
  or resid 80 and name HD1
  )
       ( resid 80 and name HB2
  or resid 80 and name HB1
  ) 3.0 1.2 0.6 volume=1.625 peak=556 ppm1=3.058 ppm2=1.687

assign ( resid 63 and name HN
  )
       ( resid 62 and name HB1
  ) 4.8 3.0 1.0 volume=0.087 peak=427 ppm1=9.218 ppm2=2.740

assign ( resid 76 and name HA
  )
       ( resid 78 and name HN
  ) 5.7 3.9 0.3 volume=0.032 peak=612 ppm1=3.654 ppm2=7.283

assign ( resid 69 and name HZ
  )
       ( resid 78 and name HE1
  ) 4.3 2.5 0.9 volume=0.161 peak=154 ppm1=5.878 ppm2=7.894

assign ( resid 64 and name HB2
  )
       ( resid 64 and name HG1
  or resid 64 and name HG2
  ) 3.8 2.0 0.8 volume=0.354 peak=523 ppm1=1.182 ppm2=1.685

assign ( resid 60 and name HN
  )
       ( resid 60 and name HD2#
  ) 4.4 2.6 0.9 volume=0.433 peak=207 ppm1=8.309 ppm2=0.601

assign ( resid 67 and name HD1
  or resid 67 and name HD2
  )
       ( resid 67 and name HE2
  ) 3.7 1.9 0.7 volume=0.445 peak=821 ppm1=1.311 ppm2=2.781

assign ( resid 66 and name HA2
  )
       ( resid 61 and name HG2
  or resid 61 and name HG1
  ) 5.0 3.2 1.0 volume=0.068 peak=757 ppm1=3.631 ppm2=0.953

assign ( resid 77 and name HB2
  or resid 77 and name HB1
  )
       ( resid 77 and name HD2
  or resid 77 and name HD1
  ) 3.6 1.8 0.7 volume=0.532 peak=749 ppm1=1.696 ppm2=3.055

assign ( resid 66 and name HA1
  )
       ( resid 62 and name HN
  ) 6.0 4.2 0.0 volume=0.005 peak=478 ppm1=4.069 ppm2=8.985

assign ( resid 75 and name HB2
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 6.0 4.2 0.0 volume=0.013 peak=677 ppm1=1.826 ppm2=7.043

assign ( resid 78 and name HD2
  )
       ( resid 75 and name HD1#
  ) 4.8 3.0 1.0 volume=0.278 peak=101 ppm1=6.734 ppm2=0.695

assign ( resid 78 and name HB2
  )
       ( resid 78 and name HD2
  ) 4.8 3.0 1.0 volume=0.083 peak=486 ppm1=2.921 ppm2=6.695

assign ( resid 60 and name HN
  )
       ( resid 60 and name HD1#
  ) 4.4 2.6 0.9 volume=0.433 peak=233 ppm1=8.309 ppm2=0.580

assign ( resid 68 and name HB1
  )
       ( resid 68 and name HG1
  or resid 68 and name HG2
  ) 3.7 1.9 0.7 volume=0.427 peak=820 ppm1=1.607 ppm2=2.041

assign ( resid 64 and name HN
  )
       ( resid 63 and name HN
  ) 3.9 2.1 0.8 volume=0.295 peak=432 ppm1=8.669 ppm2=9.209

assign ( resid 67 and name HD1
  or resid 67 and name HD2
  )
       ( resid 67 and name HN
  ) 4.7 2.9 0.9 volume=0.095 peak=880 ppm1=1.335 ppm2=7.709

assign ( resid 86 and name HN
  )
       ( resid 86 and name HA
  ) 3.7 1.9 0.7 volume=0.389 peak=300 ppm1=8.072 ppm2=4.390

assign ( resid 82 and name HE1
  )
       ( resid 82 and name HD2
  ) 6.0 4.2 0.0 volume=0.012 peak=162 ppm1=7.865 ppm2=6.489

assign ( resid 85 and name HG2
  or resid 85 and name HG1
  )
       ( resid 85 and name HA
  ) 4.8 3.0 1.0 volume=0.093 peak=583 ppm1=2.139 ppm2=4.075

assign ( resid 74 and name HN
  )
       ( resid 71 and name HN
  ) 4.3 2.5 0.9 volume=0.161 peak=415 ppm1=7.742 ppm2=7.161

assign ( resid 75 and name HG
  )
       ( resid 75 and name HB1
  ) 3.8 2.0 0.8 volume=0.385 peak=544 ppm1=1.348 ppm2=1.030

assign ( resid 80 and name HD2
  or resid 80 and name HD1
  )
       ( resid 80 and name HN
  ) 4.9 3.1 1.0 volume=0.075 peak=592 ppm1=3.059 ppm2=6.948

assign ( resid 83 and name HN
  )
       ( resid 82 and name HB2
  ) 4.4 2.6 0.9 volume=0.152 peak=343 ppm1=7.584 ppm2=3.192

assign ( resid 75 and name HD1#
  )
       ( resid 62 and name HA
  ) 6.0 4.2 0.0 volume=0.043 peak=596 ppm1=0.701 ppm2=4.347

assign ( resid 76 and name HN
  )
       ( resid 76 and name HE1
  or resid 76 and name HE2
  ) 4.3 2.5 0.9 volume=0.175 peak=369 ppm1=8.241 ppm2=2.826

assign ( resid 68 and name HN
  )
       ( resid 67 and name HB2
  ) 3.3 1.5 0.7 volume=0.911 peak=193 ppm1=7.910 ppm2=1.313

assign ( resid 79 and name HA
  )
       ( resid 78 and name HD2
  ) 5.4 3.6 0.6 volume=0.041 peak=901 ppm1=3.627 ppm2=6.717

assign ( resid 68 and name HN
  )
       ( resid 67 and name HN
  ) 4.2 2.4 0.8 volume=0.198 peak=286 ppm1=7.910 ppm2=7.702

assign ( resid 81 and name HN
  )
       ( resid 81 and name HA
  ) 3.3 1.5 0.7 volume=0.900 peak=290 ppm1=7.759 ppm2=3.792

assign ( resid 69 and name HB2
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 4.7 2.9 0.9 volume=0.198 peak=689 ppm1=2.542 ppm2=7.035

assign ( resid 63 and name HG2
  or resid 63 and name HG1
  )
       ( resid 64 and name HN
  ) 6.0 4.2 0.0 volume=0.017 peak=617 ppm1=1.566 ppm2=8.673

assign ( resid 62 and name HN
  )
       ( resid 61 and name HB2
  or resid 61 and name HB1
  ) 4.0 2.2 0.8 volume=0.256 peak=318 ppm1=9.009 ppm2=1.410

assign ( resid 68 and name HN
  )
       ( resid 68 and name HB2
  ) 3.3 1.5 0.7 volume=0.846 peak=200 ppm1=7.912 ppm2=1.737

assign ( resid 80 and name HB2
  or resid 80 and name HB1
  )
       ( resid 80 and name HA
  ) 3.9 2.1 0.8 volume=0.294 peak=902 ppm1=1.686 ppm2=3.975

assign ( resid 85 and name HN
  )
       ( resid 85 and name HG2
  ) 3.5 1.7 0.7 volume=0.602 peak=213 ppm1=7.877 ppm2=2.106

assign ( resid 58 and name HA1
  )
       ( resid 59 and name HD1
  or resid 59 and name HD2
  ) 4.1 2.3 0.8 volume=0.213 peak=812 ppm1=3.910 ppm2=3.491

assign ( resid 77 and name HB2
  or resid 77 and name HB1
  )
       ( resid 77 and name HG1
  or resid 77 and name HG2
  ) 3.0 1.2 0.6 volume=1.351 peak=669 ppm1=1.697 ppm2=1.458

assign ( resid 79 and name HA
  )
       ( resid 79 and name HN
  ) 5.0 3.2 1.0 volume=0.065 peak=515 ppm1=3.637 ppm2=8.062

assign ( resid 75 and name HB2
  )
       ( resid 75 and name HG
  ) 4.3 2.5 0.9 volume=0.162 peak=602 ppm1=1.823 ppm2=1.326

assign ( resid 67 and name HN
  )
       ( resid 67 and name HG2
  or resid 67 and name HG1
  ) 4.0 2.2 0.8 volume=0.248 peak=262 ppm1=7.688 ppm2=0.893

assign ( resid 75 and name HN
  )
       ( resid 75 and name HB2
  ) 3.2 1.4 0.6 volume=0.962 peak=223 ppm1=7.344 ppm2=1.820

assign ( resid 75 and name HB1
  )
       ( resid 75 and name HA
  ) 4.4 2.6 0.9 volume=0.146 peak=905 ppm1=1.024 ppm2=2.933

assign ( resid 77 and name HB2
  or resid 77 and name HB1
  )
       ( resid 77 and name HN
  ) 4.0 2.2 0.8 volume=0.270 peak=525 ppm1=1.697 ppm2=7.447

assign ( resid 81 and name HB
  )
       ( resid 82 and name HN
  ) 5.4 3.6 0.6 volume=0.044 peak=724 ppm1=1.529 ppm2=6.967

assign ( resid 78 and name HN
  )
       ( resid 78 and name HB2
  ) 2.8 1.0 0.6 volume=2.085 peak=363 ppm1=7.305 ppm2=2.922

assign ( resid 67 and name HD1
  or resid 67 and name HD2
  )
       ( resid 67 and name HB1
  ) 3.6 1.8 0.7 volume=0.515 peak=587 ppm1=1.335 ppm2=1.089

assign ( resid 75 and name HB1
  )
       ( resid 75 and name HB2
  ) 4.1 2.3 0.8 volume=0.234 peak=482 ppm1=1.024 ppm2=1.834

assign ( resid 68 and name HN
  )
       ( resid 62 and name HB1
  ) 4.0 2.2 0.8 volume=0.271 peak=404 ppm1=7.906 ppm2=2.751

assign ( resid 65 and name HN
  )
       ( resid 62 and name HB1
  ) 3.5 1.7 0.7 volume=0.608 peak=366 ppm1=8.118 ppm2=2.733

assign ( resid 67 and name HN
  )
       ( resid 65 and name HB2
  ) 3.7 1.9 0.7 volume=0.425 peak=330 ppm1=7.698 ppm2=2.711

assign ( resid 62 and name HB1
  )
       ( resid 67 and name HB2
  ) 4.6 2.8 0.9 volume=0.119 peak=508 ppm1=2.715 ppm2=1.357

assign ( resid 75 and name HD1#
  )
       ( resid 79 and name HN
  ) 6.0 4.2 0.0 volume=0.066 peak=710 ppm1=0.686 ppm2=8.087

assign ( resid 78 and name HD2
  )
       ( resid 78 and name HN
  ) 5.7 3.9 0.3 volume=0.031 peak=85 ppm1=6.731 ppm2=7.324

assign ( resid 64 and name HB1
  )
       ( resid 64 and name HG1
  or resid 64 and name HG2
  ) 4.6 2.8 0.9 volume=0.109 peak=910 ppm1=1.012 ppm2=1.678

assign ( resid 81 and name HA
  )
       ( resid 81 and name HN
  ) 4.1 2.3 0.8 volume=0.223 peak=638 ppm1=3.800 ppm2=7.762

assign ( resid 69 and name HN
  )
       ( resid 68 and name HA
  ) 3.2 1.4 0.6 volume=0.919 peak=328 ppm1=8.304 ppm2=4.683

assign ( resid 62 and name HN
  )
       ( resid 75 and name HD1#
  ) 5.2 3.4 0.8 volume=0.168 peak=288 ppm1=8.999 ppm2=0.709

assign ( resid 64 and name HN
  )
       ( resid 64 and name HB2
  ) 3.4 1.6 0.7 volume=0.744 peak=371 ppm1=8.671 ppm2=1.178

assign ( resid 59 and name HD1
  or resid 59 and name HD2
  )
       ( resid 70 and name HN
  ) 6.0 4.2 0.0 volume=0.006 peak=858 ppm1=3.476 ppm2=9.063

assign ( resid 64 and name HB2
  )
       ( resid 64 and name HB1
  ) 4.4 2.6 0.9 volume=0.157 peak=893 ppm1=1.184 ppm2=1.009

assign ( resid 75 and name HD1#
  )
       ( resid 75 and name HB2
  ) 4.6 2.8 0.9 volume=0.327 peak=897 ppm1=0.691 ppm2=1.849

assign ( resid 78 and name HA
  )
       ( resid 78 and name HB1
  ) 4.3 2.5 0.9 volume=0.165 peak=500 ppm1=4.029 ppm2=2.620

assign ( resid 86 and name HA
  )
       ( resid 86 and name HB2
  or resid 86 and name HB1
  ) 5.0 3.2 1.0 volume=0.067 peak=549 ppm1=4.400 ppm2=1.406

assign ( resid 64 and name HB2
  )
       ( resid 64 and name HA
  ) 5.2 3.4 0.8 volume=0.055 peak=611 ppm1=1.185 ppm2=4.062

assign ( resid 68 and name HB1
  )
       ( resid 68 and name HB2
  ) 2.7 0.9 0.5 volume=3.028 peak=542 ppm1=1.600 ppm2=1.739

assign ( resid 75 and name HN
  )
       ( resid 60 and name HD1#
  ) 5.0 3.2 1.0 volume=0.216 peak=471 ppm1=7.344 ppm2=0.598

assign ( resid 77 and name HN
  )
       ( resid 77 and name HD2
  or resid 77 and name HD1
  ) 3.7 1.9 0.7 volume=0.418 peak=248 ppm1=7.447 ppm2=3.070

assign ( resid 76 and name HN
  )
       ( resid 73 and name HA2
  or resid 73 and name HA1
  ) 3.8 2.0 0.8 volume=0.341 peak=392 ppm1=8.251 ppm2=3.769

assign ( resid 75 and name HB2
  )
       ( resid 69 and name HB1
  ) 5.7 3.9 0.3 volume=0.030 peak=563 ppm1=1.831 ppm2=3.163

assign ( resid 60 and name HD1#
  )
       ( resid 75 and name HD2#
  ) 5.2 3.4 0.8 volume=0.494 peak=773 ppm1=0.565 ppm2=0.783

assign ( resid 74 and name HN
  )
       ( resid 77 and name HN
  ) 4.3 2.5 0.9 volume=0.162 peak=311 ppm1=7.744 ppm2=7.488

assign ( resid 78 and name HN
  )
       ( resid 75 and name HA
  ) 3.2 1.4 0.6 volume=1.061 peak=215 ppm1=7.302 ppm2=2.982

assign ( resid 65 and name HA
  )
       ( resid 65 and name HN
  ) 4.6 2.8 0.9 volume=0.114 peak=527 ppm1=5.030 ppm2=8.108

assign ( resid 85 and name HN
  )
       ( resid 83 and name HB2
  or resid 83 and name HB1
  ) 3.0 1.2 0.6 volume=1.451 peak=376 ppm1=7.877 ppm2=3.769

assign ( resid 68 and name HB2
  )
       ( resid 68 and name HN
  ) 4.3 2.5 0.9 volume=0.171 peak=863 ppm1=1.741 ppm2=7.903

assign ( resid 67 and name HB2
  )
       ( resid 67 and name HA
  ) 4.7 2.9 0.9 volume=0.097 peak=753 ppm1=1.328 ppm2=3.814

assign ( resid 75 and name HB2
  )
       ( resid 60 and name HD2#
  ) 5.8 4.0 0.2 volume=0.088 peak=717 ppm1=1.827 ppm2=0.612

assign ( resid 82 and name HD2
  )
       ( resid 82 and name HE1
  ) 6.0 4.2 0.0 volume=0.022 peak=127 ppm1=6.511 ppm2=7.884

assign ( resid 74 and name HN
  )
       ( resid 74 and name HB1
  or resid 74 and name HB2
  ) 3.2 1.4 0.6 volume=1.001 peak=316 ppm1=7.740 ppm2=2.807

assign ( resid 81 and name HN
  )
       ( resid 80 and name HG1
  or resid 80 and name HG2
  ) 3.2 1.4 0.6 volume=0.950 peak=417 ppm1=7.759 ppm2=1.525

assign ( resid 80 and name HG1
  or resid 80 and name HG2
  )
       ( resid 80 and name HD2
  or resid 80 and name HD1
  ) 3.4 1.6 0.7 volume=0.674 peak=791 ppm1=1.525 ppm2=3.045

assign ( resid 74 and name HA
  )
       ( resid 78 and name HB1
  ) 4.8 3.0 1.0 volume=0.084 peak=755 ppm1=4.403 ppm2=2.629

assign ( resid 68 and name HG1
  or resid 68 and name HG2
  )
       ( resid 61 and name HD1
  or resid 61 and name HD2
  ) 4.4 2.6 0.9 volume=0.151 peak=683 ppm1=2.033 ppm2=1.400

assign ( resid 63 and name HB2
  or resid 63 and name HB1
  )
       ( resid 63 and name HD1
  or resid 63 and name HD2
  ) 4.0 2.2 0.8 volume=0.268 peak=531 ppm1=1.780 ppm2=3.075

assign ( resid 63 and name HN
  )
       ( resid 63 and name HG2
  or resid 63 and name HG1
  ) 3.8 2.0 0.8 volume=0.386 peak=195 ppm1=9.217 ppm2=1.582

assign ( resid 80 and name HA
  )
       ( resid 85 and name HB1
  ) 4.2 2.4 0.8 volume=0.188 peak=514 ppm1=3.926 ppm2=1.889

assign ( resid 64 and name HN
  )
       ( resid 63 and name HA
  ) 3.1 1.3 0.6 volume=1.255 peak=358 ppm1=8.662 ppm2=4.019

assign ( resid 77 and name HG1
  or resid 77 and name HG2
  )
       ( resid 77 and name HA
  ) 4.6 2.8 0.9 volume=0.113 peak=597 ppm1=1.436 ppm2=3.801

assign ( resid 86 and name HN
  )
       ( resid 86 and name HB2
  or resid 86 and name HB1
  ) 3.6 1.8 0.7 volume=0.526 peak=348 ppm1=8.080 ppm2=1.430

assign ( resid 75 and name HD2#
  )
       ( resid 75 and name HD1#
  ) 3.6 1.8 0.7 volume=4.695 peak=567 ppm1=0.787 ppm2=0.715

assign ( resid 80 and name HN
  )
       ( resid 80 and name HA
  ) 3.3 1.5 0.7 volume=0.824 peak=461 ppm1=6.949 ppm2=3.929

assign ( resid 83 and name HN
  )
       ( resid 84 and name HN
  ) 4.9 3.1 1.0 volume=0.080 peak=397 ppm1=7.602 ppm2=8.060

assign ( resid 80 and name HA
  )
       ( resid 80 and name HD2
  or resid 80 and name HD1
  ) 4.5 2.7 0.9 volume=0.136 peak=795 ppm1=3.930 ppm2=3.044

assign ( resid 82 and name HB2
  )
       ( resid 82 and name HN
  ) 5.5 3.7 0.5 volume=0.041 peak=690 ppm1=3.209 ppm2=6.988

assign ( resid 61 and name HE1
  or resid 61 and name HE2
  )
       ( resid 68 and name HG1
  or resid 68 and name HG2
  ) 5.5 3.7 0.5 volume=0.040 peak=654 ppm1=2.789 ppm2=2.026

assign ( resid 75 and name HN
  )
       ( resid 71 and name HN
  ) 4.5 2.7 0.9 volume=0.135 peak=291 ppm1=7.332 ppm2=7.169

assign ( resid 82 and name HB1
  )
       ( resid 64 and name HG1
  or resid 64 and name HG2
  ) 5.1 3.3 0.9 volume=0.060 peak=518 ppm1=2.964 ppm2=1.691

assign ( resid 76 and name HN
  )
       ( resid 76 and name HG2
  or resid 76 and name HG1
  ) 3.8 2.0 0.8 volume=0.372 peak=214 ppm1=8.249 ppm2=1.238

assign ( resid 81 and name HN
  )
       ( resid 83 and name HN
  ) 4.3 2.5 0.9 volume=0.166 peak=218 ppm1=7.766 ppm2=7.588

assign ( resid 77 and name HB2
  or resid 77 and name HB1
  )
       ( resid 74 and name HB1
  or resid 74 and name HB2
  ) 5.0 3.2 1.0 volume=0.072 peak=516 ppm1=1.700 ppm2=2.843

assign ( resid 83 and name HA
  )
       ( resid 83 and name HB2
  or resid 83 and name HB1
  ) 3.6 1.8 0.7 volume=0.512 peak=538 ppm1=4.267 ppm2=3.768

assign ( resid 79 and name HB1
  )
       ( resid 80 and name HN
  ) 5.5 3.7 0.5 volume=0.038 peak=503 ppm1=1.746 ppm2=6.939

assign ( resid 62 and name HA
  )
       ( resid 62 and name HB1
  ) 5.6 3.8 0.4 volume=0.035 peak=799 ppm1=4.345 ppm2=2.725

assign ( resid 85 and name HB1
  )
       ( resid 85 and name HG2
  ) 3.4 1.6 0.7 volume=0.657 peak=729 ppm1=1.865 ppm2=2.100

assign ( resid 84 and name HA1
  or resid 84 and name HA2
  )
       ( resid 85 and name HN
  ) 4.4 2.6 0.9 volume=0.146 peak=658 ppm1=3.805 ppm2=7.888

assign ( resid 66 and name HN
  )
       ( resid 67 and name HN
  ) 3.7 1.9 0.7 volume=0.446 peak=210 ppm1=7.980 ppm2=7.698

assign ( resid 76 and name HD1
  or resid 76 and name HD2
  )
       ( resid 76 and name HG2
  or resid 76 and name HG1
  ) 2.7 0.9 0.5 volume=2.609 peak=487 ppm1=1.486 ppm2=1.240

assign ( resid 78 and name HN
  )
       ( resid 80 and name HN
  ) 4.2 2.4 0.8 volume=0.207 peak=409 ppm1=7.280 ppm2=6.912

assign ( resid 75 and name HD1#
  )
       ( resid 75 and name HA
  ) 4.6 2.8 0.9 volume=0.359 peak=784 ppm1=0.692 ppm2=2.937

assign ( resid 76 and name HB2
  or resid 76 and name HB1
  )
       ( resid 76 and name HA
  ) 3.8 2.0 0.8 volume=0.382 peak=577 ppm1=1.719 ppm2=3.645

assign ( resid 75 and name HN
  )
       ( resid 75 and name HD1#
  ) 4.3 2.5 0.9 volume=0.493 peak=271 ppm1=7.342 ppm2=0.719

assign ( resid 77 and name HB2
  or resid 77 and name HB1
  )
       ( resid 77 and name HA
  ) 3.7 1.9 0.7 volume=0.406 peak=842 ppm1=1.684 ppm2=3.821

assign ( resid 74 and name HB1
  or resid 74 and name HB2
  )
       ( resid 69 and name HB1
  ) 4.5 2.7 0.9 volume=0.124 peak=768 ppm1=2.826 ppm2=3.122

assign ( resid 69 and name HB2
  )
       ( resid 69 and name HB1
  ) 4.5 2.7 0.9 volume=0.133 peak=629 ppm1=2.567 ppm2=3.130

assign ( resid 81 and name HA
  )
       ( resid 81 and name HD1#
  ) 4.6 2.8 0.9 volume=0.348 peak=830 ppm1=3.800 ppm2=0.551

assign ( resid 76 and name HN
  )
       ( resid 75 and name HN
  ) 3.5 1.7 0.7 volume=0.614 peak=321 ppm1=8.250 ppm2=7.335

assign ( resid 79 and name HN
  )
       ( resid 78 and name HB2
  ) 3.5 1.7 0.7 volume=0.627 peak=254 ppm1=8.080 ppm2=2.922

assign ( resid 77 and name HN
  )
       ( resid 77 and name HG1
  or resid 77 and name HG2
  ) 3.4 1.6 0.7 volume=0.719 peak=454 ppm1=7.450 ppm2=1.429

assign ( resid 74 and name HB1
  or resid 74 and name HB2
  )
       ( resid 78 and name HB1
  ) 4.4 2.6 0.9 volume=0.138 peak=894 ppm1=2.803 ppm2=2.612

assign ( resid 75 and name HB1
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 5.7 3.9 0.3 volume=0.060 peak=825 ppm1=1.033 ppm2=7.038

assign ( resid 62 and name HB1
  )
       ( resid 67 and name HN
  ) 5.0 3.2 1.0 volume=0.065 peak=789 ppm1=2.716 ppm2=7.709

assign ( resid 61 and name HD1
  or resid 61 and name HD2
  )
       ( resid 61 and name HE1
  or resid 61 and name HE2
  ) 3.3 1.5 0.7 volume=0.828 peak=501 ppm1=1.430 ppm2=2.772

assign ( resid 60 and name HN
  )
       ( resid 59 and name HB2
  or resid 59 and name HB1
  ) 4.1 2.3 0.8 volume=0.238 peak=241 ppm1=8.311 ppm2=2.088

assign ( resid 82 and name HD2
  )
       ( resid 79 and name HA
  ) 4.0 2.2 0.8 volume=0.267 peak=116 ppm1=6.519 ppm2=3.641

assign ( resid 81 and name HN
  )
       ( resid 82 and name HN
  ) 3.2 1.4 0.6 volume=0.922 peak=449 ppm1=7.759 ppm2=6.978

assign ( resid 69 and name HN
  )
       ( resid 68 and name HB1
  ) 3.4 1.6 0.7 volume=0.701 peak=245 ppm1=8.304 ppm2=1.579

assign ( resid 64 and name HN
  )
       ( resid 65 and name HN
  ) 3.3 1.5 0.7 volume=0.898 peak=476 ppm1=8.675 ppm2=8.118

assign ( resid 60 and name HG
  )
       ( resid 60 and name HN
  ) 5.2 3.4 0.8 volume=0.053 peak=557 ppm1=1.411 ppm2=8.331

assign ( resid 74 and name HB1
  or resid 74 and name HB2
  )
       ( resid 74 and name HN
  ) 4.7 2.9 0.9 volume=0.096 peak=561 ppm1=2.822 ppm2=7.723

assign ( resid 78 and name HD2
  )
       ( resid 75 and name HD2#
  ) 5.3 3.5 0.7 volume=0.152 peak=138 ppm1=6.739 ppm2=0.798

assign ( resid 60 and name HN
  )
       ( resid 68 and name HG1
  or resid 68 and name HG2
  ) 3.9 2.1 0.8 volume=0.292 peak=239 ppm1=8.314 ppm2=2.036

assign ( resid 81 and name HN
  )
       ( resid 81 and name HG2#
  ) 4.0 2.2 0.8 volume=0.808 peak=398 ppm1=7.759 ppm2=0.434

assign ( resid 79 and name HG
  )
       ( resid 78 and name HD2
  ) 4.4 2.6 0.9 volume=0.152 peak=647 ppm1=1.076 ppm2=6.703

assign ( resid 68 and name HG1
  or resid 68 and name HG2
  )
       ( resid 61 and name HE1
  or resid 61 and name HE2
  ) 4.8 3.0 1.0 volume=0.084 peak=740 ppm1=2.033 ppm2=2.796

assign ( resid 78 and name HB1
  )
       ( resid 78 and name HB2
  ) 4.0 2.2 0.8 volume=0.255 peak=704 ppm1=2.639 ppm2=2.923

assign ( resid 78 and name HD2
  )
       ( resid 78 and name HB1
  ) 4.5 2.7 0.9 volume=0.137 peak=48 ppm1=6.728 ppm2=2.630

assign ( resid 64 and name HB1
  )
       ( resid 65 and name HN
  ) 6.0 4.2 0.0 volume=0.021 peak=533 ppm1=1.010 ppm2=8.118

assign ( resid 63 and name HN
  )
       ( resid 63 and name HD1
  or resid 63 and name HD2
  ) 5.7 3.9 0.3 volume=0.033 peak=341 ppm1=9.218 ppm2=3.103

assign ( resid 69 and name HN
  )
       ( resid 68 and name HG1
  or resid 68 and name HG2
  ) 3.9 2.1 0.8 volume=0.322 peak=365 ppm1=8.309 ppm2=2.032

assign ( resid 76 and name HN
  )
       ( resid 78 and name HN
  ) 3.7 1.9 0.7 volume=0.427 peak=382 ppm1=8.253 ppm2=7.291

assign ( resid 60 and name HA
  )
       ( resid 61 and name HN
  ) 5.8 4.0 0.2 volume=0.027 peak=491 ppm1=4.307 ppm2=7.583

assign ( resid 76 and name HN
  )
       ( resid 77 and name HN
  ) 3.5 1.7 0.7 volume=0.635 peak=420 ppm1=8.252 ppm2=7.450

assign ( resid 80 and name HB2
  or resid 80 and name HB1
  )
       ( resid 80 and name HN
  ) 4.4 2.6 0.9 volume=0.152 peak=870 ppm1=1.683 ppm2=6.951

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 75 and name HN
  ) 5.2 3.4 0.8 volume=0.112 peak=135 ppm1=7.050 ppm2=7.357

assign ( resid 68 and name HN
  )
       ( resid 67 and name HB1
  ) 3.5 1.7 0.7 volume=0.589 peak=322 ppm1=7.915 ppm2=1.109

assign ( resid 60 and name HD2#
  )
       ( resid 60 and name HG
  ) 4.5 2.7 0.9 volume=0.366 peak=798 ppm1=0.595 ppm2=1.430

assign ( resid 64 and name HN
  )
       ( resid 64 and name HB1
  ) 3.1 1.3 0.6 volume=1.102 peak=342 ppm1=8.668 ppm2=1.015

assign ( resid 85 and name HA
  )
       ( resid 86 and name HN
  ) 3.9 2.1 0.8 volume=0.321 peak=816 ppm1=4.071 ppm2=8.081

assign ( resid 81 and name HB
  )
       ( resid 81 and name HG2#
  ) 3.8 2.0 0.8 volume=1.141 peak=744 ppm1=1.532 ppm2=0.454

assign ( resid 65 and name HN
  )
       ( resid 65 and name HA
  ) 3.3 1.5 0.7 volume=0.855 peak=305 ppm1=8.114 ppm2=5.013

assign ( resid 62 and name HN
  )
       ( resid 61 and name HG2
  or resid 61 and name HG1
  ) 4.1 2.3 0.8 volume=0.219 peak=227 ppm1=9.004 ppm2=1.001

assign ( resid 79 and name HN
  )
       ( resid 76 and name HE1
  or resid 76 and name HE2
  ) 3.7 1.9 0.7 volume=0.433 peak=387 ppm1=8.095 ppm2=2.783

assign ( resid 77 and name HG1
  or resid 77 and name HG2
  )
       ( resid 77 and name HD2
  or resid 77 and name HD1
  ) 3.7 1.9 0.7 volume=0.433 peak=875 ppm1=1.440 ppm2=3.066

assign ( resid 58 and name HA2
  )
       ( resid 58 and name HA1
  ) 3.9 2.1 0.8 volume=0.292 peak=625 ppm1=3.995 ppm2=3.911

assign ( resid 75 and name HD1#
  )
       ( resid 75 and name HN
  ) 6.0 4.2 0.0 volume=0.067 peak=794 ppm1=0.693 ppm2=7.332

assign ( resid 80 and name HB2
  or resid 80 and name HB1
  )
       ( resid 81 and name HN
  ) 4.3 2.5 0.9 volume=0.177 peak=511 ppm1=1.659 ppm2=7.757

assign ( resid 67 and name HA
  )
       ( resid 67 and name HN
  ) 3.9 2.1 0.8 volume=0.311 peak=748 ppm1=3.824 ppm2=7.686

assign ( resid 85 and name HG2
  or resid 85 and name HG1
  )
       ( resid 85 and name HN
  ) 5.0 3.2 1.0 volume=0.067 peak=513 ppm1=2.133 ppm2=7.882

assign ( resid 62 and name HB1
  )
       ( resid 67 and name HB1
  ) 5.1 3.3 0.9 volume=0.061 peak=676 ppm1=2.717 ppm2=1.026

assign ( resid 75 and name HN
  )
       ( resid 77 and name HN
  ) 5.6 3.8 0.4 volume=0.034 peak=310 ppm1=7.330 ppm2=7.455

assign ( resid 63 and name HN
  )
       ( resid 62 and name HN
  ) 4.8 3.0 1.0 volume=0.088 peak=232 ppm1=9.213 ppm2=9.044

assign ( resid 74 and name HN
  )
       ( resid 74 and name HA
  ) 3.5 1.7 0.7 volume=0.621 peak=431 ppm1=7.742 ppm2=4.381

assign ( resid 63 and name HA
  )
       ( resid 63 and name HD1
  or resid 63 and name HD2
  ) 4.4 2.6 0.9 volume=0.147 peak=804 ppm1=3.987 ppm2=3.058

assign ( resid 75 and name HB2
  )
       ( resid 75 and name HD1#
  ) 5.0 3.2 1.0 volume=0.203 peak=733 ppm1=1.839 ppm2=0.703

assign ( resid 60 and name HD1#
  )
       ( resid 75 and name HB1
  ) 5.3 3.5 0.7 volume=0.144 peak=697 ppm1=0.576 ppm2=1.078

assign ( resid 82 and name HN
  )
       ( resid 81 and name HG12
  or resid 81 and name HG11
  ) 4.1 2.3 0.8 volume=0.226 peak=224 ppm1=6.954 ppm2=0.775

assign ( resid 66 and name HN
  )
       ( resid 67 and name HA
  ) 4.3 2.5 0.9 volume=0.164 peak=414 ppm1=7.978 ppm2=3.775

assign ( resid 64 and name HN
  )
       ( resid 62 and name HB1
  ) 4.2 2.4 0.8 volume=0.201 peak=204 ppm1=8.673 ppm2=2.721

assign ( resid 67 and name HB2
  )
       ( resid 67 and name HB1
  ) 3.6 1.8 0.7 volume=0.463 peak=570 ppm1=1.321 ppm2=1.078

assign ( resid 77 and name HB2
  or resid 77 and name HB1
  )
       ( resid 78 and name HN
  ) 4.3 2.5 0.9 volume=0.178 peak=524 ppm1=1.696 ppm2=7.324

assign ( resid 69 and name HN
  )
       ( resid 60 and name HA
  ) 3.2 1.4 0.6 volume=1.030 peak=276 ppm1=8.306 ppm2=4.302

assign ( resid 85 and name HN
  )
       ( resid 85 and name HA
  ) 3.5 1.7 0.7 volume=0.562 peak=292 ppm1=7.877 ppm2=4.074

assign ( resid 81 and name HN
  )
       ( resid 78 and name HA
  ) 4.3 2.5 0.9 volume=0.179 peak=436 ppm1=7.758 ppm2=4.029

assign ( resid 68 and name HN
  )
       ( resid 68 and name HA
  ) 3.4 1.6 0.7 volume=0.759 peak=438 ppm1=7.913 ppm2=4.662

assign ( resid 79 and name HA
  )
       ( resid 82 and name HB1
  ) 6.0 4.2 0.0 volume=0.014 peak=718 ppm1=3.621 ppm2=2.947

assign ( resid 63 and name HG2
  or resid 63 and name HG1
  )
       ( resid 63 and name HN
  ) 6.0 4.2 0.0 volume=0.018 peak=649 ppm1=1.572 ppm2=9.253

assign ( resid 67 and name HA
  )
       ( resid 67 and name HE2
  ) 5.2 3.4 0.8 volume=0.057 peak=827 ppm1=3.833 ppm2=2.787

assign ( resid 80 and name HN
  )
       ( resid 79 and name HB1
  ) 3.1 1.3 0.6 volume=1.107 peak=317 ppm1=6.951 ppm2=1.751

assign ( resid 75 and name HD2#
  )
       ( resid 75 and name HG
  ) 4.1 2.3 0.8 volume=0.686 peak=831 ppm1=0.785 ppm2=1.343

assign ( resid 78 and name HN
  )
       ( resid 77 and name HG1
  or resid 77 and name HG2
  ) 3.9 2.1 0.8 volume=0.316 peak=278 ppm1=7.305 ppm2=1.428

assign ( resid 80 and name HA
  )
       ( resid 80 and name HB2
  or resid 80 and name HB1
  ) 3.2 1.4 0.6 volume=0.983 peak=848 ppm1=3.931 ppm2=1.690

assign ( resid 64 and name HB2
  )
       ( resid 65 and name HN
  ) 5.3 3.5 0.7 volume=0.047 peak=811 ppm1=1.189 ppm2=8.121

assign ( resid 75 and name HD1#
  )
       ( resid 60 and name HB2
  ) 4.4 2.6 0.9 volume=0.420 peak=668 ppm1=0.678 ppm2=1.448

assign ( resid 60 and name HB1
  )
       ( resid 60 and name HB2
  ) 3.7 1.9 0.7 volume=0.405 peak=601 ppm1=1.593 ppm2=1.429

assign ( resid 78 and name HN
  )
       ( resid 77 and name HA
  ) 3.7 1.9 0.7 volume=0.453 peak=261 ppm1=7.299 ppm2=3.801

assign ( resid 75 and name HB1
  )
       ( resid 75 and name HG
  ) 4.4 2.6 0.9 volume=0.144 peak=505 ppm1=1.021 ppm2=1.341

assign ( resid 78 and name HN
  )
       ( resid 75 and name HD1#
  ) 4.6 2.8 0.9 volume=0.331 peak=222 ppm1=7.296 ppm2=0.683

assign ( resid 62 and name HB2
  )
       ( resid 67 and name HN
  ) 4.9 3.1 1.0 volume=0.075 peak=904 ppm1=3.192 ppm2=7.704

assign ( resid 62 and name HB2
  )
       ( resid 65 and name HN
  ) 5.1 3.3 0.9 volume=0.058 peak=759 ppm1=3.191 ppm2=8.088

assign ( resid 74 and name HB1
  or resid 74 and name HB2
  )
       ( resid 77 and name HB2
  or resid 77 and name HB1
  ) 4.8 3.0 1.0 volume=0.086 peak=615 ppm1=2.817 ppm2=1.668

assign ( resid 79 and name HB2
  )
       ( resid 79 and name HG
  ) 4.6 2.8 0.9 volume=0.119 peak=586 ppm1=1.403 ppm2=1.091

assign ( resid 67 and name HB2
  )
       ( resid 67 and name HN
  ) 4.6 2.8 0.9 volume=0.109 peak=552 ppm1=1.317 ppm2=7.680

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 75 and name HA
  ) 4.5 2.7 0.9 volume=0.261 peak=191 ppm1=7.042 ppm2=2.952

assign ( resid 63 and name HB2
  or resid 63 and name HB1
  )
       ( resid 63 and name HN
  ) 5.3 3.5 0.7 volume=0.050 peak=776 ppm1=1.784 ppm2=9.220

assign ( resid 74 and name HA
  )
       ( resid 74 and name HB1
  or resid 74 and name HB2
  ) 4.9 3.1 1.0 volume=0.078 peak=756 ppm1=4.399 ppm2=2.803

assign ( resid 75 and name HD2#
  )
       ( resid 69 and name HN
  ) 5.9 4.1 0.1 volume=0.073 peak=709 ppm1=0.781 ppm2=8.292

assign ( resid 74 and name HB1
  or resid 74 and name HB2
  )
       ( resid 75 and name HN
  ) 4.9 3.1 1.0 volume=0.076 peak=606 ppm1=2.817 ppm2=7.367

assign ( resid 80 and name HB2
  or resid 80 and name HB1
  )
       ( resid 80 and name HD2
  or resid 80 and name HD1
  ) 3.5 1.7 0.7 volume=0.575 peak=764 ppm1=1.674 ppm2=3.043

assign ( resid 80 and name HG1
  or resid 80 and name HG2
  )
       ( resid 81 and name HN
  ) 5.5 3.7 0.5 volume=0.037 peak=488 ppm1=1.535 ppm2=7.754

assign ( resid 68 and name HN
  )
       ( resid 61 and name HD1
  or resid 61 and name HD2
  ) 3.9 2.1 0.8 volume=0.310 peak=426 ppm1=7.910 ppm2=1.424

assign ( resid 60 and name HG
  )
       ( resid 60 and name HB1
  ) 3.0 1.2 0.6 volume=1.513 peak=492 ppm1=1.416 ppm2=1.623

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 75 and name HB1
  ) 4.4 2.6 0.9 volume=0.300 peak=148 ppm1=7.042 ppm2=1.027

assign ( resid 67 and name HN
  )
       ( resid 66 and name HN
  ) 3.4 1.6 0.7 volume=0.649 peak=327 ppm1=7.697 ppm2=7.988

assign ( resid 77 and name HA
  )
       ( resid 80 and name HB2
  or resid 80 and name HB1
  ) 3.0 1.2 0.6 volume=1.395 peak=522 ppm1=3.801 ppm2=1.669

assign ( resid 78 and name HD2
  )
       ( resid 79 and name HN
  ) 5.0 3.2 1.0 volume=0.070 peak=7 ppm1=6.739 ppm2=8.104

assign ( resid 79 and name HB2
  )
       ( resid 79 and name HN
  ) 4.9 3.1 1.0 volume=0.080 peak=857 ppm1=1.407 ppm2=8.096

assign ( resid 59 and name HD1
  or resid 59 and name HD2
  )
       ( resid 59 and name HG1
  or resid 59 and name HG2
  ) 3.6 1.8 0.7 volume=0.501 peak=547 ppm1=3.482 ppm2=1.850

assign ( resid 77 and name HN
  )
       ( resid 77 and name HB2
  or resid 77 and name HB1
  ) 2.6 0.8 0.5 volume=3.454 peak=346 ppm1=7.450 ppm2=1.694

assign ( resid 67 and name HA
  )
       ( resid 68 and name HN
  ) 3.5 1.7 0.7 volume=0.538 peak=909 ppm1=3.835 ppm2=7.908

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 69 and name HB1
  ) 4.0 2.2 0.8 volume=0.549 peak=96 ppm1=7.042 ppm2=3.107

assign ( resid 60 and name HD2#
  )
       ( resid 60 and name HB1
  ) 4.6 2.8 0.9 volume=0.321 peak=541 ppm1=0.592 ppm2=1.573

assign ( resid 65 and name HN
  )
       ( resid 67 and name HN
  ) 4.1 2.3 0.8 volume=0.213 peak=350 ppm1=8.116 ppm2=7.700

assign ( resid 65 and name HN
  )
       ( resid 64 and name HB1
  ) 3.4 1.6 0.7 volume=0.759 peak=391 ppm1=8.117 ppm2=1.002

assign ( resid 64 and name HG1
  or resid 64 and name HG2
  )
       ( resid 64 and name HN
  ) 4.8 3.0 1.0 volume=0.087 peak=684 ppm1=1.676 ppm2=8.677

assign ( resid 69 and name HN
  )
       ( resid 68 and name HB2
  ) 3.6 1.8 0.7 volume=0.494 peak=293 ppm1=8.311 ppm2=1.734

assign ( resid 85 and name HG2
  or resid 85 and name HG1
  )
       ( resid 85 and name HB2
  or resid 85 and name HB1
  ) 3.4 1.6 0.7 volume=0.660 peak=644 ppm1=2.133 ppm2=1.835

assign ( resid 77 and name HA
  )
       ( resid 80 and name HN
  ) 5.1 3.3 0.9 volume=0.061 peak=692 ppm1=3.799 ppm2=6.951

assign ( resid 82 and name HE1
  )
       ( resid 64 and name HG1
  or resid 64 and name HG2
  ) 4.5 2.7 0.9 volume=0.126 peak=160 ppm1=7.872 ppm2=1.659

assign ( resid 78 and name HB1
  )
       ( resid 78 and name HN
  ) 4.3 2.5 0.9 volume=0.159 peak=594 ppm1=2.639 ppm2=7.310

assign ( resid 75 and name HD1#
  )
       ( resid 62 and name HN
  ) 6.0 4.2 0.0 volume=0.053 peak=526 ppm1=0.694 ppm2=8.994

assign ( resid 61 and name HN
  )
       ( resid 60 and name HN
  ) 4.3 2.5 0.9 volume=0.159 peak=362 ppm1=7.586 ppm2=8.276

assign ( resid 66 and name HN
  )
       ( resid 65 and name HA
  ) 4.0 2.2 0.8 volume=0.244 peak=375 ppm1=7.986 ppm2=5.010

assign ( resid 85 and name HB1
  )
       ( resid 85 and name HN
  ) 4.6 2.8 0.9 volume=0.114 peak=862 ppm1=1.866 ppm2=7.866

assign ( resid 65 and name HA
  )
       ( resid 65 and name HB2
  ) 4.0 2.2 0.8 volume=0.247 peak=752 ppm1=5.029 ppm2=2.716

assign ( resid 77 and name HN
  )
       ( resid 77 and name HA
  ) 3.0 1.2 0.6 volume=1.337 peak=315 ppm1=7.448 ppm2=3.791

assign ( resid 84 and name HN
  )
       ( resid 83 and name HB2
  or resid 83 and name HB1
  ) 3.5 1.7 0.7 volume=0.623 peak=237 ppm1=8.060 ppm2=3.770

assign ( resid 82 and name HE1
  )
       ( resid 65 and name HB2
  ) 3.7 1.9 0.7 volume=0.394 peak=119 ppm1=7.898 ppm2=2.732

assign ( resid 62 and name HB2
  )
       ( resid 62 and name HN
  ) 5.2 3.4 0.8 volume=0.056 peak=762 ppm1=3.181 ppm2=8.968

assign ( resid 69 and name HZ
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 4.3 2.5 0.9 volume=0.361 peak=139 ppm1=5.878 ppm2=7.042

assign ( resid 86 and name HN
  )
       ( resid 85 and name HA
  ) 3.1 1.3 0.6 volume=1.108 peak=194 ppm1=8.077 ppm2=4.064

assign ( resid 67 and name HN
  )
       ( resid 66 and name HA2
  ) 3.8 2.0 0.8 volume=0.336 peak=472 ppm1=7.694 ppm2=3.619

assign ( resid 61 and name HE1
  or resid 61 and name HE2
  )
       ( resid 61 and name HD1
  or resid 61 and name HD2
  ) 2.9 1.1 0.6 volume=1.806 peak=891 ppm1=2.773 ppm2=1.430

assign ( resid 65 and name HN
  )
       ( resid 65 and name HB1
  ) 3.5 1.7 0.7 volume=0.614 peak=333 ppm1=8.118 ppm2=3.304

assign ( resid 66 and name HN
  )
       ( resid 62 and name HB1
  ) 3.7 1.9 0.7 volume=0.447 peak=460 ppm1=7.985 ppm2=2.714

assign ( resid 65 and name HB2
  )
       ( resid 65 and name HN
  ) 5.2 3.4 0.8 volume=0.057 peak=490 ppm1=2.735 ppm2=8.115

assign ( resid 71 and name HN
  )
       ( resid 69 and name HB2
  ) 3.9 2.1 0.8 volume=0.285 peak=383 ppm1=7.144 ppm2=2.514

assign ( resid 84 and name HN
  )
       ( resid 83 and name HA
  ) 4.4 2.6 0.9 volume=0.143 peak=439 ppm1=8.059 ppm2=4.268

assign ( resid 77 and name HD2
  or resid 77 and name HD1
  )
       ( resid 77 and name HA
  ) 4.2 2.4 0.8 volume=0.209 peak=723 ppm1=3.048 ppm2=3.800

assign ( resid 82 and name HN
  )
       ( resid 81 and name HA
  ) 3.7 1.9 0.7 volume=0.395 peak=199 ppm1=6.974 ppm2=3.792

assign ( resid 65 and name HN
  )
       ( resid 64 and name HN
  ) 3.2 1.4 0.6 volume=1.055 peak=282 ppm1=8.112 ppm2=8.672

assign ( resid 69 and name HB1
  )
       ( resid 75 and name HD2#
  ) 6.0 4.2 0.0 volume=0.066 peak=836 ppm1=3.120 ppm2=0.780

assign ( resid 62 and name HN
  )
       ( resid 65 and name HB2
  ) 3.7 1.9 0.7 volume=0.448 peak=283 ppm1=9.006 ppm2=2.705

assign ( resid 76 and name HA
  )
       ( resid 79 and name HB2
  ) 4.0 2.2 0.8 volume=0.267 peak=609 ppm1=3.653 ppm2=1.427

assign ( resid 75 and name HD2#
  )
       ( resid 75 and name HB1
  ) 4.4 2.6 0.9 volume=0.458 peak=844 ppm1=0.788 ppm2=1.072

assign ( resid 75 and name HG
  )
       ( resid 62 and name HB1
  ) 6.0 4.2 0.0 volume=0.019 peak=778 ppm1=1.348 ppm2=2.727

assign ( resid 77 and name HD2
  or resid 77 and name HD1
  )
       ( resid 77 and name HG1
  or resid 77 and name HG2
  ) 3.1 1.3 0.6 volume=1.114 peak=672 ppm1=3.045 ppm2=1.473

assign ( resid 86 and name HA
  )
       ( resid 86 and name HD2
  or resid 86 and name HD1
  ) 5.7 3.9 0.3 volume=0.031 peak=548 ppm1=4.390 ppm2=1.178

assign ( resid 82 and name HD2
  )
       ( resid 64 and name HG1
  or resid 64 and name HG2
  ) 4.5 2.7 0.9 volume=0.137 peak=65 ppm1=6.512 ppm2=1.692

assign ( resid 66 and name HA2
  )
       ( resid 66 and name HN
  ) 4.1 2.3 0.8 volume=0.219 peak=537 ppm1=3.623 ppm2=7.957

assign ( resid 59 and name HD1
  or resid 59 and name HD2
  )
       ( resid 58 and name HA1
  ) 4.2 2.4 0.8 volume=0.195 peak=506 ppm1=3.488 ppm2=3.870

assign ( resid 83 and name HN
  )
       ( resid 83 and name HA
  ) 4.5 2.7 0.9 volume=0.125 peak=303 ppm1=7.573 ppm2=4.239

assign ( resid 68 and name HB2
  )
       ( resid 68 and name HB1
  ) 2.8 1.0 0.6 volume=2.147 peak=559 ppm1=1.739 ppm2=1.605

assign ( resid 63 and name HN
  )
       ( resid 62 and name HA
  ) 3.4 1.6 0.7 volume=0.639 peak=255 ppm1=9.210 ppm2=4.332

assign ( resid 64 and name HB1
  )
       ( resid 64 and name HB2
  ) 4.4 2.6 0.9 volume=0.154 peak=728 ppm1=1.006 ppm2=1.194

assign ( resid 60 and name HG
  )
       ( resid 75 and name HB1
  ) 4.9 3.1 1.0 volume=0.076 peak=691 ppm1=1.412 ppm2=1.080

assign ( resid 71 and name HN
  )
       ( resid 60 and name HD1#
  ) 4.5 2.7 0.9 volume=0.370 peak=209 ppm1=7.138 ppm2=0.581

assign ( resid 83 and name HN
  )
       ( resid 83 and name HB2
  or resid 83 and name HB1
  ) 3.7 1.9 0.7 volume=0.432 peak=287 ppm1=7.584 ppm2=3.769

assign ( resid 60 and name HN
  )
       ( resid 60 and name HG
  ) 3.4 1.6 0.7 volume=0.639 peak=408 ppm1=8.319 ppm2=1.426

assign ( resid 75 and name HD1#
  )
       ( resid 75 and name HD2#
  ) 4.3 2.5 0.9 volume=1.460 peak=783 ppm1=0.692 ppm2=0.802

assign ( resid 76 and name HA
  )
       ( resid 76 and name HG2
  or resid 76 and name HG1
  ) 4.2 2.4 0.8 volume=0.192 peak=479 ppm1=3.649 ppm2=1.229

assign ( resid 80 and name HB2
  or resid 80 and name HB1
  )
       ( resid 80 and name HG1
  or resid 80 and name HG2
  ) 2.6 0.8 0.5 volume=3.351 peak=663 ppm1=1.674 ppm2=1.554

assign ( resid 65 and name HB2
  )
       ( resid 65 and name HA
  ) 4.8 3.0 1.0 volume=0.089 peak=643 ppm1=2.728 ppm2=5.043

assign ( resid 71 and name HN
  )
       ( resid 69 and name HB1
  ) 3.7 1.9 0.7 volume=0.453 peak=270 ppm1=7.141 ppm2=3.123

assign ( resid 61 and name HA
  )
       ( resid 68 and name HG1
  or resid 68 and name HG2
  ) 5.9 4.1 0.1 volume=0.026 peak=507 ppm1=4.910 ppm2=2.057

assign ( resid 62 and name HB1
  )
       ( resid 78 and name HD2
  ) 4.2 2.4 0.8 volume=0.185 peak=771 ppm1=2.716 ppm2=6.687

assign ( resid 60 and name HA
  )
       ( resid 60 and name HB1
  ) 6.0 4.2 0.0 volume=0.010 peak=493 ppm1=4.316 ppm2=1.615

assign ( resid 77 and name HA
  )
       ( resid 78 and name HN
  ) 5.0 3.2 1.0 volume=0.071 peak=832 ppm1=3.794 ppm2=7.304

assign ( resid 82 and name HN
  )
       ( resid 81 and name HN
  ) 3.5 1.7 0.7 volume=0.600 peak=332 ppm1=6.981 ppm2=7.760

assign ( resid 75 and name HN
  )
       ( resid 75 and name HG
  ) 3.8 2.0 0.8 volume=0.332 peak=253 ppm1=7.340 ppm2=1.346

assign ( resid 79 and name HN
  )
       ( resid 78 and name HN
  ) 3.4 1.6 0.7 volume=0.742 peak=453 ppm1=8.079 ppm2=7.303

assign ( resid 69 and name HN
  )
       ( resid 60 and name HN
  ) 2.4 0.6 0.5 volume=5.177 peak=225 ppm1=8.306 ppm2=8.316

assign ( resid 75 and name HB2
  )
       ( resid 72 and name HA
  ) 5.2 3.4 0.8 volume=0.053 peak=788 ppm1=1.830 ppm2=3.894

assign ( resid 75 and name HA
  )
       ( resid 76 and name HN
  ) 5.7 3.9 0.3 volume=0.031 peak=680 ppm1=2.944 ppm2=8.295

assign ( resid 59 and name HD1
  or resid 59 and name HD2
  )
       ( resid 60 and name HN
  ) 6.0 4.2 0.0 volume=0.014 peak=580 ppm1=3.458 ppm2=8.357

assign ( resid 80 and name HA
  )
       ( resid 81 and name HN
  ) 3.6 1.8 0.7 volume=0.504 peak=546 ppm1=3.931 ppm2=7.777

assign ( resid 68 and name HE21
  )
       ( resid 68 and name HG1
  or resid 68 and name HG2
  ) 3.8 2.0 0.8 volume=0.362 peak=355 ppm1=6.724 ppm2=2.028

assign ( resid 76 and name HE1
  or resid 76 and name HE2
  )
       ( resid 76 and name HG2
  or resid 76 and name HG1
  ) 3.1 1.3 0.6 volume=1.106 peak=477 ppm1=2.774 ppm2=1.261

assign ( resid 86 and name HA
  )
       ( resid 86 and name HG1
  or resid 86 and name HG2
  ) 5.2 3.4 0.8 volume=0.052 peak=648 ppm1=4.400 ppm2=1.074

assign ( resid 76 and name HN
  )
       ( resid 75 and name HD2#
  ) 4.6 2.8 0.9 volume=0.349 peak=238 ppm1=8.252 ppm2=0.804

assign ( resid 82 and name HN
  )
       ( resid 82 and name HB1
  ) 3.6 1.8 0.7 volume=0.464 peak=443 ppm1=6.968 ppm2=2.936

assign ( resid 84 and name HN
  )
       ( resid 84 and name HA1
  or resid 84 and name HA2
  ) 3.4 1.6 0.7 volume=0.637 peak=357 ppm1=8.057 ppm2=3.795

assign ( resid 75 and name HD1#
  )
       ( resid 75 and name HG
  ) 4.3 2.5 0.9 volume=0.494 peak=739 ppm1=0.692 ppm2=1.352

assign ( resid 86 and name HN
  )
       ( resid 86 and name HG1
  or resid 86 and name HG2
  ) 4.2 2.4 0.8 volume=0.206 peak=299 ppm1=8.084 ppm2=1.060

assign ( resid 60 and name HG
  )
       ( resid 75 and name HD2#
  ) 4.7 2.9 0.9 volume=0.304 peak=532 ppm1=1.412 ppm2=0.759

assign ( resid 71 and name HN
  )
       ( resid 71 and name HB
  ) 3.9 2.1 0.8 volume=0.297 peak=340 ppm1=7.150 ppm2=4.423

assign ( resid 67 and name HN
  )
       ( resid 67 and name HB2
  ) 3.0 1.2 0.6 volume=1.407 peak=381 ppm1=7.698 ppm2=1.314

assign ( resid 66 and name HA1
  )
       ( resid 67 and name HN
  ) 5.5 3.7 0.5 volume=0.041 peak=869 ppm1=4.081 ppm2=7.709

assign ( resid 74 and name HB1
  or resid 74 and name HB2
  )
       ( resid 74 and name HA
  ) 5.4 3.6 0.6 volume=0.041 peak=653 ppm1=2.828 ppm2=4.400

assign ( resid 78 and name HB2
  )
       ( resid 78 and name HB1
  ) 3.9 2.1 0.8 volume=0.305 peak=630 ppm1=2.922 ppm2=2.639

assign ( resid 60 and name HD1#
  )
       ( resid 72 and name HB1
  or resid 72 and name HB2
  ) 5.8 4.0 0.2 volume=0.082 peak=517 ppm1=0.559 ppm2=3.797

assign ( resid 76 and name HN
  )
       ( resid 75 and name HB2
  ) 3.4 1.6 0.7 volume=0.671 peak=334 ppm1=8.249 ppm2=1.843

assign ( resid 85 and name HA
  )
       ( resid 85 and name HN
  ) 4.6 2.8 0.9 volume=0.107 peak=815 ppm1=4.068 ppm2=7.878

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 75 and name HB2
  ) 5.1 3.3 0.9 volume=0.116 peak=27 ppm1=7.042 ppm2=1.845

assign ( resid 78 and name HB1
  )
       ( resid 79 and name HN
  ) 5.9 4.1 0.1 volume=0.026 peak=571 ppm1=2.629 ppm2=8.073

assign ( resid 61 and name HB2
  or resid 61 and name HB1
  )
       ( resid 61 and name HA
  ) 6.0 4.2 0.0 volume=0.014 peak=681 ppm1=1.460 ppm2=4.905

assign ( resid 67 and name HB2
  )
       ( resid 67 and name HG2
  or resid 67 and name HG1
  ) 4.6 2.8 0.9 volume=0.119 peak=502 ppm1=1.321 ppm2=0.915

assign ( resid 84 and name HN
  )
       ( resid 83 and name HN
  ) 5.2 3.4 0.8 volume=0.054 peak=384 ppm1=8.057 ppm2=7.580

assign ( resid 67 and name HD1
  or resid 67 and name HD2
  )
       ( resid 67 and name HA
  ) 4.3 2.5 0.9 volume=0.181 peak=657 ppm1=1.324 ppm2=3.810

assign ( resid 79 and name HB1
  )
       ( resid 79 and name HA
  ) 4.5 2.7 0.9 volume=0.129 peak=833 ppm1=1.757 ppm2=3.644

assign ( resid 69 and name HB2
  )
       ( resid 75 and name HD2#
  ) 6.0 4.2 0.0 volume=0.030 peak=837 ppm1=2.538 ppm2=0.798

assign ( resid 76 and name HN
  )
       ( resid 72 and name HA
  ) 4.0 2.2 0.8 volume=0.274 peak=364 ppm1=8.249 ppm2=3.883

assign ( resid 75 and name HD1#
  )
       ( resid 62 and name HB2
  ) 5.6 3.8 0.4 volume=0.101 peak=655 ppm1=0.694 ppm2=3.158

assign ( resid 76 and name HA
  )
       ( resid 76 and name HD1
  or resid 76 and name HD2
  ) 4.0 2.2 0.8 volume=0.244 peak=576 ppm1=3.653 ppm2=1.469

assign ( resid 78 and name HN
  )
       ( resid 76 and name HA
  ) 3.9 2.1 0.8 volume=0.288 peak=430 ppm1=7.299 ppm2=3.638

assign ( resid 60 and name HN
  )
       ( resid 58 and name HA2
  ) 4.4 2.6 0.9 volume=0.157 peak=256 ppm1=8.302 ppm2=3.971

assign ( resid 76 and name HG2
  or resid 76 and name HG1
  )
       ( resid 75 and name HD1#
  ) 6.0 4.2 0.0 volume=0.011 peak=628 ppm1=1.222 ppm2=0.665

assign ( resid 79 and name HG
  )
       ( resid 79 and name HB2
  ) 3.2 1.4 0.6 volume=1.042 peak=554 ppm1=1.073 ppm2=1.395

assign ( resid 80 and name HN
  )
       ( resid 79 and name HG
  ) 4.3 2.5 0.9 volume=0.181 peak=413 ppm1=6.954 ppm2=1.061

assign ( resid 83 and name HN
  )
       ( resid 81 and name HA
  ) 3.7 1.9 0.7 volume=0.432 peak=304 ppm1=7.586 ppm2=3.787

assign ( resid 68 and name HG1
  or resid 68 and name HG2
  )
       ( resid 68 and name HE21
  ) 5.0 3.2 1.0 volume=0.070 peak=824 ppm1=2.031 ppm2=6.680

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 69 and name HB2
  ) 3.8 2.0 0.8 volume=0.720 peak=112 ppm1=7.043 ppm2=2.572

assign ( resid 78 and name HB2
  )
       ( resid 79 and name HN
  ) 5.3 3.5 0.7 volume=0.049 peak=765 ppm1=2.919 ppm2=8.085

assign ( resid 64 and name HN
  )
       ( resid 64 and name HA
  ) 3.1 1.3 0.6 volume=1.255 peak=275 ppm1=8.662 ppm2=4.051

assign ( resid 79 and name HN
  )
       ( resid 79 and name HB2
  ) 3.3 1.5 0.7 volume=0.794 peak=435 ppm1=8.082 ppm2=1.408

assign ( resid 75 and name HD1#
  )
       ( resid 79 and name HA
  ) 6.0 4.2 0.0 volume=0.054 peak=494 ppm1=0.692 ppm2=3.635

assign ( resid 82 and name HN
  )
       ( resid 82 and name HB2
  ) 4.0 2.2 0.8 volume=0.271 peak=467 ppm1=6.964 ppm2=3.189

assign ( resid 66 and name HN
  )
       ( resid 66 and name HA2
  ) 3.1 1.3 0.6 volume=1.311 peak=423 ppm1=7.986 ppm2=3.617

assign ( resid 81 and name HA
  )
       ( resid 81 and name HG2#
  ) 4.0 2.2 0.8 volume=0.763 peak=737 ppm1=3.800 ppm2=0.452

assign ( resid 79 and name HB1
  )
       ( resid 79 and name HB2
  ) 3.6 1.8 0.7 volume=0.516 peak=871 ppm1=1.745 ppm2=1.404

assign ( resid 75 and name HD2#
  )
       ( resid 62 and name HA
  ) 6.0 4.2 0.0 volume=0.046 peak=847 ppm1=0.787 ppm2=4.327

assign ( resid 60 and name HD2#
  )
       ( resid 60 and name HB2
  ) 4.5 2.7 0.9 volume=0.374 peak=810 ppm1=0.595 ppm2=1.411

assign ( resid 63 and name HG2
  or resid 63 and name HG1
  )
       ( resid 63 and name HA
  ) 4.3 2.5 0.9 volume=0.172 peak=635 ppm1=1.572 ppm2=3.966

assign ( resid 62 and name HN
  )
       ( resid 62 and name HB2
  ) 3.6 1.8 0.7 volume=0.534 peak=260 ppm1=9.006 ppm2=3.173

assign ( resid 79 and name HN
  )
       ( resid 79 and name HG
  ) 3.5 1.7 0.7 volume=0.561 peak=221 ppm1=8.083 ppm2=1.096

assign ( resid 63 and name HG2
  or resid 63 and name HG1
  )
       ( resid 63 and name HB2
  or resid 63 and name HB1
  ) 3.0 1.2 0.6 volume=1.612 peak=636 ppm1=1.564 ppm2=1.752

assign ( resid 67 and name HN
  )
       ( resid 67 and name HB1
  ) 3.5 1.7 0.7 volume=0.588 peak=405 ppm1=7.695 ppm2=1.103

assign ( resid 66 and name HA1
  )
       ( resid 66 and name HN
  ) 4.2 2.4 0.8 volume=0.199 peak=758 ppm1=4.063 ppm2=7.957

assign ( resid 78 and name HE1
  )
       ( resid 78 and name HD2
  ) 4.7 2.9 0.9 volume=0.100 peak=134 ppm1=7.904 ppm2=6.699

assign ( resid 60 and name HD2#
  )
       ( resid 60 and name HA
  ) 6.0 4.2 0.0 volume=0.037 peak=694 ppm1=0.595 ppm2=4.270

assign ( resid 76 and name HG2
  or resid 76 and name HG1
  )
       ( resid 76 and name HD1
  or resid 76 and name HD2
  ) 2.7 0.9 0.5 volume=2.505 peak=481 ppm1=1.224 ppm2=1.465

assign ( resid 67 and name HN
  )
       ( resid 62 and name HN
  ) 4.3 2.5 0.9 volume=0.171 peak=402 ppm1=7.689 ppm2=9.005

assign ( resid 63 and name HA
  )
       ( resid 63 and name HN
  ) 5.9 4.1 0.1 volume=0.025 peak=852 ppm1=3.974 ppm2=9.234

assign ( resid 86 and name HN
  )
       ( resid 86 and name HD2
  or resid 86 and name HD1
  ) 3.8 2.0 0.8 volume=0.334 peak=265 ppm1=8.082 ppm2=1.199

assign ( resid 68 and name HG1
  or resid 68 and name HG2
  )
       ( resid 69 and name HN
  ) 5.1 3.3 0.9 volume=0.060 peak=743 ppm1=2.026 ppm2=8.304

assign ( resid 74 and name HA
  )
       ( resid 78 and name HN
  ) 6.0 4.2 0.0 volume=0.011 peak=708 ppm1=4.400 ppm2=7.299

assign ( resid 75 and name HG
  )
       ( resid 60 and name HB1
  ) 3.4 1.6 0.7 volume=0.673 peak=882 ppm1=1.348 ppm2=1.643

assign ( resid 79 and name HA
  )
       ( resid 79 and name HG
  ) 4.1 2.3 0.8 volume=0.219 peak=605 ppm1=3.631 ppm2=1.074

assign ( resid 60 and name HN
  )
       ( resid 59 and name HG1
  or resid 59 and name HG2
  ) 3.9 2.1 0.8 volume=0.296 peak=464 ppm1=8.311 ppm2=1.839

assign ( resid 66 and name HN
  )
       ( resid 67 and name HD1
  or resid 67 and name HD2
  ) 4.3 2.5 0.9 volume=0.171 peak=386 ppm1=7.983 ppm2=1.312

assign ( resid 61 and name HA
  )
       ( resid 62 and name HN
  ) 5.7 3.9 0.3 volume=0.032 peak=621 ppm1=4.916 ppm2=9.023

assign ( resid 77 and name HA
  )
       ( resid 77 and name HN
  ) 4.2 2.4 0.8 volume=0.190 peak=656 ppm1=3.799 ppm2=7.458

assign ( resid 79 and name HA
  )
       ( resid 82 and name HD2
  ) 4.7 2.9 0.9 volume=0.100 peak=631 ppm1=3.633 ppm2=6.516

assign ( resid 60 and name HD2#
  )
       ( resid 72 and name HB1
  or resid 72 and name HB2
  ) 6.0 4.2 0.0 volume=0.050 peak=679 ppm1=0.597 ppm2=3.781

assign ( resid 62 and name HA
  )
       ( resid 63 and name HN
  ) 5.7 3.9 0.3 volume=0.033 peak=555 ppm1=4.348 ppm2=9.211

assign ( resid 69 and name HB2
  )
       ( resid 60 and name HB2
  ) 4.4 2.6 0.9 volume=0.145 peak=819 ppm1=2.535 ppm2=1.446

assign ( resid 70 and name HG2#
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 6.0 4.2 0.0 volume=0.079 peak=568 ppm1=1.097 ppm2=7.074

assign ( resid 78 and name HN
  )
       ( resid 77 and name HB2
  or resid 77 and name HB1
  ) 3.0 1.2 0.6 volume=1.582 peak=309 ppm1=7.302 ppm2=1.693

assign ( resid 75 and name HB1
  )
       ( resid 76 and name HN
  ) 5.4 3.6 0.6 volume=0.046 peak=735 ppm1=1.016 ppm2=8.261

assign ( resid 61 and name HN
  )
       ( resid 60 and name HA
  ) 3.8 2.0 0.8 volume=0.350 peak=385 ppm1=7.568 ppm2=4.301

assign ( resid 75 and name HN
  )
       ( resid 75 and name HA
  ) 3.5 1.7 0.7 volume=0.546 peak=441 ppm1=7.343 ppm2=2.915

assign ( resid 67 and name HB1
  )
       ( resid 67 and name HG2
  or resid 67 and name HG1
  ) 4.3 2.5 0.9 volume=0.181 peak=732 ppm1=1.108 ppm2=0.915

assign ( resid 75 and name HD2#
  )
       ( resid 75 and name HN
  ) 5.9 4.1 0.1 volume=0.077 peak=661 ppm1=0.783 ppm2=7.328

assign ( resid 78 and name HA
  )
       ( resid 80 and name HN
  ) 5.8 4.0 0.2 volume=0.029 peak=593 ppm1=4.029 ppm2=6.956

assign ( resid 81 and name HN
  )
       ( resid 80 and name HN
  ) 3.3 1.5 0.7 volume=0.886 peak=396 ppm1=7.759 ppm2=6.947

assign ( resid 65 and name HB1
  )
       ( resid 65 and name HN
  ) 5.0 3.2 1.0 volume=0.070 peak=785 ppm1=3.314 ppm2=8.096

assign ( resid 75 and name HB2
  )
       ( resid 76 and name HN
  ) 5.0 3.2 1.0 volume=0.069 peak=838 ppm1=1.826 ppm2=8.247

assign ( resid 65 and name HN
  )
       ( resid 64 and name HB2
  ) 3.6 1.8 0.7 volume=0.485 peak=374 ppm1=8.115 ppm2=1.186

assign ( resid 75 and name HA
  )
       ( resid 78 and name HB1
  ) 5.1 3.3 0.9 volume=0.060 peak=861 ppm1=2.946 ppm2=2.637

assign ( resid 62 and name HN
  )
       ( resid 62 and name HA
  ) 3.9 2.1 0.8 volume=0.285 peak=345 ppm1=9.006 ppm2=4.332

assign ( resid 69 and name HB1
  )
       ( resid 75 and name HB1
  ) 5.0 3.2 1.0 volume=0.070 peak=751 ppm1=3.138 ppm2=1.048

assign ( resid 59 and name HG1
  or resid 59 and name HG2
  )
       ( resid 59 and name HB2
  or resid 59 and name HB1
  ) 3.8 2.0 0.8 volume=0.365 peak=716 ppm1=1.813 ppm2=2.105

assign ( resid 75 and name HN
  )
       ( resid 74 and name HN
  ) 3.8 2.0 0.8 volume=0.357 peak=314 ppm1=7.342 ppm2=7.743

assign ( resid 66 and name HN
  )
       ( resid 66 and name HA1
  ) 3.1 1.3 0.6 volume=1.113 peak=236 ppm1=7.983 ppm2=4.066

assign ( resid 69 and name HB1
  )
       ( resid 60 and name HD2#
  ) 6.0 4.2 0.0 volume=0.047 peak=650 ppm1=3.120 ppm2=0.625

assign ( resid 60 and name HN
  )
       ( resid 59 and name HD1
  or resid 59 and name HD2
  ) 4.3 2.5 0.9 volume=0.178 peak=395 ppm1=8.320 ppm2=3.478

assign ( resid 67 and name HN
  )
       ( resid 68 and name HN
  ) 3.4 1.6 0.7 volume=0.680 peak=257 ppm1=7.697 ppm2=7.911

assign ( resid 69 and name HN
  )
       ( resid 70 and name HN
  ) 5.0 3.2 1.0 volume=0.065 peak=421 ppm1=8.304 ppm2=9.026

assign ( resid 78 and name HD2
  )
       ( resid 79 and name HB1
  ) 5.2 3.4 0.8 volume=0.052 peak=178 ppm1=6.720 ppm2=1.753

assign ( resid 81 and name HA
  )
       ( resid 81 and name HG12
  or resid 81 and name HG11
  ) 4.3 2.5 0.9 volume=0.175 peak=884 ppm1=3.800 ppm2=0.786

assign ( resid 76 and name HA
  )
       ( resid 76 and name HE1
  or resid 76 and name HE2
  ) 6.0 4.2 0.0 volume=0.012 peak=662 ppm1=3.650 ppm2=2.759

assign ( resid 80 and name HB2
  or resid 80 and name HB1
  )
       ( resid 77 and name HA
  ) 3.7 1.9 0.7 volume=0.442 peak=667 ppm1=1.686 ppm2=3.808

assign ( resid 80 and name HG1
  or resid 80 and name HG2
  )
       ( resid 80 and name HB2
  or resid 80 and name HB1
  ) 2.7 0.9 0.5 volume=2.546 peak=566 ppm1=1.521 ppm2=1.682

assign ( resid 81 and name HN
  )
       ( resid 80 and name HA
  ) 3.9 2.1 0.8 volume=0.288 peak=459 ppm1=7.759 ppm2=3.929

assign ( resid 79 and name HB2
  )
       ( resid 79 and name HA
  ) 4.7 2.9 0.9 volume=0.099 peak=665 ppm1=1.395 ppm2=3.628

assign ( resid 58 and name HA1
  )
       ( resid 58 and name HA2
  ) 3.9 2.1 0.8 volume=0.325 peak=793 ppm1=3.907 ppm2=3.995

assign ( resid 75 and name HA
  )
       ( resid 75 and name HD1#
  ) 4.7 2.9 0.9 volume=0.286 peak=722 ppm1=2.939 ppm2=0.709

assign ( resid 66 and name HA1
  )
       ( resid 61 and name HG2
  or resid 61 and name HG1
  ) 5.4 3.6 0.6 volume=0.045 peak=685 ppm1=4.070 ppm2=0.945

assign ( resid 79 and name HN
  )
       ( resid 78 and name HA
  ) 3.8 2.0 0.8 volume=0.377 peak=198 ppm1=8.087 ppm2=4.028

assign ( resid 71 and name HN
  )
       ( resid 71 and name HG2#
  ) 4.1 2.3 0.8 volume=0.700 peak=242 ppm1=7.142 ppm2=1.096

assign ( resid 60 and name HD1#
  )
       ( resid 75 and name HD1#
  ) 4.6 2.8 0.9 volume=1.041 peak=872 ppm1=0.566 ppm2=0.713

assign ( resid 68 and name HE21
  )
       ( resid 68 and name HE22
  ) 2.4 0.6 0.5 volume=5.716 peak=367 ppm1=6.725 ppm2=7.440

assign ( resid 76 and name HA
  )
       ( resid 79 and name HN
  ) 5.2 3.4 0.8 volume=0.057 peak=671 ppm1=3.654 ppm2=8.093

assign ( resid 78 and name HB1
  )
       ( resid 78 and name HD2
  ) 4.8 3.0 1.0 volume=0.085 peak=727 ppm1=2.665 ppm2=6.675

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 75 and name HD2#
  ) 4.9 3.1 1.0 volume=0.455 peak=147 ppm1=7.042 ppm2=0.791

assign ( resid 61 and name HN
  )
       ( resid 60 and name HB2
  ) 3.6 1.8 0.7 volume=0.511 peak=203 ppm1=7.572 ppm2=1.405

assign ( resid 76 and name HB2
  or resid 76 and name HB1
  )
       ( resid 76 and name HD1
  or resid 76 and name HD2
  ) 3.3 1.5 0.7 volume=0.891 peak=747 ppm1=1.722 ppm2=1.444

assign ( resid 68 and name HN
  )
       ( resid 68 and name HB1
  ) 3.2 1.4 0.6 volume=0.961 peak=247 ppm1=7.910 ppm2=1.611

assign ( resid 81 and name HN
  )
       ( resid 79 and name HA
  ) 4.1 2.3 0.8 volume=0.235 peak=407 ppm1=7.758 ppm2=3.642

assign ( resid 64 and name HA
  )
       ( resid 64 and name HB2
  ) 4.6 2.8 0.9 volume=0.117 peak=805 ppm1=4.070 ppm2=1.198

assign ( resid 82 and name HB2
  )
       ( resid 82 and name HD2
  ) 5.6 3.8 0.4 volume=0.035 peak=782 ppm1=3.204 ppm2=6.514

assign ( resid 76 and name HG2
  or resid 76 and name HG1
  )
       ( resid 76 and name HN
  ) 4.9 3.1 1.0 volume=0.074 peak=698 ppm1=1.224 ppm2=8.220

assign ( resid 75 and name HA
  )
       ( resid 75 and name HG
  ) 5.0 3.2 1.0 volume=0.066 peak=642 ppm1=2.939 ppm2=1.339

assign ( resid 82 and name HB1
  )
       ( resid 82 and name HN
  ) 5.1 3.3 0.9 volume=0.060 peak=573 ppm1=2.967 ppm2=6.988

assign ( resid 65 and name HB2
  )
       ( resid 65 and name HB1
  ) 3.6 1.8 0.7 volume=0.483 peak=760 ppm1=2.728 ppm2=3.312

assign ( resid 59 and name HD1
  or resid 59 and name HD2
  )
       ( resid 59 and name HB2
  or resid 59 and name HB1
  ) 4.8 3.0 1.0 volume=0.089 peak=767 ppm1=3.477 ppm2=2.085

assign ( resid 82 and name HD2
  )
       ( resid 82 and name HB1
  ) 4.6 2.8 0.9 volume=0.110 peak=159 ppm1=6.514 ppm2=2.938

assign ( resid 77 and name HN
  )
       ( resid 76 and name HN
  ) 3.4 1.6 0.7 volume=0.721 peak=331 ppm1=7.449 ppm2=8.248

assign ( resid 74 and name HN
  )
       ( resid 73 and name HN
  ) 4.7 2.9 0.9 volume=0.105 peak=252 ppm1=7.745 ppm2=8.647

assign ( resid 79 and name HN
  )
       ( resid 75 and name HD1#
  ) 4.7 2.9 0.9 volume=0.312 peak=452 ppm1=8.083 ppm2=0.722

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 75 and name HD1#
  ) 5.0 3.2 1.0 volume=0.400 peak=16 ppm1=7.042 ppm2=0.689

assign ( resid 67 and name HN
  )
       ( resid 62 and name HB1
  ) 3.7 1.9 0.7 volume=0.454 peak=325 ppm1=7.693 ppm2=2.726

assign ( resid 63 and name HA
  )
       ( resid 64 and name HN
  ) 5.3 3.5 0.7 volume=0.046 peak=675 ppm1=3.981 ppm2=8.673

assign ( resid 58 and name HA1
  )
       ( resid 58 and name HN
  ) 4.9 3.1 1.0 volume=0.080 peak=579 ppm1=3.909 ppm2=7.918

assign ( resid 75 and name HA
  )
       ( resid 75 and name HD2#
  ) 4.9 3.1 1.0 volume=0.225 peak=545 ppm1=2.939 ppm2=0.816

assign ( resid 63 and name HN
  )
       ( resid 62 and name HB2
  ) 4.6 2.8 0.9 volume=0.113 peak=474 ppm1=9.212 ppm2=3.204

assign ( resid 64 and name HG1
  or resid 64 and name HG2
  )
       ( resid 64 and name HB1
  ) 4.1 2.3 0.8 volume=0.215 peak=845 ppm1=1.676 ppm2=1.002

assign ( resid 62 and name HA
  )
       ( resid 75 and name HD1#
  ) 6.0 4.2 0.0 volume=0.033 peak=774 ppm1=4.344 ppm2=0.698

assign ( resid 85 and name HN
  )
       ( resid 86 and name HN
  ) 3.7 1.9 0.7 volume=0.442 peak=442 ppm1=7.878 ppm2=8.045

assign ( resid 79 and name HN
  )
       ( resid 75 and name HA
  ) 3.8 2.0 0.8 volume=0.357 peak=469 ppm1=8.083 ppm2=2.986

assign ( resid 61 and name HN
  )
       ( resid 75 and name HD2#
  ) 5.7 3.9 0.3 volume=0.095 peak=393 ppm1=7.586 ppm2=0.786

assign ( resid 85 and name HN
  )
       ( resid 85 and name HB2
  ) 3.2 1.4 0.6 volume=0.989 peak=356 ppm1=7.876 ppm2=1.799

assign ( resid 60 and name HG
  )
       ( resid 75 and name HB2
  ) 4.2 2.4 0.8 volume=0.198 peak=839 ppm1=1.412 ppm2=1.837

assign ( resid 78 and name HA
  )
       ( resid 78 and name HN
  ) 4.3 2.5 0.9 volume=0.172 peak=702 ppm1=4.036 ppm2=7.309

assign ( resid 61 and name HN
  )
       ( resid 61 and name HA
  ) 4.3 2.5 0.9 volume=0.167 peak=298 ppm1=7.596 ppm2=4.906

assign ( resid 75 and name HN
  )
       ( resid 74 and name HA
  ) 3.9 2.1 0.8 volume=0.298 peak=339 ppm1=7.341 ppm2=4.381

assign ( resid 76 and name HN
  )
       ( resid 76 and name HA
  ) 3.2 1.4 0.6 volume=1.032 peak=380 ppm1=8.252 ppm2=3.638

assign ( resid 80 and name HA
  )
       ( resid 84 and name HN
  ) 4.4 2.6 0.9 volume=0.153 peak=651 ppm1=3.925 ppm2=8.058

assign ( resid 74 and name HA
  )
       ( resid 77 and name HN
  ) 5.9 4.1 0.1 volume=0.027 peak=607 ppm1=4.399 ppm2=7.445

assign ( resid 60 and name HD2#
  )
       ( resid 75 and name HB1
  ) 5.7 3.9 0.3 volume=0.098 peak=868 ppm1=0.597 ppm2=1.086

assign ( resid 80 and name HN
  )
       ( resid 78 and name HA
  ) 4.3 2.5 0.9 volume=0.169 peak=320 ppm1=6.942 ppm2=4.044

assign ( resid 80 and name HN
  )
       ( resid 80 and name HG1
  or resid 80 and name HG2
  ) 3.3 1.5 0.7 volume=0.798 peak=281 ppm1=6.951 ppm2=1.535

assign ( resid 71 and name HN
  )
       ( resid 74 and name HB1
  or resid 74 and name HB2
  ) 3.4 1.6 0.7 volume=0.745 peak=361 ppm1=7.144 ppm2=2.809

assign ( resid 75 and name HD2#
  )
       ( resid 78 and name HD2
  ) 6.0 4.2 0.0 volume=0.061 peak=888 ppm1=0.787 ppm2=6.706

assign ( resid 76 and name HB2
  or resid 76 and name HB1
  )
       ( resid 77 and name HN
  ) 4.4 2.6 0.9 volume=0.152 peak=777 ppm1=1.738 ppm2=7.431

assign ( resid 69 and name HN
  )
       ( resid 61 and name HA
  ) 3.9 2.1 0.8 volume=0.293 peak=266 ppm1=8.300 ppm2=4.865

assign ( resid 60 and name HA
  )
       ( resid 60 and name HD1#
  ) 5.7 3.9 0.3 volume=0.093 peak=713 ppm1=4.307 ppm2=0.575

assign ( resid 69 and name HZ
  )
       ( resid 67 and name HG2
  or resid 67 and name HG1
  ) 4.7 2.9 0.9 volume=0.094 peak=60 ppm1=5.879 ppm2=0.920

assign ( resid 78 and name HN
  )
       ( resid 74 and name HA
  ) 4.2 2.4 0.8 volume=0.194 peak=264 ppm1=7.302 ppm2=4.400

assign ( resid 75 and name HN
  )
       ( resid 69 and name HB1
  ) 4.0 2.2 0.8 volume=0.257 peak=344 ppm1=7.340 ppm2=3.112

assign ( resid 64 and name HG1
  or resid 64 and name HG2
  )
       ( resid 64 and name HA
  ) 5.2 3.4 0.8 volume=0.057 peak=835 ppm1=1.676 ppm2=4.086

assign ( resid 60 and name HN
  )
       ( resid 69 and name HB1
  ) 3.9 2.1 0.8 volume=0.301 peak=425 ppm1=8.297 ppm2=3.128

assign ( resid 59 and name HG1
  or resid 59 and name HG2
  )
       ( resid 59 and name HD1
  or resid 59 and name HD2
  ) 3.9 2.1 0.8 volume=0.314 peak=624 ppm1=1.811 ppm2=3.484

assign ( resid 66 and name HA2
  )
       ( resid 66 and name HA1
  ) 4.0 2.2 0.8 volume=0.255 peak=865 ppm1=3.620 ppm2=4.080

assign ( resid 78 and name HN
  )
       ( resid 78 and name HB1
  ) 3.0 1.2 0.6 volume=1.337 peak=433 ppm1=7.300 ppm2=2.618

assign ( resid 60 and name HD2#
  )
       ( resid 75 and name HB2
  ) 6.0 4.2 0.0 volume=0.062 peak=873 ppm1=0.595 ppm2=1.795

assign ( resid 75 and name HD1#
  )
       ( resid 75 and name HB1
  ) 4.2 2.4 0.8 volume=0.561 peak=588 ppm1=0.691 ppm2=1.065

assign ( resid 74 and name HN
  )
       ( resid 71 and name HG2#
  ) 4.9 3.1 1.0 volume=0.241 peak=205 ppm1=7.738 ppm2=1.091

assign ( resid 82 and name HD2
  )
       ( resid 79 and name HG
  ) 3.6 1.8 0.7 volume=0.500 peak=90 ppm1=6.520 ppm2=1.077

assign ( resid 77 and name HA
  )
       ( resid 77 and name HG1
  or resid 77 and name HG2
  ) 3.9 2.1 0.8 volume=0.303 peak=536 ppm1=3.795 ppm2=1.406

assign ( resid 71 and name HN
  )
       ( resid 70 and name HN
  ) 4.4 2.6 0.9 volume=0.158 peak=230 ppm1=7.151 ppm2=9.021

assign ( resid 75 and name HA
  )
       ( resid 79 and name HN
  ) 5.7 3.9 0.3 volume=0.031 peak=802 ppm1=2.938 ppm2=8.090

assign ( resid 69 and name HN
  )
       ( resid 68 and name HN
  ) 4.5 2.7 0.9 volume=0.124 peak=403 ppm1=8.312 ppm2=7.914

assign ( resid 86 and name HA
  )
       ( resid 86 and name HN
  ) 5.6 3.8 0.4 volume=0.034 peak=695 ppm1=4.402 ppm2=8.097

assign ( resid 75 and name HD2#
  )
       ( resid 69 and name HB1
  ) 6.0 4.2 0.0 volume=0.067 peak=696 ppm1=0.782 ppm2=3.111

assign ( resid 59 and name HD1
  or resid 59 and name HD2
  )
       ( resid 58 and name HN
  ) 5.0 3.2 1.0 volume=0.065 peak=560 ppm1=3.480 ppm2=7.933

assign ( resid 62 and name HN
  )
       ( resid 62 and name HB1
  ) 3.7 1.9 0.7 volume=0.446 peak=412 ppm1=9.007 ppm2=2.724

assign ( resid 67 and name HB1
  )
       ( resid 68 and name HN
  ) 4.8 3.0 1.0 volume=0.092 peak=823 ppm1=1.104 ppm2=7.911

assign ( resid 76 and name HN
  )
       ( resid 74 and name HN
  ) 4.6 2.8 0.9 volume=0.117 peak=465 ppm1=8.256 ppm2=7.724

assign ( resid 75 and name HN
  )
       ( resid 69 and name HD1 or resid 69 and name HD2
  ) 4.8 3.0 1.0 volume=0.177 peak=446 ppm1=7.339 ppm2=7.043

assign ( resid 82 and name HD2
  )
       ( resid 65 and name HN
  ) 5.3 3.5 0.7 volume=0.047 peak=110 ppm1=6.514 ppm2=8.093

assign ( resid 84 and name HN
  )
       ( resid 85 and name HN
  ) 4.6 2.8 0.9 volume=0.121 peak=274 ppm1=8.054 ppm2=7.871

assign ( resid 83 and name HA
  )
       ( resid 83 and name HN
  ) 6.0 4.2 0.0 volume=0.011 peak=619 ppm1=4.265 ppm2=7.583

assign ( resid 83 and name HN
  )
       ( resid 81 and name HN
  ) 4.0 2.2 0.8 volume=0.254 peak=354 ppm1=7.588 ppm2=7.743

assign ( resid 67 and name HA
  )
       ( resid 67 and name HB2
  ) 3.4 1.6 0.7 volume=0.642 peak=898 ppm1=3.833 ppm2=1.305

assign ( resid 79 and name HG
  )
       ( resid 79 and name HA
  ) 3.9 2.1 0.8 volume=0.290 peak=807 ppm1=1.076 ppm2=3.634

assign ( resid 76 and name HG2
  or resid 76 and name HG1
  )
       ( resid 76 and name HB2
  or resid 76 and name HB1
  ) 3.4 1.6 0.7 volume=0.689 peak=626 ppm1=1.220 ppm2=1.690

assign ( resid 75 and name HG
  )
       ( resid 75 and name HB2
  ) 4.3 2.5 0.9 volume=0.160 peak=504 ppm1=1.348 ppm2=1.835

assign ( resid 70 and name HG2#
  )
       ( resid 70 and name HB
  ) 4.9 3.1 1.0 volume=0.225 peak=632 ppm1=1.122 ppm2=4.282

assign ( resid 60 and name HN
  )
       ( resid 69 and name HN
  ) 2.5 0.7 0.5 volume=4.840 peak=208 ppm1=8.320 ppm2=8.304

assign ( resid 86 and name HN
  )
       ( resid 85 and name HN
  ) 3.6 1.8 0.7 volume=0.506 peak=336 ppm1=8.084 ppm2=7.915

assign ( resid 67 and name HN
  )
       ( resid 66 and name HA1
  ) 4.0 2.2 0.8 volume=0.249 peak=296 ppm1=7.695 ppm2=4.060

assign ( resid 70 and name HG2#
  )
       ( resid 70 and name HA
  ) 4.7 2.9 0.9 volume=0.281 peak=846 ppm1=1.121 ppm2=4.262

assign ( resid 79 and name HA
  )
       ( resid 80 and name HN
  ) 5.3 3.5 0.7 volume=0.047 peak=809 ppm1=3.637 ppm2=6.946

assign ( resid 69 and name HD1 or resid 69 and name HD2
  )
       ( resid 62 and name HN
  ) 5.2 3.4 0.8 volume=0.107 peak=25 ppm1=7.051 ppm2=8.997

assign ( resid 82 and name HD2
  )
       ( resid 78 and name HD2
  ) 4.3 2.5 0.9 volume=0.173 peak=52 ppm1=6.521 ppm2=6.716

assign ( resid 65 and name HN
  )
       ( resid 65 and name HB2
  ) 3.5 1.7 0.7 volume=0.614 peak=259 ppm1=8.115 ppm2=2.716

assign ( resid 77 and name HN
  )
       ( resid 78 and name HN
  ) 3.2 1.4 0.6 volume=0.926 peak=220 ppm1=7.450 ppm2=7.315

assign ( resid 76 and name HD1
  or resid 76 and name HD2
  )
       ( resid 76 and name HN
  ) 4.9 3.1 1.0 volume=0.074 peak=734 ppm1=1.486 ppm2=8.238

assign ( resid 74 and name HN
  )
       ( resid 73 and name HA2
  or resid 73 and name HA1
  ) 3.6 1.8 0.7 volume=0.472 peak=419 ppm1=7.743 ppm2=3.778

assign ( resid 78 and name HD2
  )
       ( resid 75 and name HB2
  ) 5.6 3.8 0.4 volume=0.036 peak=132 ppm1=6.728 ppm2=1.874


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY  58           HT1      GLY  58   9.051   7.149   3.323
    2    H2   GLY  58           HT2      GLY  58  10.507   6.741   2.560
    3    H3   GLY  58           HT3      GLY  58  10.521   7.739   3.927
    4    HA2  GLY  58           HA1      GLY  58  11.212   5.600   4.636
    5    HA3  GLY  58           HA2      GLY  58   9.574   5.877   5.233
    6    HA   PRO  59           HA       PRO  59  10.150   2.161   1.924
    7    HB2  PRO  59           HB2      PRO  59  11.197   0.906   4.437
    8    HB3  PRO  59           HB1      PRO  59  11.516   0.476   2.752
    9    HG2  PRO  59           HG2      PRO  59  13.279   1.898   4.172
   10    HG3  PRO  59           HG1      PRO  59  13.009   2.209   2.447
   11    HD2  PRO  59           HD2      PRO  59  12.227   3.827   4.791
   12    HD3  PRO  59           HD1      PRO  59  12.475   4.321   3.105
   13    H    LEU  60           HN       LEU  60   8.073   1.815   1.805
   14    HA   LEU  60           HA       LEU  60   6.675   0.712   4.130
   15    HB2  LEU  60           HB2      LEU  60   5.563   2.291   1.824
   16    HB3  LEU  60           HB1      LEU  60   4.578   1.505   3.047
   17    HG   LEU  60           HG       LEU  60   6.557   3.722   3.568
   18   HD11  LEU  60          HD11      LEU  60   4.572   5.084   4.004
   19   HD12  LEU  60          HD12      LEU  60   3.544   3.738   3.511
   20   HD13  LEU  60          HD13      LEU  60   4.614   4.509   2.338
   21   HD21  LEU  60          HD21      LEU  60   4.584   2.368   5.401
   22   HD22  LEU  60          HD22      LEU  60   5.590   3.757   5.811
   23   HD23  LEU  60          HD23      LEU  60   6.339   2.199   5.461
   24    H    LYS  61           HN       LYS  61   6.639  -1.388   3.977
   25    HA   LYS  61           HA       LYS  61   6.816  -2.710   1.410
   26    HB2  LYS  61           HB2      LYS  61   8.159  -3.562   3.237
   27    HB3  LYS  61           HB1      LYS  61   6.741  -3.740   4.256
   28    HG2  LYS  61           HG2      LYS  61   7.215  -5.909   3.560
   29    HG3  LYS  61           HG1      LYS  61   5.907  -5.403   2.489
   30    HD2  LYS  61           HD2      LYS  61   7.582  -6.533   1.190
   31    HD3  LYS  61           HD1      LYS  61   7.615  -4.817   0.783
   32    HE2  LYS  61           HE2      LYS  61   9.549  -4.476   2.171
   33    HE3  LYS  61           HE1      LYS  61   9.470  -6.135   2.758
   34    HZ1  LYS  61           HZ1      LYS  61   9.963  -6.931   0.557
   35    HZ2  LYS  61           HZ2      LYS  61  11.161  -5.823   1.035
   36    HZ3  LYS  61           HZ3      LYS  61   9.962  -5.352  -0.068
   37    H    CYS  62           HN       CYS  62   5.146  -3.492   0.276
   38    HA   CYS  62           HA       CYS  62   2.547  -3.748   1.572
   39    HB2  CYS  62           HB2      CYS  62   2.564  -2.747  -0.671
   40    HB3  CYS  62           HB1      CYS  62   3.364  -4.176  -1.325
   41    H    ARG  63           HN       ARG  63   2.529  -5.530   2.805
   42    HA   ARG  63           HA       ARG  63   3.993  -7.858   2.445
   43    HB2  ARG  63           HB2      ARG  63   2.837  -7.242   4.531
   44    HB3  ARG  63           HB1      ARG  63   1.289  -7.558   3.761
   45    HG2  ARG  63           HG2      ARG  63   1.970  -9.912   3.452
   46    HG3  ARG  63           HG1      ARG  63   3.450  -9.564   4.347
   47    HD2  ARG  63           HD2      ARG  63   2.097  -8.885   6.280
   48    HD3  ARG  63           HD1      ARG  63   0.634  -9.284   5.381
   49    HE   ARG  63           HE       ARG  63   2.656 -11.361   5.850
   50   HH11  ARG  63          HH11      ARG  63  -0.581 -10.101   6.306
   51   HH12  ARG  63          HH12      ARG  63  -1.174 -11.551   7.061
   52   HH21  ARG  63          HH21      ARG  63   1.878 -13.277   6.839
   53   HH22  ARG  63          HH22      ARG  63   0.210 -13.368   7.336
   54    H    GLU  64           HN       GLU  64   0.960  -6.885   1.035
   55    HA   GLU  64           HA       GLU  64   0.160  -9.469   0.149
   56    HB2  GLU  64           HB2      GLU  64  -0.736  -6.794  -0.928
   57    HB3  GLU  64           HB1      GLU  64  -1.591  -8.334  -1.044
   58    HG2  GLU  64           HG2      GLU  64  -1.056  -6.762   1.465
   59    HG3  GLU  64           HG1      GLU  64  -2.605  -6.945   0.644
   60    H    CYS  65           HN       CYS  65   1.768  -6.722  -1.427
   61    HA   CYS  65           HA       CYS  65   1.864  -8.135  -3.970
   62    HB2  CYS  65           HB2      CYS  65   2.769  -5.418  -3.052
   63    HB3  CYS  65           HB1      CYS  65   3.177  -6.038  -4.656
   64    H    GLY  66           HN       GLY  66   4.005  -7.029  -1.420
   65    HA2  GLY  66           HA2      GLY  66   6.003  -8.181  -0.834
   66    HA3  GLY  66           HA1      GLY  66   6.125  -8.769  -2.495
   67    H    LYS  67           HN       LYS  67   5.156  -5.688  -2.724
   68    HA   LYS  67           HA       LYS  67   7.799  -4.731  -3.356
   69    HB2  LYS  67           HB2      LYS  67   6.620  -2.864  -4.440
   70    HB3  LYS  67           HB1      LYS  67   6.141  -4.441  -5.069
   71    HG2  LYS  67           HG2      LYS  67   4.138  -4.334  -3.586
   72    HG3  LYS  67           HG1      LYS  67   4.597  -2.672  -3.191
   73    HD2  LYS  67           HD2      LYS  67   4.248  -3.640  -6.004
   74    HD3  LYS  67           HD1      LYS  67   2.914  -2.962  -5.068
   75    HE2  LYS  67           HE2      LYS  67   4.061  -0.869  -4.852
   76    HE3  LYS  67           HE1      LYS  67   5.526  -1.544  -5.568
   77    HZ1  LYS  67           HZ1      LYS  67   2.930  -1.102  -6.950
   78    HZ2  LYS  67           HZ2      LYS  67   4.271  -1.866  -7.641
   79    HZ3  LYS  67           HZ3      LYS  67   4.370  -0.235  -7.194
   80    H    GLN  68           HN       GLN  68   7.620  -2.120  -3.007
   81    HA   GLN  68           HA       GLN  68   7.006  -1.484  -0.273
   82    HB2  GLN  68           HB2      GLN  68   9.024  -2.866  -0.000
   83    HB3  GLN  68           HB1      GLN  68   9.895  -1.809  -1.114
   84    HG2  GLN  68           HG2      GLN  68   9.690   0.036   0.439
   85    HG3  GLN  68           HG1      GLN  68   8.738  -0.966   1.535
   86   HE21  GLN  68          HE21      GLN  68   9.748  -2.552   2.740
   87   HE22  GLN  68          HE22      GLN  68  11.476  -2.627   2.923
   88    H    PHE  69           HN       PHE  69   6.903   0.679   0.054
   89    HA   PHE  69           HA       PHE  69   7.680   2.369  -2.251
   90    HB2  PHE  69           HB2      PHE  69   5.444   2.603  -0.235
   91    HB3  PHE  69           HB1      PHE  69   5.960   3.979  -1.213
   92    HD1  PHE  69           HD1      PHE  69   4.469   0.602  -1.342
   93    HD2  PHE  69           HD2      PHE  69   5.332   4.181  -3.474
   94    HE1  PHE  69           HE1      PHE  69   2.983  -0.130  -3.163
   95    HE2  PHE  69           HE2      PHE  69   3.852   3.457  -5.301
   96    HZ   PHE  69           HZ       PHE  69   2.674   1.301  -5.143
   97    H    THR  70           HN       THR  70   7.805   4.794  -1.345
   98    HA   THR  70           HA       THR  70   9.001   4.865   1.313
   99    HB   THR  70           HB       THR  70  10.867   4.786  -0.354
  100    HG1  THR  70           HG1      THR  70  12.007   6.306   0.733
  101   HG21  THR  70          HG21      THR  70  11.296   6.790  -1.728
  102   HG22  THR  70          HG22      THR  70   9.721   7.429  -1.260
  103   HG23  THR  70          HG23      THR  70   9.823   5.949  -2.216
  104    H    THR  71           HN       THR  71   6.487   5.613  -0.224
  105    HA   THR  71           HA       THR  71   6.283   8.345   0.839
  106    HB   THR  71           HB       THR  71   4.930   7.428  -1.708
  107    HG1  THR  71           HG1      THR  71   7.078   7.554  -2.230
  108   HG21  THR  71          HG21      THR  71   5.329  10.172  -0.512
  109   HG22  THR  71          HG22      THR  71   3.823   9.254  -0.498
  110   HG23  THR  71          HG23      THR  71   4.502   9.811  -2.028
  111    H    SER  72           HN       SER  72   4.604   8.642   2.119
  112    HA   SER  72           HA       SER  72   3.244   6.408   3.145
  113    HB2  SER  72           HB2      SER  72   3.841   8.287   4.550
  114    HB3  SER  72           HB1      SER  72   2.814   9.365   3.607
  115    HG   SER  72           HG       SER  72   1.870   7.094   5.042
  116    H    GLY  73           HN       GLY  73   1.994   9.211   1.311
  117    HA2  GLY  73           HA2      GLY  73  -0.701   8.431   1.369
  118    HA3  GLY  73           HA1      GLY  73   0.017   9.513   0.186
  119    H    ASN  74           HN       ASN  74   1.829   7.687  -0.989
  120    HA   ASN  74           HA       ASN  74   0.131   6.497  -2.889
  121    HB2  ASN  74           HB2      ASN  74   3.079   6.209  -2.364
  122    HB3  ASN  74           HB1      ASN  74   2.273   5.299  -3.637
  123   HD21  ASN  74          HD21      ASN  74   1.300   6.453  -5.361
  124   HD22  ASN  74          HD22      ASN  74   1.842   8.050  -5.773
  125    H    LEU  75           HN       LEU  75   2.027   5.057  -0.248
  126    HA   LEU  75           HA       LEU  75   1.198   2.394  -0.868
  127    HB2  LEU  75           HB2      LEU  75   3.302   3.092   0.377
  128    HB3  LEU  75           HB1      LEU  75   2.261   3.387   1.760
  129    HG   LEU  75           HG       LEU  75   3.588   1.130   1.506
  130   HD11  LEU  75          HD11      LEU  75   2.188   1.699   3.386
  131   HD12  LEU  75          HD12      LEU  75   1.877   0.037   2.882
  132   HD13  LEU  75          HD13      LEU  75   0.740   1.318   2.458
  133   HD21  LEU  75          HD21      LEU  75   2.190  -0.646   0.572
  134   HD22  LEU  75          HD22      LEU  75   2.672   0.517  -0.662
  135   HD23  LEU  75          HD23      LEU  75   1.039   0.560   0.001
  136    H    LYS  76           HN       LYS  76   0.060   4.912   1.340
  137    HA   LYS  76           HA       LYS  76  -1.794   3.326   2.738
  138    HB2  LYS  76           HB2      LYS  76  -1.420   6.231   2.302
  139    HB3  LYS  76           HB1      LYS  76  -3.030   5.711   2.785
  140    HG2  LYS  76           HG2      LYS  76  -0.456   5.247   4.273
  141    HG3  LYS  76           HG1      LYS  76  -1.773   6.323   4.734
  142    HD2  LYS  76           HD2      LYS  76  -1.720   3.318   4.720
  143    HD3  LYS  76           HD1      LYS  76  -2.054   4.405   6.068
  144    HE2  LYS  76           HE2      LYS  76  -4.133   5.119   4.872
  145    HE3  LYS  76           HE1      LYS  76  -3.806   3.869   3.669
  146    HZ1  LYS  76           HZ1      LYS  76  -5.322   2.953   5.193
  147    HZ2  LYS  76           HZ2      LYS  76  -4.453   3.508   6.536
  148    HZ3  LYS  76           HZ3      LYS  76  -3.820   2.257   5.580
  149    H    ARG  77           HN       ARG  77  -2.321   5.468  -0.082
  150    HA   ARG  77           HA       ARG  77  -4.977   4.693  -0.546
  151    HB2  ARG  77           HB2      ARG  77  -3.799   6.648  -1.553
  152    HB3  ARG  77           HB1      ARG  77  -2.923   5.533  -2.590
  153    HG2  ARG  77           HG2      ARG  77  -5.045   4.809  -3.578
  154    HG3  ARG  77           HG1      ARG  77  -5.897   5.973  -2.559
  155    HD2  ARG  77           HD2      ARG  77  -5.588   6.972  -4.705
  156    HD3  ARG  77           HD1      ARG  77  -4.496   7.763  -3.568
  157    HE   ARG  77           HE       ARG  77  -3.200   5.603  -4.883
  158   HH11  ARG  77          HH11      ARG  77  -4.321   8.870  -5.438
  159   HH12  ARG  77          HH12      ARG  77  -3.073   9.253  -6.584
  160   HH21  ARG  77          HH21      ARG  77  -1.547   6.088  -6.399
  161   HH22  ARG  77          HH22      ARG  77  -1.519   7.647  -7.167
  162    H    HIS  78           HN       HIS  78  -1.927   3.269  -1.427
  163    HA   HIS  78           HA       HIS  78  -2.843   1.382  -3.305
  164    HB2  HIS  78           HB2      HIS  78  -0.479   2.065  -3.010
  165    HB3  HIS  78           HB1      HIS  78  -0.452   1.245  -1.448
  166    HD1  HIS  78           HD1      HIS  78  -0.946   0.371  -5.134
  167    HD2  HIS  78           HD2      HIS  78   0.370  -1.295  -1.558
  168    HE1  HIS  78           HE1      HIS  78  -0.000  -1.896  -5.720
  169    H    LEU  79           HN       LEU  79  -2.338   1.183   0.223
  170    HA   LEU  79           HA       LEU  79  -3.244  -1.557   0.290
  171    HB2  LEU  79           HB2      LEU  79  -2.659   0.377   2.534
  172    HB3  LEU  79           HB1      LEU  79  -3.070  -1.320   2.755
  173    HG   LEU  79           HG       LEU  79  -0.569  -0.154   1.553
  174   HD11  LEU  79          HD11      LEU  79  -0.663  -0.389   3.989
  175   HD12  LEU  79          HD12      LEU  79   0.514  -1.493   3.276
  176   HD13  LEU  79          HD13      LEU  79  -1.055  -2.098   3.808
  177   HD21  LEU  79          HD21      LEU  79  -1.302  -1.961   0.088
  178   HD22  LEU  79          HD22      LEU  79  -1.461  -3.034   1.479
  179   HD23  LEU  79          HD23      LEU  79   0.128  -2.430   1.006
  180    H    ARG  80           HN       ARG  80  -4.661   1.550   0.497
  181    HA   ARG  80           HA       ARG  80  -7.063   0.993   1.797
  182    HB2  ARG  80           HB2      ARG  80  -6.401   3.252   1.148
  183    HB3  ARG  80           HB1      ARG  80  -6.512   2.820  -0.552
  184    HG2  ARG  80           HG2      ARG  80  -8.901   2.519  -0.357
  185    HG3  ARG  80           HG1      ARG  80  -8.820   2.841   1.376
  186    HD2  ARG  80           HD2      ARG  80  -7.980   5.096   0.906
  187    HD3  ARG  80           HD1      ARG  80  -8.097   4.769  -0.823
  188    HE   ARG  80           HE       ARG  80 -10.576   4.383  -0.255
  189   HH11  ARG  80          HH11      ARG  80  -8.499   6.681   1.373
  190   HH12  ARG  80          HH12      ARG  80  -9.782   7.815   1.670
  191   HH21  ARG  80          HH21      ARG  80 -12.272   5.835   0.191
  192   HH22  ARG  80          HH22      ARG  80 -11.936   7.319   1.046
  193    H    ILE  81           HN       ILE  81  -6.184   0.690  -1.620
  194    HA   ILE  81           HA       ILE  81  -8.581  -0.500  -2.505
  195    HB   ILE  81           HB       ILE  81  -5.793  -0.859  -3.632
  196   HG12  ILE  81          HG12      ILE  81  -7.924   1.160  -4.378
  197   HG13  ILE  81          HG11      ILE  81  -6.488   1.521  -3.425
  198   HG21  ILE  81          HG21      ILE  81  -6.945  -1.352  -5.738
  199   HG22  ILE  81          HG22      ILE  81  -8.499  -1.230  -4.912
  200   HG23  ILE  81          HG23      ILE  81  -7.366  -2.510  -4.476
  201   HD11  ILE  81          HD11      ILE  81  -5.076   0.942  -5.323
  202   HD12  ILE  81          HD12      ILE  81  -6.229   2.209  -5.744
  203   HD13  ILE  81          HD13      ILE  81  -6.509   0.550  -6.274
  204    H    HIS  82           HN       HIS  82  -5.561  -1.831  -1.269
  205    HA   HIS  82           HA       HIS  82  -6.079  -4.553  -1.652
  206    HB2  HIS  82           HB2      HIS  82  -4.307  -2.984   0.166
  207    HB3  HIS  82           HB1      HIS  82  -4.516  -4.705   0.487
  208    HD1  HIS  82           HD1      HIS  82  -3.867  -6.307  -1.662
  209    HD2  HIS  82           HD2      HIS  82  -2.436  -2.397  -1.661
  210    HE1  HIS  82           HE1      HIS  82  -1.871  -6.244  -3.255
  211    H    SER  83           HN       SER  83  -6.938  -2.402   1.011
  212    HA   SER  83           HA       SER  83  -7.985  -4.586   2.591
  213    HB2  SER  83           HB2      SER  83  -8.098  -1.602   3.097
  214    HB3  SER  83           HB1      SER  83  -8.478  -2.869   4.265
  215    HG   SER  83           HG       SER  83  -5.957  -2.374   3.038
  216    H    GLY  84           HN       GLY  84  -9.209  -2.140   0.438
  217    HA2  GLY  84           HA2      GLY  84 -11.322  -2.031  -0.535
  218    HA3  GLY  84           HA1      GLY  84 -11.864  -3.305   0.550
  219    H    GLU  85           HN       GLU  85 -10.238  -0.967   2.253
  220    HA   GLU  85           HA       GLU  85 -12.765   0.180   3.193
  221    HB2  GLU  85           HB2      GLU  85 -10.259  -0.636   4.573
  222    HB3  GLU  85           HB1      GLU  85 -11.132   0.750   5.217
  223    HG2  GLU  85           HG2      GLU  85 -12.323  -1.976   4.749
  224    HG3  GLU  85           HG1      GLU  85 -11.758  -1.361   6.303
  225    H    LYS  86           HN       LYS  86 -11.855   2.294   4.626
  226    HA   LYS  86           HA       LYS  86 -10.983   4.065   2.450
  227    HB2  LYS  86           HB2      LYS  86 -12.495   4.854   4.953
  228    HB3  LYS  86           HB1      LYS  86 -12.204   5.846   3.534
  229    HG2  LYS  86           HG2      LYS  86 -14.432   5.210   3.328
  230    HG3  LYS  86           HG1      LYS  86 -13.582   4.089   2.263
  231    HD2  LYS  86           HD2      LYS  86 -13.598   2.404   4.058
  232    HD3  LYS  86           HD1      LYS  86 -14.499   3.520   5.082
  233    HE2  LYS  86           HE2      LYS  86 -16.351   3.498   3.498
  234    HE3  LYS  86           HE1      LYS  86 -15.438   2.423   2.434
  235    HZ1  LYS  86           HZ1      LYS  86 -16.257   1.756   5.211
  236    HZ2  LYS  86           HZ2      LYS  86 -15.470   0.723   4.124
  237    HZ3  LYS  86           HZ3      LYS  86 -17.061   1.232   3.817
  Start of MODEL    2
    1    H1   GLY  58           HT1      GLY  58   9.506   7.977   3.785
    2    H2   GLY  58           HT2      GLY  58   8.439   6.720   4.186
    3    H3   GLY  58           HT3      GLY  58   8.564   7.245   2.580
    4    HA2  GLY  58           HA1      GLY  58  10.789   6.430   2.399
    5    HA3  GLY  58           HA2      GLY  58  10.775   5.993   4.108
    6    HA   PRO  59           HA       PRO  59   9.929   2.282   1.242
    7    HB2  PRO  59           HB2      PRO  59  11.294   1.257   3.701
    8    HB3  PRO  59           HB1      PRO  59  11.427   0.699   2.028
    9    HG2  PRO  59           HG2      PRO  59  13.294   2.272   3.130
   10    HG3  PRO  59           HG1      PRO  59  12.839   2.418   1.424
   11    HD2  PRO  59           HD2      PRO  59  12.282   4.242   3.673
   12    HD3  PRO  59           HD1      PRO  59  12.301   4.568   1.929
   13    H    LEU  60           HN       LEU  60   7.861   1.897   1.394
   14    HA   LEU  60           HA       LEU  60   6.831   0.824   3.920
   15    HB2  LEU  60           HB2      LEU  60   5.378   2.384   1.803
   16    HB3  LEU  60           HB1      LEU  60   4.565   1.526   3.107
   17    HG   LEU  60           HG       LEU  60   6.498   3.824   3.436
   18   HD11  LEU  60          HD11      LEU  60   4.341   4.510   2.548
   19   HD12  LEU  60          HD12      LEU  60   4.540   5.046   4.218
   20   HD13  LEU  60          HD13      LEU  60   3.521   3.655   3.853
   21   HD21  LEU  60          HD21      LEU  60   5.875   3.736   5.800
   22   HD22  LEU  60          HD22      LEU  60   6.664   2.246   5.285
   23   HD23  LEU  60          HD23      LEU  60   4.912   2.289   5.493
   24    H    LYS  61           HN       LYS  61   6.418  -1.232   3.894
   25    HA   LYS  61           HA       LYS  61   6.724  -2.665   1.410
   26    HB2  LYS  61           HB2      LYS  61   7.797  -3.285   3.617
   27    HB3  LYS  61           HB1      LYS  61   6.204  -3.772   4.171
   28    HG2  LYS  61           HG2      LYS  61   7.332  -5.727   3.489
   29    HG3  LYS  61           HG1      LYS  61   6.127  -5.376   2.249
   30    HD2  LYS  61           HD2      LYS  61   7.772  -4.526   0.768
   31    HD3  LYS  61           HD1      LYS  61   9.000  -4.498   2.036
   32    HE2  LYS  61           HE2      LYS  61   7.710  -6.960   0.860
   33    HE3  LYS  61           HE1      LYS  61   9.340  -6.380   0.521
   34    HZ1  LYS  61           HZ1      LYS  61   8.296  -7.433   3.088
   35    HZ2  LYS  61           HZ2      LYS  61   9.779  -6.625   2.955
   36    HZ3  LYS  61           HZ3      LYS  61   9.532  -8.076   2.126
   37    H    CYS  62           HN       CYS  62   5.112  -3.450   0.186
   38    HA   CYS  62           HA       CYS  62   2.417  -3.551   1.278
   39    HB2  CYS  62           HB2      CYS  62   2.682  -2.703  -1.030
   40    HB3  CYS  62           HB1      CYS  62   3.429  -4.226  -1.516
   41    H    ARG  63           HN       ARG  63   2.041  -5.284   2.494
   42    HA   ARG  63           HA       ARG  63   3.689  -7.586   2.500
   43    HB2  ARG  63           HB2      ARG  63   0.875  -7.493   3.567
   44    HB3  ARG  63           HB1      ARG  63   2.231  -8.440   4.160
   45    HG2  ARG  63           HG2      ARG  63   3.261  -6.538   5.116
   46    HG3  ARG  63           HG1      ARG  63   2.157  -5.437   4.283
   47    HD2  ARG  63           HD2      ARG  63   1.567  -7.319   6.548
   48    HD3  ARG  63           HD1      ARG  63   1.351  -5.568   6.491
   49    HE   ARG  63           HE       ARG  63  -0.334  -6.253   4.598
   50   HH11  ARG  63          HH11      ARG  63   0.194  -7.768   7.690
   51   HH12  ARG  63          HH12      ARG  63  -1.377  -8.493   7.758
   52   HH21  ARG  63          HH21      ARG  63  -2.388  -7.202   4.636
   53   HH22  ARG  63          HH22      ARG  63  -2.870  -8.156   6.013
   54    H    GLU  64           HN       GLU  64   0.641  -6.775   1.018
   55    HA   GLU  64           HA       GLU  64  -0.110  -9.377   0.228
   56    HB2  GLU  64           HB2      GLU  64  -0.907  -6.665  -0.851
   57    HB3  GLU  64           HB1      GLU  64  -1.681  -8.184  -1.306
   58    HG2  GLU  64           HG2      GLU  64  -3.056  -7.138   0.314
   59    HG3  GLU  64           HG1      GLU  64  -2.281  -8.512   1.094
   60    H    CYS  65           HN       CYS  65   1.842  -6.874  -1.343
   61    HA   CYS  65           HA       CYS  65   2.024  -8.514  -3.758
   62    HB2  CYS  65           HB2      CYS  65   2.850  -5.704  -3.082
   63    HB3  CYS  65           HB1      CYS  65   3.313  -6.484  -4.605
   64    H    GLY  66           HN       GLY  66   4.071  -7.087  -1.250
   65    HA2  GLY  66           HA2      GLY  66   5.986  -8.248  -0.398
   66    HA3  GLY  66           HA1      GLY  66   6.179  -9.027  -1.969
   67    H    LYS  67           HN       LYS  67   5.382  -5.888  -2.448
   68    HA   LYS  67           HA       LYS  67   8.141  -5.086  -2.919
   69    HB2  LYS  67           HB2      LYS  67   7.041  -3.335  -4.376
   70    HB3  LYS  67           HB1      LYS  67   6.907  -5.009  -4.929
   71    HG2  LYS  67           HG2      LYS  67   4.660  -5.105  -3.909
   72    HG3  LYS  67           HG1      LYS  67   4.802  -3.386  -3.531
   73    HD2  LYS  67           HD2      LYS  67   5.198  -4.425  -6.301
   74    HD3  LYS  67           HD1      LYS  67   3.588  -4.057  -5.672
   75    HE2  LYS  67           HE2      LYS  67   4.273  -1.762  -5.220
   76    HE3  LYS  67           HE1      LYS  67   5.908  -2.123  -5.783
   77    HZ1  LYS  67           HZ1      LYS  67   4.677  -1.013  -7.508
   78    HZ2  LYS  67           HZ2      LYS  67   3.432  -2.153  -7.425
   79    HZ3  LYS  67           HZ3      LYS  67   4.963  -2.616  -7.988
   80    H    GLN  68           HN       GLN  68   7.934  -2.433  -2.965
   81    HA   GLN  68           HA       GLN  68   6.797  -1.530  -0.462
   82    HB2  GLN  68           HB2      GLN  68   8.995  -0.743   0.407
   83    HB3  GLN  68           HB1      GLN  68   8.832  -2.498   0.355
   84    HG2  GLN  68           HG2      GLN  68  10.098  -2.448  -1.812
   85    HG3  GLN  68           HG1      GLN  68  10.411  -0.739  -1.507
   86   HE21  GLN  68          HE21      GLN  68  11.769  -0.154   0.191
   87   HE22  GLN  68          HE22      GLN  68  12.822  -1.294   0.972
   88    H    PHE  69           HN       PHE  69   6.859   0.751  -0.164
   89    HA   PHE  69           HA       PHE  69   7.325   2.204  -2.707
   90    HB2  PHE  69           HB2      PHE  69   5.130   2.513  -0.653
   91    HB3  PHE  69           HB1      PHE  69   5.444   3.714  -1.908
   92    HD1  PHE  69           HD1      PHE  69   4.537   0.155  -1.367
   93    HD2  PHE  69           HD2      PHE  69   4.562   3.457  -4.048
   94    HE1  PHE  69           HE1      PHE  69   3.108  -1.103  -2.922
   95    HE2  PHE  69           HE2      PHE  69   3.134   2.203  -5.609
   96    HZ   PHE  69           HZ       PHE  69   2.404  -0.079  -5.048
   97    H    THR  70           HN       THR  70   7.333   4.711  -2.169
   98    HA   THR  70           HA       THR  70   9.312   5.063  -0.026
   99    HB   THR  70           HB       THR  70  10.159   6.971  -1.359
  100    HG1  THR  70           HG1      THR  70   9.358   7.073  -3.578
  101   HG21  THR  70          HG21      THR  70  11.164   4.757  -1.635
  102   HG22  THR  70          HG22      THR  70  11.174   5.652  -3.155
  103   HG23  THR  70          HG23      THR  70   9.982   4.379  -2.890
  104    H    THR  71           HN       THR  71   6.248   6.041  -1.203
  105    HA   THR  71           HA       THR  71   6.234   8.423   0.516
  106    HB   THR  71           HB       THR  71   4.165   8.968  -0.986
  107    HG1  THR  71           HG1      THR  71   5.123   7.932  -3.190
  108   HG21  THR  71          HG21      THR  71   5.637  10.045  -2.655
  109   HG22  THR  71          HG22      THR  71   6.996   9.105  -2.038
  110   HG23  THR  71          HG23      THR  71   6.205  10.296  -1.004
  111    H    SER  72           HN       SER  72   4.778   8.625   2.076
  112    HA   SER  72           HA       SER  72   3.561   6.336   3.143
  113    HB2  SER  72           HB2      SER  72   3.046   9.231   3.835
  114    HB3  SER  72           HB1      SER  72   2.685   7.836   4.851
  115    HG   SER  72           HG       SER  72   4.613   8.523   5.576
  116    H    GLY  73           HN       GLY  73   2.161   9.160   1.482
  117    HA2  GLY  73           HA2      GLY  73  -0.533   8.333   1.890
  118    HA3  GLY  73           HA1      GLY  73   0.011   9.553   0.746
  119    H    ASN  74           HN       ASN  74   1.806   7.747  -0.646
  120    HA   ASN  74           HA       ASN  74  -0.058   6.843  -2.579
  121    HB2  ASN  74           HB2      ASN  74   2.285   7.662  -3.049
  122    HB3  ASN  74           HB1      ASN  74   2.877   6.121  -2.435
  123   HD21  ASN  74          HD21      ASN  74   1.063   7.697  -4.963
  124   HD22  ASN  74          HD22      ASN  74   1.149   6.397  -6.106
  125    H    LEU  75           HN       LEU  75   1.975   5.192  -0.187
  126    HA   LEU  75           HA       LEU  75   1.209   2.570  -1.021
  127    HB2  LEU  75           HB2      LEU  75   3.321   3.117   0.202
  128    HB3  LEU  75           HB1      LEU  75   2.346   3.444   1.624
  129    HG   LEU  75           HG       LEU  75   3.591   1.124   1.240
  130   HD11  LEU  75          HD11      LEU  75   2.426   1.826   3.260
  131   HD12  LEU  75          HD12      LEU  75   2.032   0.157   2.850
  132   HD13  LEU  75          HD13      LEU  75   0.876   1.445   2.510
  133   HD21  LEU  75          HD21      LEU  75   0.845   0.680   0.088
  134   HD22  LEU  75          HD22      LEU  75   2.009  -0.577   0.507
  135   HD23  LEU  75          HD23      LEU  75   2.368   0.561  -0.793
  136    H    LYS  76           HN       LYS  76   0.088   4.776   1.531
  137    HA   LYS  76           HA       LYS  76  -1.611   2.840   2.714
  138    HB2  LYS  76           HB2      LYS  76  -0.804   4.828   3.929
  139    HB3  LYS  76           HB1      LYS  76  -1.809   5.847   2.908
  140    HG2  LYS  76           HG2      LYS  76  -2.704   5.252   5.209
  141    HG3  LYS  76           HG1      LYS  76  -3.788   5.030   3.837
  142    HD2  LYS  76           HD2      LYS  76  -3.874   3.143   5.437
  143    HD3  LYS  76           HD1      LYS  76  -3.361   2.651   3.824
  144    HE2  LYS  76           HE2      LYS  76  -1.978   1.524   5.401
  145    HE3  LYS  76           HE1      LYS  76  -1.001   2.764   4.622
  146    HZ1  LYS  76           HZ1      LYS  76  -2.278   3.011   7.300
  147    HZ2  LYS  76           HZ2      LYS  76  -1.299   4.180   6.554
  148    HZ3  LYS  76           HZ3      LYS  76  -0.634   2.692   7.017
  149    H    ARG  77           HN       ARG  77  -2.214   5.433   0.341
  150    HA   ARG  77           HA       ARG  77  -4.941   4.823  -0.054
  151    HB2  ARG  77           HB2      ARG  77  -2.871   6.323  -1.506
  152    HB3  ARG  77           HB1      ARG  77  -4.095   5.613  -2.550
  153    HG2  ARG  77           HG2      ARG  77  -4.746   7.846  -1.982
  154    HG3  ARG  77           HG1      ARG  77  -5.841   6.710  -1.193
  155    HD2  ARG  77           HD2      ARG  77  -4.338   6.942   0.853
  156    HD3  ARG  77           HD1      ARG  77  -3.624   8.330   0.032
  157    HE   ARG  77           HE       ARG  77  -6.353   8.111   1.068
  158   HH11  ARG  77          HH11      ARG  77  -3.875  10.036  -0.494
  159   HH12  ARG  77          HH12      ARG  77  -4.740  11.528  -0.307
  160   HH21  ARG  77          HH21      ARG  77  -7.502  10.064   1.285
  161   HH22  ARG  77          HH22      ARG  77  -6.797  11.550   0.711
  162    H    HIS  78           HN       HIS  78  -1.993   3.473  -1.362
  163    HA   HIS  78           HA       HIS  78  -3.106   1.742  -3.263
  164    HB2  HIS  78           HB2      HIS  78  -0.741   2.253  -3.262
  165    HB3  HIS  78           HB1      HIS  78  -0.551   1.560  -1.648
  166    HD1  HIS  78           HD1      HIS  78  -1.260   0.479  -5.223
  167    HD2  HIS  78           HD2      HIS  78  -0.003  -1.078  -1.574
  168    HE1  HIS  78           HE1      HIS  78  -0.541  -1.896  -5.674
  169    H    LEU  79           HN       LEU  79  -2.264   1.197   0.167
  170    HA   LEU  79           HA       LEU  79  -3.129  -1.519   0.090
  171    HB2  LEU  79           HB2      LEU  79  -2.533   0.291   2.428
  172    HB3  LEU  79           HB1      LEU  79  -2.908  -1.424   2.569
  173    HG   LEU  79           HG       LEU  79  -0.486  -0.166   1.283
  174   HD11  LEU  79          HD11      LEU  79   0.709  -1.492   2.945
  175   HD12  LEU  79          HD12      LEU  79  -0.823  -2.113   3.560
  176   HD13  LEU  79          HD13      LEU  79  -0.443  -0.397   3.713
  177   HD21  LEU  79          HD21      LEU  79  -1.305  -3.070   1.261
  178   HD22  LEU  79          HD22      LEU  79   0.231  -2.419   0.688
  179   HD23  LEU  79          HD23      LEU  79  -1.269  -1.996  -0.137
  180    H    ARG  80           HN       ARG  80  -4.760   1.498   0.598
  181    HA   ARG  80           HA       ARG  80  -7.077   0.452   1.837
  182    HB2  ARG  80           HB2      ARG  80  -6.766   2.874   1.662
  183    HB3  ARG  80           HB1      ARG  80  -6.856   2.777  -0.096
  184    HG2  ARG  80           HG2      ARG  80  -9.160   1.882   0.122
  185    HG3  ARG  80           HG1      ARG  80  -9.054   2.133   1.860
  186    HD2  ARG  80           HD2      ARG  80  -8.812   4.519   1.529
  187    HD3  ARG  80           HD1      ARG  80  -8.813   4.296  -0.224
  188    HE   ARG  80           HE       ARG  80 -11.136   3.178   1.017
  189   HH11  ARG  80          HH11      ARG  80  -9.738   6.171  -0.148
  190   HH12  ARG  80          HH12      ARG  80 -11.283   6.920  -0.443
  191   HH21  ARG  80          HH21      ARG  80 -13.145   4.146   0.622
  192   HH22  ARG  80          HH22      ARG  80 -13.222   5.762  -0.016
  193    H    ILE  81           HN       ILE  81  -6.027   0.689  -1.510
  194    HA   ILE  81           HA       ILE  81  -8.360  -0.384  -2.700
  195    HB   ILE  81           HB       ILE  81  -5.520  -0.611  -3.719
  196   HG12  ILE  81          HG12      ILE  81  -7.544   1.567  -4.272
  197   HG13  ILE  81          HG11      ILE  81  -6.189   1.731  -3.161
  198   HG21  ILE  81          HG21      ILE  81  -8.170  -0.676  -5.160
  199   HG22  ILE  81          HG22      ILE  81  -7.098  -2.049  -4.889
  200   HG23  ILE  81          HG23      ILE  81  -6.584  -0.722  -5.929
  201   HD11  ILE  81          HD11      ILE  81  -5.996   1.231  -6.122
  202   HD12  ILE  81          HD12      ILE  81  -4.634   1.395  -5.012
  203   HD13  ILE  81          HD13      ILE  81  -5.706   2.765  -5.300
  204    H    HIS  82           HN       HIS  82  -5.441  -1.781  -1.352
  205    HA   HIS  82           HA       HIS  82  -5.912  -4.466  -2.102
  206    HB2  HIS  82           HB2      HIS  82  -4.112  -3.047  -0.212
  207    HB3  HIS  82           HB1      HIS  82  -4.356  -4.769   0.074
  208    HD1  HIS  82           HD1      HIS  82  -3.785  -6.322  -2.157
  209    HD2  HIS  82           HD2      HIS  82  -2.223  -2.469  -2.018
  210    HE1  HIS  82           HE1      HIS  82  -1.790  -6.279  -3.746
  211    H    SER  83           HN       SER  83  -6.955  -2.540   0.632
  212    HA   SER  83           HA       SER  83  -7.998  -4.879   2.002
  213    HB2  SER  83           HB2      SER  83  -6.911  -3.238   3.390
  214    HB3  SER  83           HB1      SER  83  -7.923  -1.949   2.745
  215    HG   SER  83           HG       SER  83  -9.002  -4.183   4.117
  216    H    GLY  84           HN       GLY  84  -9.286  -1.798   0.760
  217    HA2  GLY  84           HA2      GLY  84 -11.403  -1.682  -0.379
  218    HA3  GLY  84           HA1      GLY  84 -11.923  -3.094   0.533
  219    H    GLU  85           HN       GLU  85 -10.548  -1.785   2.930
  220    HA   GLU  85           HA       GLU  85 -12.922  -0.512   3.886
  221    HB2  GLU  85           HB2      GLU  85 -10.339  -1.345   5.190
  222    HB3  GLU  85           HB1      GLU  85 -11.577  -0.432   6.048
  223    HG2  GLU  85           HG2      GLU  85 -11.968  -3.126   4.753
  224    HG3  GLU  85           HG1      GLU  85 -11.749  -2.832   6.480
  225    H    LYS  86           HN       LYS  86 -12.870   1.448   5.017
  226    HA   LYS  86           HA       LYS  86 -11.219   3.414   3.603
  227    HB2  LYS  86           HB2      LYS  86 -13.170   4.978   4.054
  228    HB3  LYS  86           HB1      LYS  86 -13.448   3.694   2.890
  229    HG2  LYS  86           HG2      LYS  86 -14.207   2.749   5.469
  230    HG3  LYS  86           HG1      LYS  86 -14.943   4.330   5.202
  231    HD2  LYS  86           HD2      LYS  86 -16.500   2.813   4.332
  232    HD3  LYS  86           HD1      LYS  86 -15.642   3.418   2.917
  233    HE2  LYS  86           HE2      LYS  86 -15.720   1.136   2.527
  234    HE3  LYS  86           HE1      LYS  86 -14.122   1.355   3.237
  235    HZ1  LYS  86           HZ1      LYS  86 -16.555   0.240   4.504
  236    HZ2  LYS  86           HZ2      LYS  86 -15.246   0.783   5.430
  237    HZ3  LYS  86           HZ3      LYS  86 -15.032  -0.493   4.329
  Start of MODEL    3
    1    H1   GLY  58           HT1      GLY  58  10.937   6.912   1.721
    2    H2   GLY  58           HT2      GLY  58  10.361   8.246   2.592
    3    H3   GLY  58           HT3      GLY  58   9.340   7.432   1.511
    4    HA2  GLY  58           HA1      GLY  58  10.498   6.230   3.967
    5    HA3  GLY  58           HA2      GLY  58   8.859   6.876   3.836
    6    HA   PRO  59           HA       PRO  59   9.319   2.852   1.030
    7    HB2  PRO  59           HB2      PRO  59  11.060   1.431   2.975
    8    HB3  PRO  59           HB1      PRO  59  11.044   1.353   1.209
    9    HG2  PRO  59           HG2      PRO  59  12.965   2.681   2.483
   10    HG3  PRO  59           HG1      PRO  59  12.265   3.308   0.979
   11    HD2  PRO  59           HD2      PRO  59  11.774   4.167   3.799
   12    HD3  PRO  59           HD1      PRO  59  11.906   5.149   2.325
   13    H    LEU  60           HN       LEU  60   7.353   2.190   1.434
   14    HA   LEU  60           HA       LEU  60   6.793   0.937   4.022
   15    HB2  LEU  60           HB2      LEU  60   4.904   2.378   2.176
   16    HB3  LEU  60           HB1      LEU  60   4.379   1.424   3.556
   17    HG   LEU  60           HG       LEU  60   6.037   3.944   3.629
   18   HD11  LEU  60          HD11      LEU  60   4.118   4.875   4.798
   19   HD12  LEU  60          HD12      LEU  60   3.264   3.340   4.640
   20   HD13  LEU  60          HD13      LEU  60   3.658   4.283   3.203
   21   HD21  LEU  60          HD21      LEU  60   5.143   2.176   5.906
   22   HD22  LEU  60          HD22      LEU  60   5.929   3.749   6.065
   23   HD23  LEU  60          HD23      LEU  60   6.802   2.395   5.347
   24    H    LYS  61           HN       LYS  61   6.125  -1.084   4.096
   25    HA   LYS  61           HA       LYS  61   6.589  -2.598   1.688
   26    HB2  LYS  61           HB2      LYS  61   7.518  -3.177   3.942
   27    HB3  LYS  61           HB1      LYS  61   5.888  -3.572   4.461
   28    HG2  LYS  61           HG2      LYS  61   6.916  -5.612   3.921
   29    HG3  LYS  61           HG1      LYS  61   5.827  -5.251   2.581
   30    HD2  LYS  61           HD2      LYS  61   7.721  -4.371   1.292
   31    HD3  LYS  61           HD1      LYS  61   8.805  -4.756   2.630
   32    HE2  LYS  61           HE2      LYS  61   7.176  -6.713   1.020
   33    HE3  LYS  61           HE1      LYS  61   8.918  -6.469   0.920
   34    HZ1  LYS  61           HZ1      LYS  61   7.421  -7.486   3.279
   35    HZ2  LYS  61           HZ2      LYS  61   9.093  -7.192   3.240
   36    HZ3  LYS  61           HZ3      LYS  61   8.418  -8.391   2.254
   37    H    CYS  62           HN       CYS  62   5.071  -3.466   0.390
   38    HA   CYS  62           HA       CYS  62   2.330  -3.698   1.380
   39    HB2  CYS  62           HB2      CYS  62   2.582  -2.716  -0.867
   40    HB3  CYS  62           HB1      CYS  62   3.468  -4.142  -1.416
   41    H    ARG  63           HN       ARG  63   1.744  -5.607   2.226
   42    HA   ARG  63           HA       ARG  63   3.639  -7.751   2.302
   43    HB2  ARG  63           HB2      ARG  63   0.768  -7.862   3.219
   44    HB3  ARG  63           HB1      ARG  63   2.094  -8.883   3.746
   45    HG2  ARG  63           HG2      ARG  63   2.042  -7.506   5.522
   46    HG3  ARG  63           HG1      ARG  63   3.057  -6.499   4.487
   47    HD2  ARG  63           HD2      ARG  63   1.178  -5.272   5.569
   48    HD3  ARG  63           HD1      ARG  63   1.171  -5.182   3.810
   49    HE   ARG  63           HE       ARG  63  -0.624  -6.824   3.810
   50   HH11  ARG  63          HH11      ARG  63   0.115  -5.270   6.861
   51   HH12  ARG  63          HH12      ARG  63  -1.448  -5.596   7.551
   52   HH21  ARG  63          HH21      ARG  63  -2.678  -7.250   4.713
   53   HH22  ARG  63          HH22      ARG  63  -3.037  -6.722   6.331
   54    H    GLU  64           HN       GLU  64   0.571  -7.136   0.740
   55    HA   GLU  64           HA       GLU  64   0.113  -9.749  -0.222
   56    HB2  GLU  64           HB2      GLU  64  -0.918  -7.074  -1.194
   57    HB3  GLU  64           HB1      GLU  64  -1.525  -8.632  -1.750
   58    HG2  GLU  64           HG2      GLU  64  -2.995  -7.641  -0.086
   59    HG3  GLU  64           HG1      GLU  64  -2.299  -9.152   0.496
   60    H    CYS  65           HN       CYS  65   1.799  -6.971  -1.547
   61    HA   CYS  65           HA       CYS  65   2.280  -8.365  -4.063
   62    HB2  CYS  65           HB2      CYS  65   2.925  -5.594  -3.079
   63    HB3  CYS  65           HB1      CYS  65   3.480  -6.209  -4.645
   64    H    GLY  66           HN       GLY  66   4.048  -7.072  -1.283
   65    HA2  GLY  66           HA2      GLY  66   5.923  -8.187  -0.335
   66    HA3  GLY  66           HA1      GLY  66   6.229  -8.955  -1.895
   67    H    LYS  67           HN       LYS  67   5.441  -5.743  -2.198
   68    HA   LYS  67           HA       LYS  67   8.222  -4.967  -2.603
   69    HB2  LYS  67           HB2      LYS  67   7.248  -3.273  -4.181
   70    HB3  LYS  67           HB1      LYS  67   7.054  -4.955  -4.682
   71    HG2  LYS  67           HG2      LYS  67   4.755  -4.822  -3.581
   72    HG3  LYS  67           HG1      LYS  67   4.996  -3.073  -3.601
   73    HD2  LYS  67           HD2      LYS  67   5.471  -4.644  -6.076
   74    HD3  LYS  67           HD1      LYS  67   3.813  -4.287  -5.594
   75    HE2  LYS  67           HE2      LYS  67   4.314  -1.908  -5.580
   76    HE3  LYS  67           HE1      LYS  67   5.996  -2.250  -6.010
   77    HZ1  LYS  67           HZ1      LYS  67   4.604  -1.602  -7.930
   78    HZ2  LYS  67           HZ2      LYS  67   3.658  -2.989  -7.691
   79    HZ3  LYS  67           HZ3      LYS  67   5.294  -3.142  -8.105
   80    H    GLN  68           HN       GLN  68   8.046  -2.346  -2.693
   81    HA   GLN  68           HA       GLN  68   6.739  -1.416  -0.258
   82    HB2  GLN  68           HB2      GLN  68   8.854  -0.291   0.474
   83    HB3  GLN  68           HB1      GLN  68   8.879  -2.051   0.588
   84    HG2  GLN  68           HG2      GLN  68  10.232  -2.216  -1.378
   85    HG3  GLN  68           HG1      GLN  68  10.067  -0.489  -1.695
   86   HE21  GLN  68          HE21      GLN  68  10.448  -1.608   1.559
   87   HE22  GLN  68          HE22      GLN  68  12.097  -1.089   1.756
   88    H    PHE  69           HN       PHE  69   6.640   0.901  -0.050
   89    HA   PHE  69           HA       PHE  69   6.944   2.263  -2.661
   90    HB2  PHE  69           HB2      PHE  69   4.665   2.307  -0.711
   91    HB3  PHE  69           HB1      PHE  69   4.954   3.686  -1.776
   92    HD1  PHE  69           HD1      PHE  69   4.205   0.063  -1.721
   93    HD2  PHE  69           HD2      PHE  69   4.324   3.637  -4.022
   94    HE1  PHE  69           HE1      PHE  69   2.979  -1.063  -3.529
   95    HE2  PHE  69           HE2      PHE  69   3.095   2.518  -5.833
   96    HZ   PHE  69           HZ       PHE  69   2.421   0.165  -5.586
   97    H    THR  70           HN       THR  70   8.098   4.045  -2.662
   98    HA   THR  70           HA       THR  70   9.433   4.961  -0.342
   99    HB   THR  70           HB       THR  70  10.371   5.065  -2.644
  100    HG1  THR  70           HG1      THR  70  11.489   6.367  -1.343
  101   HG21  THR  70          HG21      THR  70   8.410   5.805  -3.867
  102   HG22  THR  70          HG22      THR  70   9.734   6.948  -4.104
  103   HG23  THR  70          HG23      THR  70   8.417   7.339  -2.997
  104    H    THR  71           HN       THR  71   6.340   5.674  -1.553
  105    HA   THR  71           HA       THR  71   6.275   8.245  -0.112
  106    HB   THR  71           HB       THR  71   4.396   7.318  -2.296
  107    HG1  THR  71           HG1      THR  71   6.770   7.821  -2.763
  108   HG21  THR  71          HG21      THR  71   3.440   8.997  -0.778
  109   HG22  THR  71          HG22      THR  71   3.725   9.672  -2.382
  110   HG23  THR  71          HG23      THR  71   4.833  10.043  -1.062
  111    H    SER  72           HN       SER  72   4.957   8.440   1.579
  112    HA   SER  72           HA       SER  72   3.977   6.075   2.790
  113    HB2  SER  72           HB2      SER  72   3.455   8.915   3.673
  114    HB3  SER  72           HB1      SER  72   3.474   7.462   4.675
  115    HG   SER  72           HG       SER  72   5.597   7.491   4.715
  116    H    GLY  73           HN       GLY  73   2.261   9.010   1.670
  117    HA2  GLY  73           HA2      GLY  73  -0.316   7.975   2.300
  118    HA3  GLY  73           HA1      GLY  73   0.018   9.369   1.283
  119    H    ASN  74           HN       ASN  74   1.738   7.755  -0.491
  120    HA   ASN  74           HA       ASN  74  -0.233   6.917  -2.342
  121    HB2  ASN  74           HB2      ASN  74   2.092   7.711  -2.926
  122    HB3  ASN  74           HB1      ASN  74   2.694   6.155  -2.359
  123   HD21  ASN  74          HD21      ASN  74   0.934   7.825  -4.822
  124   HD22  ASN  74          HD22      ASN  74   0.900   6.525  -5.968
  125    H    LEU  75           HN       LEU  75   1.967   5.156  -0.190
  126    HA   LEU  75           HA       LEU  75   1.082   2.566  -0.927
  127    HB2  LEU  75           HB2      LEU  75   3.239   3.130   0.238
  128    HB3  LEU  75           HB1      LEU  75   2.297   3.434   1.690
  129    HG   LEU  75           HG       LEU  75   3.535   1.166   1.384
  130   HD11  LEU  75          HD11      LEU  75   2.135   1.729   3.276
  131   HD12  LEU  75          HD12      LEU  75   1.832   0.071   2.756
  132   HD13  LEU  75          HD13      LEU  75   0.687   1.348   2.345
  133   HD21  LEU  75          HD21      LEU  75   0.969   0.638  -0.106
  134   HD22  LEU  75          HD22      LEU  75   2.134  -0.578   0.417
  135   HD23  LEU  75          HD23      LEU  75   2.593   0.619  -0.795
  136    H    LYS  76           HN       LYS  76   0.111   4.838   1.613
  137    HA   LYS  76           HA       LYS  76  -1.710   3.140   2.911
  138    HB2  LYS  76           HB2      LYS  76  -1.448   6.119   2.724
  139    HB3  LYS  76           HB1      LYS  76  -2.843   5.407   3.521
  140    HG2  LYS  76           HG2      LYS  76  -0.119   4.511   4.328
  141    HG3  LYS  76           HG1      LYS  76  -0.699   6.086   4.872
  142    HD2  LYS  76           HD2      LYS  76  -1.203   4.422   6.549
  143    HD3  LYS  76           HD1      LYS  76  -2.703   4.983   5.817
  144    HE2  LYS  76           HE2      LYS  76  -2.733   2.983   4.388
  145    HE3  LYS  76           HE1      LYS  76  -1.257   2.418   5.165
  146    HZ1  LYS  76           HZ1      LYS  76  -3.857   2.883   6.525
  147    HZ2  LYS  76           HZ2      LYS  76  -2.443   2.306   7.264
  148    HZ3  LYS  76           HZ3      LYS  76  -3.230   1.371   6.090
  149    H    ARG  77           HN       ARG  77  -2.172   5.434   0.248
  150    HA   ARG  77           HA       ARG  77  -4.912   4.877  -0.156
  151    HB2  ARG  77           HB2      ARG  77  -3.891   6.858  -1.054
  152    HB3  ARG  77           HB1      ARG  77  -2.751   5.906  -1.992
  153    HG2  ARG  77           HG2      ARG  77  -4.441   5.189  -3.485
  154    HG3  ARG  77           HG1      ARG  77  -5.720   5.815  -2.438
  155    HD2  ARG  77           HD2      ARG  77  -3.600   7.522  -3.715
  156    HD3  ARG  77           HD1      ARG  77  -5.200   7.256  -4.412
  157    HE   ARG  77           HE       ARG  77  -5.677   8.105  -1.860
  158   HH11  ARG  77          HH11      ARG  77  -3.912   9.413  -4.593
  159   HH12  ARG  77          HH12      ARG  77  -4.248  11.065  -4.163
  160   HH21  ARG  77          HH21      ARG  77  -6.113  10.258  -1.307
  161   HH22  ARG  77          HH22      ARG  77  -5.534  11.548  -2.318
  162    H    HIS  78           HN       HIS  78  -1.960   3.445  -1.420
  163    HA   HIS  78           HA       HIS  78  -3.134   1.736  -3.311
  164    HB2  HIS  78           HB2      HIS  78  -0.776   2.224  -3.383
  165    HB3  HIS  78           HB1      HIS  78  -0.538   1.545  -1.771
  166    HD1  HIS  78           HD1      HIS  78  -1.544   0.374  -5.254
  167    HD2  HIS  78           HD2      HIS  78   0.200  -1.028  -1.753
  168    HE1  HIS  78           HE1      HIS  78  -0.828  -1.994  -5.729
  169    H    LEU  79           HN       LEU  79  -2.225   1.156   0.089
  170    HA   LEU  79           HA       LEU  79  -3.169  -1.542   0.002
  171    HB2  LEU  79           HB2      LEU  79  -2.450   0.198   2.358
  172    HB3  LEU  79           HB1      LEU  79  -2.839  -1.515   2.460
  173    HG   LEU  79           HG       LEU  79  -0.414  -0.215   1.237
  174   HD11  LEU  79          HD11      LEU  79  -0.789  -2.417   3.267
  175   HD12  LEU  79          HD12      LEU  79  -0.340  -0.744   3.613
  176   HD13  LEU  79          HD13      LEU  79   0.757  -1.784   2.702
  177   HD21  LEU  79          HD21      LEU  79  -1.309  -3.071   0.855
  178   HD22  LEU  79          HD22      LEU  79   0.254  -2.405   0.381
  179   HD23  LEU  79          HD23      LEU  79  -1.221  -1.833  -0.397
  180    H    ARG  80           HN       ARG  80  -4.623   1.527   0.618
  181    HA   ARG  80           HA       ARG  80  -6.979   0.764   1.913
  182    HB2  ARG  80           HB2      ARG  80  -6.442   3.107   1.421
  183    HB3  ARG  80           HB1      ARG  80  -6.571   2.798  -0.302
  184    HG2  ARG  80           HG2      ARG  80  -8.608   3.703   0.015
  185    HG3  ARG  80           HG1      ARG  80  -9.018   2.041   0.429
  186    HD2  ARG  80           HD2      ARG  80  -8.333   4.256   2.356
  187    HD3  ARG  80           HD1      ARG  80  -9.932   3.580   2.066
  188    HE   ARG  80           HE       ARG  80  -7.725   1.995   3.206
  189   HH11  ARG  80          HH11      ARG  80 -11.075   3.052   3.199
  190   HH12  ARG  80          HH12      ARG  80 -11.520   2.038   4.541
  191   HH21  ARG  80          HH21      ARG  80  -8.313   0.676   4.964
  192   HH22  ARG  80          HH22      ARG  80  -9.958   0.681   5.538
  193    H    ILE  81           HN       ILE  81  -6.114   0.750  -1.515
  194    HA   ILE  81           HA       ILE  81  -8.526  -0.404  -2.453
  195    HB   ILE  81           HB       ILE  81  -5.803  -0.524  -3.764
  196   HG12  ILE  81          HG12      ILE  81  -7.976   1.568  -4.050
  197   HG13  ILE  81          HG11      ILE  81  -6.469   1.792  -3.170
  198   HG21  ILE  81          HG21      ILE  81  -7.406  -2.041  -4.770
  199   HG22  ILE  81          HG22      ILE  81  -7.105  -0.681  -5.853
  200   HG23  ILE  81          HG23      ILE  81  -8.589  -0.741  -4.902
  201   HD11  ILE  81          HD11      ILE  81  -6.354   2.832  -5.347
  202   HD12  ILE  81          HD12      ILE  81  -6.751   1.300  -6.123
  203   HD13  ILE  81          HD13      ILE  81  -5.225   1.479  -5.259
  204    H    HIS  82           HN       HIS  82  -5.420  -1.747  -1.434
  205    HA   HIS  82           HA       HIS  82  -5.874  -4.429  -2.137
  206    HB2  HIS  82           HB2      HIS  82  -4.070  -3.019  -0.252
  207    HB3  HIS  82           HB1      HIS  82  -4.319  -4.738   0.036
  208    HD1  HIS  82           HD1      HIS  82  -3.706  -6.321  -2.137
  209    HD2  HIS  82           HD2      HIS  82  -2.189  -2.450  -2.064
  210    HE1  HIS  82           HE1      HIS  82  -1.687  -6.288  -3.700
  211    H    SER  83           HN       SER  83  -6.946  -2.533   0.584
  212    HA   SER  83           HA       SER  83  -7.813  -4.803   2.124
  213    HB2  SER  83           HB2      SER  83  -8.445  -1.861   2.478
  214    HB3  SER  83           HB1      SER  83  -8.722  -3.135   3.668
  215    HG   SER  83           HG       SER  83  -6.164  -2.495   2.596
  216    H    GLY  84           HN       GLY  84  -9.094  -2.990  -0.454
  217    HA2  GLY  84           HA2      GLY  84 -11.079  -3.254  -1.599
  218    HA3  GLY  84           HA1      GLY  84 -11.535  -4.496  -0.440
  219    H    GLU  85           HN       GLU  85 -10.573  -1.512   0.881
  220    HA   GLU  85           HA       GLU  85 -13.376  -0.893   1.493
  221    HB2  GLU  85           HB2      GLU  85 -10.884  -0.455   3.145
  222    HB3  GLU  85           HB1      GLU  85 -12.470   0.166   3.569
  223    HG2  GLU  85           HG2      GLU  85 -11.759  -2.742   3.282
  224    HG3  GLU  85           HG1      GLU  85 -11.879  -1.863   4.804
  225    H    LYS  86           HN       LYS  86 -14.066   1.148   1.165
  226    HA   LYS  86           HA       LYS  86 -12.101   3.074   0.122
  227    HB2  LYS  86           HB2      LYS  86 -15.090   2.962  -0.352
  228    HB3  LYS  86           HB1      LYS  86 -13.982   4.136  -1.049
  229    HG2  LYS  86           HG2      LYS  86 -12.848   2.380  -2.277
  230    HG3  LYS  86           HG1      LYS  86 -13.887   1.165  -1.534
  231    HD2  LYS  86           HD2      LYS  86 -14.656   1.676  -3.780
  232    HD3  LYS  86           HD1      LYS  86 -15.844   2.215  -2.592
  233    HE2  LYS  86           HE2      LYS  86 -14.990   4.501  -2.780
  234    HE3  LYS  86           HE1      LYS  86 -13.795   3.959  -3.956
  235    HZ1  LYS  86           HZ1      LYS  86 -15.754   4.976  -4.989
  236    HZ2  LYS  86           HZ2      LYS  86 -16.738   3.768  -4.322
  237    HZ3  LYS  86           HZ3      LYS  86 -15.554   3.361  -5.464
  Start of MODEL    4
    1    H1   GLY  58           HT1      GLY  58   9.893   7.327   5.014
    2    H2   GLY  58           HT2      GLY  58   8.505   6.453   4.577
    3    H3   GLY  58           HT3      GLY  58   9.301   7.417   3.433
    4    HA2  GLY  58           HA1      GLY  58  11.204   6.004   3.417
    5    HA3  GLY  58           HA2      GLY  58  10.530   5.064   4.751
    6    HA   PRO  59           HA       PRO  59   9.116   3.186   0.650
    7    HB2  PRO  59           HB2      PRO  59  10.780   1.013   0.765
    8    HB3  PRO  59           HB1      PRO  59  11.098   2.442  -0.223
    9    HG2  PRO  59           HG2      PRO  59  12.198   1.705   2.453
   10    HG3  PRO  59           HG1      PRO  59  13.021   2.445   1.068
   11    HD2  PRO  59           HD2      PRO  59  12.226   3.888   3.203
   12    HD3  PRO  59           HD1      PRO  59  12.216   4.557   1.558
   13    H    LEU  60           HN       LEU  60   7.325   2.280   1.274
   14    HA   LEU  60           HA       LEU  60   7.214   0.776   3.763
   15    HB2  LEU  60           HB2      LEU  60   5.050   2.052   2.119
   16    HB3  LEU  60           HB1      LEU  60   4.752   1.122   3.578
   17    HG   LEU  60           HG       LEU  60   6.265   3.724   3.388
   18   HD11  LEU  60          HD11      LEU  60   4.430   4.620   4.684
   19   HD12  LEU  60          HD12      LEU  60   3.657   3.036   4.728
   20   HD13  LEU  60          HD13      LEU  60   3.819   3.895   3.195
   21   HD21  LEU  60          HD21      LEU  60   6.409   3.609   5.825
   22   HD22  LEU  60          HD22      LEU  60   7.266   2.265   5.069
   23   HD23  LEU  60          HD23      LEU  60   5.680   2.002   5.795
   24    H    LYS  61           HN       LYS  61   6.800  -1.309   3.860
   25    HA   LYS  61           HA       LYS  61   6.904  -2.765   1.372
   26    HB2  LYS  61           HB2      LYS  61   8.183  -3.238   3.560
   27    HB3  LYS  61           HB1      LYS  61   6.679  -3.941   4.132
   28    HG2  LYS  61           HG2      LYS  61   7.861  -5.768   3.363
   29    HG3  LYS  61           HG1      LYS  61   6.801  -5.388   2.005
   30    HD2  LYS  61           HD2      LYS  61   8.590  -4.266   0.854
   31    HD3  LYS  61           HD1      LYS  61   9.655  -4.443   2.250
   32    HE2  LYS  61           HE2      LYS  61   9.443  -6.921   1.995
   33    HE3  LYS  61           HE1      LYS  61   8.561  -6.639   0.496
   34    HZ1  LYS  61           HZ1      LYS  61  11.368  -5.852   1.069
   35    HZ2  LYS  61           HZ2      LYS  61  10.534  -5.474  -0.356
   36    HZ3  LYS  61           HZ3      LYS  61  10.858  -7.092   0.031
   37    H    CYS  62           HN       CYS  62   5.118  -3.301   0.302
   38    HA   CYS  62           HA       CYS  62   2.554  -3.503   1.595
   39    HB2  CYS  62           HB2      CYS  62   2.642  -2.680  -0.709
   40    HB3  CYS  62           HB1      CYS  62   3.411  -4.175  -1.250
   41    H    ARG  63           HN       ARG  63   2.058  -5.204   2.767
   42    HA   ARG  63           HA       ARG  63   3.532  -7.578   2.888
   43    HB2  ARG  63           HB2      ARG  63   2.203  -6.810   4.744
   44    HB3  ARG  63           HB1      ARG  63   0.729  -6.914   3.794
   45    HG2  ARG  63           HG2      ARG  63   1.019  -9.361   3.681
   46    HG3  ARG  63           HG1      ARG  63   2.436  -9.212   4.725
   47    HD2  ARG  63           HD2      ARG  63   1.092  -8.281   6.493
   48    HD3  ARG  63           HD1      ARG  63  -0.330  -8.260   5.450
   49    HE   ARG  63           HE       ARG  63   0.873 -10.868   5.837
   50   HH11  ARG  63          HH11      ARG  63  -1.474  -8.537   6.975
   51   HH12  ARG  63          HH12      ARG  63  -2.469  -9.721   7.774
   52   HH21  ARG  63          HH21      ARG  63  -0.430 -12.445   6.887
   53   HH22  ARG  63          HH22      ARG  63  -1.874 -11.944   7.711
   54    H    GLU  64           HN       GLU  64   0.648  -6.741   1.073
   55    HA   GLU  64           HA       GLU  64   0.055  -9.429   0.304
   56    HB2  GLU  64           HB2      GLU  64  -0.968  -6.771  -0.706
   57    HB3  GLU  64           HB1      GLU  64  -1.577  -8.331  -1.258
   58    HG2  GLU  64           HG2      GLU  64  -3.054  -7.405   0.396
   59    HG3  GLU  64           HG1      GLU  64  -2.277  -8.851   1.036
   60    H    CYS  65           HN       CYS  65   1.823  -6.758  -1.189
   61    HA   CYS  65           HA       CYS  65   2.056  -8.249  -3.690
   62    HB2  CYS  65           HB2      CYS  65   2.845  -5.487  -2.836
   63    HB3  CYS  65           HB1      CYS  65   3.329  -6.159  -4.396
   64    H    GLY  66           HN       GLY  66   4.043  -6.995  -1.067
   65    HA2  GLY  66           HA2      GLY  66   6.031  -8.029  -0.313
   66    HA3  GLY  66           HA1      GLY  66   6.207  -8.806  -1.890
   67    H    LYS  67           HN       LYS  67   5.326  -5.742  -2.515
   68    HA   LYS  67           HA       LYS  67   8.081  -4.860  -2.864
   69    HB2  LYS  67           HB2      LYS  67   7.218  -3.362  -4.589
   70    HB3  LYS  67           HB1      LYS  67   6.794  -5.038  -4.932
   71    HG2  LYS  67           HG2      LYS  67   4.596  -4.218  -3.578
   72    HG3  LYS  67           HG1      LYS  67   5.082  -2.722  -4.389
   73    HD2  LYS  67           HD2      LYS  67   5.274  -4.111  -6.504
   74    HD3  LYS  67           HD1      LYS  67   4.446  -5.392  -5.611
   75    HE2  LYS  67           HE2      LYS  67   2.565  -3.878  -5.211
   76    HE3  LYS  67           HE1      LYS  67   3.380  -2.622  -6.142
   77    HZ1  LYS  67           HZ1      LYS  67   2.558  -5.273  -7.210
   78    HZ2  LYS  67           HZ2      LYS  67   3.274  -4.017  -8.097
   79    HZ3  LYS  67           HZ3      LYS  67   1.720  -3.823  -7.455
   80    H    GLN  68           HN       GLN  68   7.756  -2.218  -3.053
   81    HA   GLN  68           HA       GLN  68   6.577  -1.319  -0.571
   82    HB2  GLN  68           HB2      GLN  68   8.733  -0.443   0.288
   83    HB3  GLN  68           HB1      GLN  68   8.634  -2.201   0.264
   84    HG2  GLN  68           HG2      GLN  68   9.871  -2.035  -1.977
   85    HG3  GLN  68           HG1      GLN  68  10.243  -0.383  -1.483
   86   HE21  GLN  68          HE21      GLN  68  11.523  -0.044   0.367
   87   HE22  GLN  68          HE22      GLN  68  12.561  -1.296   0.990
   88    H    PHE  69           HN       PHE  69   6.812   1.020  -0.221
   89    HA   PHE  69           HA       PHE  69   6.939   2.422  -2.811
   90    HB2  PHE  69           HB2      PHE  69   4.639   2.226  -0.899
   91    HB3  PHE  69           HB1      PHE  69   4.832   3.660  -1.915
   92    HD1  PHE  69           HD2      PHE  69   4.621   3.489  -4.334
   93    HD2  PHE  69           HD1      PHE  69   4.019   0.127  -1.805
   94    HE1  PHE  69           HE2      PHE  69   3.556   2.293  -6.199
   95    HE2  PHE  69           HE1      PHE  69   2.948  -1.083  -3.668
   96    HZ   PHE  69           HZ       PHE  69   2.642   0.057  -5.855
   97    H    THR  70           HN       THR  70   7.589   4.489  -2.751
   98    HA   THR  70           HA       THR  70   9.213   5.176  -0.528
   99    HB   THR  70           HB       THR  70   8.595   7.058  -2.780
  100    HG1  THR  70           HG1      THR  70   9.755   5.853  -4.162
  101   HG21  THR  70          HG21      THR  70  10.078   7.789  -1.002
  102   HG22  THR  70          HG22      THR  70  10.978   7.570  -2.504
  103   HG23  THR  70          HG23      THR  70  11.074   6.352  -1.225
  104    H    THR  71           HN       THR  71   6.087   6.260  -1.719
  105    HA   THR  71           HA       THR  71   6.046   8.375   0.321
  106    HB   THR  71           HB       THR  71   4.037   7.885  -1.889
  107    HG1  THR  71           HG1      THR  71   6.479   9.289  -1.815
  108   HG21  THR  71          HG21      THR  71   3.397  10.221  -1.447
  109   HG22  THR  71          HG22      THR  71   4.555  10.281  -0.119
  110   HG23  THR  71          HG23      THR  71   3.163   9.201  -0.028
  111    H    SER  72           HN       SER  72   4.882   8.200   2.089
  112    HA   SER  72           HA       SER  72   3.799   5.725   2.875
  113    HB2  SER  72           HB2      SER  72   4.812   7.407   4.412
  114    HB3  SER  72           HB1      SER  72   3.402   8.437   4.166
  115    HG   SER  72           HG       SER  72   2.912   7.329   5.958
  116    H    GLY  73           HN       GLY  73   2.251   8.802   1.984
  117    HA2  GLY  73           HA2      GLY  73  -0.416   7.911   2.317
  118    HA3  GLY  73           HA1      GLY  73   0.095   9.268   1.322
  119    H    ASN  74           HN       ASN  74   1.854   7.608  -0.322
  120    HA   ASN  74           HA       ASN  74  -0.021   6.822  -2.299
  121    HB2  ASN  74           HB2      ASN  74   2.396   7.592  -2.673
  122    HB3  ASN  74           HB1      ASN  74   2.868   5.955  -2.220
  123   HD21  ASN  74          HD21      ASN  74   2.362   4.244  -3.590
  124   HD22  ASN  74          HD22      ASN  74   1.895   4.491  -5.237
  125    H    LEU  75           HN       LEU  75   2.079   5.022  -0.084
  126    HA   LEU  75           HA       LEU  75   1.192   2.442  -0.880
  127    HB2  LEU  75           HB2      LEU  75   3.323   3.040   0.400
  128    HB3  LEU  75           HB1      LEU  75   2.295   3.202   1.816
  129    HG   LEU  75           HG       LEU  75   3.633   0.980   1.306
  130   HD11  LEU  75          HD11      LEU  75   2.316   1.398   3.294
  131   HD12  LEU  75          HD12      LEU  75   1.984  -0.219   2.673
  132   HD13  LEU  75          HD13      LEU  75   0.828   1.085   2.402
  133   HD21  LEU  75          HD21      LEU  75   2.565   0.597  -0.870
  134   HD22  LEU  75          HD22      LEU  75   0.996   0.502  -0.073
  135   HD23  LEU  75          HD23      LEU  75   2.233  -0.708   0.268
  136    H    LYS  76           HN       LYS  76   0.137   4.771   1.540
  137    HA   LYS  76           HA       LYS  76  -1.700   3.114   2.881
  138    HB2  LYS  76           HB2      LYS  76  -0.941   5.328   3.715
  139    HB3  LYS  76           HB1      LYS  76  -1.871   6.106   2.447
  140    HG2  LYS  76           HG2      LYS  76  -3.136   6.281   4.432
  141    HG3  LYS  76           HG1      LYS  76  -3.925   5.053   3.444
  142    HD2  LYS  76           HD2      LYS  76  -1.887   4.173   5.424
  143    HD3  LYS  76           HD1      LYS  76  -3.461   4.685   6.025
  144    HE2  LYS  76           HE2      LYS  76  -2.995   2.541   3.949
  145    HE3  LYS  76           HE1      LYS  76  -3.327   2.251   5.654
  146    HZ1  LYS  76           HZ1      LYS  76  -5.468   3.352   5.380
  147    HZ2  LYS  76           HZ2      LYS  76  -5.329   2.019   4.343
  148    HZ3  LYS  76           HZ3      LYS  76  -5.157   3.594   3.730
  149    H    ARG  77           HN       ARG  77  -2.142   5.381   0.183
  150    HA   ARG  77           HA       ARG  77  -4.842   4.774  -0.348
  151    HB2  ARG  77           HB2      ARG  77  -3.502   6.721  -1.246
  152    HB3  ARG  77           HB1      ARG  77  -2.763   5.600  -2.379
  153    HG2  ARG  77           HG2      ARG  77  -4.520   6.746  -3.503
  154    HG3  ARG  77           HG1      ARG  77  -5.036   5.076  -3.246
  155    HD2  ARG  77           HD2      ARG  77  -6.367   5.748  -1.337
  156    HD3  ARG  77           HD1      ARG  77  -5.789   7.408  -1.485
  157    HE   ARG  77           HE       ARG  77  -7.462   6.076  -3.533
  158   HH11  ARG  77          HH11      ARG  77  -6.579   8.890  -1.624
  159   HH12  ARG  77          HH12      ARG  77  -7.774   9.919  -2.367
  160   HH21  ARG  77          HH21      ARG  77  -9.044   7.422  -4.473
  161   HH22  ARG  77          HH22      ARG  77  -9.178   9.079  -3.969
  162    H    HIS  78           HN       HIS  78  -1.826   3.376  -1.485
  163    HA   HIS  78           HA       HIS  78  -2.845   1.564  -3.362
  164    HB2  HIS  78           HB2      HIS  78  -0.482   2.130  -3.228
  165    HB3  HIS  78           HB1      HIS  78  -0.366   1.437  -1.615
  166    HD1  HIS  78           HD1      HIS  78  -0.619   0.448  -5.243
  167    HD2  HIS  78           HD2      HIS  78   0.043  -1.264  -1.513
  168    HE1  HIS  78           HE1      HIS  78   0.213  -1.894  -5.680
  169    H    LEU  79           HN       LEU  79  -2.301   1.245   0.129
  170    HA   LEU  79           HA       LEU  79  -3.247  -1.452   0.209
  171    HB2  LEU  79           HB2      LEU  79  -2.716   0.567   2.378
  172    HB3  LEU  79           HB1      LEU  79  -3.294  -1.064   2.702
  173    HG   LEU  79           HG       LEU  79  -0.645  -0.266   1.493
  174   HD11  LEU  79          HD11      LEU  79  -1.395  -1.742   4.017
  175   HD12  LEU  79          HD12      LEU  79  -0.798  -0.086   3.920
  176   HD13  LEU  79          HD13      LEU  79   0.248  -1.429   3.458
  177   HD21  LEU  79          HD21      LEU  79  -0.153  -2.659   1.352
  178   HD22  LEU  79          HD22      LEU  79  -1.516  -2.227   0.319
  179   HD23  LEU  79          HD23      LEU  79  -1.802  -3.031   1.862
  180    H    ARG  80           HN       ARG  80  -4.778   1.647   0.263
  181    HA   ARG  80           HA       ARG  80  -7.226   0.938   1.453
  182    HB2  ARG  80           HB2      ARG  80  -6.857   3.245   1.002
  183    HB3  ARG  80           HB1      ARG  80  -6.531   2.941  -0.701
  184    HG2  ARG  80           HG2      ARG  80  -8.865   2.346  -1.050
  185    HG3  ARG  80           HG1      ARG  80  -9.196   2.602   0.665
  186    HD2  ARG  80           HD2      ARG  80  -8.765   4.932   0.484
  187    HD3  ARG  80           HD1      ARG  80  -8.099   4.750  -1.140
  188    HE   ARG  80           HE       ARG  80 -10.322   4.326  -1.949
  189   HH11  ARG  80          HH11      ARG  80 -10.151   5.453   1.359
  190   HH12  ARG  80          HH12      ARG  80 -11.793   6.020   1.392
  191   HH21  ARG  80          HH21      ARG  80 -12.470   5.093  -1.931
  192   HH22  ARG  80          HH22      ARG  80 -13.128   5.769  -0.467
  193    H    ILE  81           HN       ILE  81  -6.082   0.705  -1.888
  194    HA   ILE  81           HA       ILE  81  -8.352  -0.505  -3.010
  195    HB   ILE  81           HB       ILE  81  -5.458  -0.930  -3.790
  196   HG12  ILE  81          HG12      ILE  81  -6.060   1.447  -3.776
  197   HG13  ILE  81          HG11      ILE  81  -5.822   0.869  -5.420
  198   HG21  ILE  81          HG21      ILE  81  -6.981  -2.598  -4.744
  199   HG22  ILE  81          HG22      ILE  81  -6.313  -1.535  -5.983
  200   HG23  ILE  81          HG23      ILE  81  -7.970  -1.302  -5.420
  201   HD11  ILE  81          HD11      ILE  81  -8.220   0.753  -5.747
  202   HD12  ILE  81          HD12      ILE  81  -7.737   2.371  -5.230
  203   HD13  ILE  81          HD13      ILE  81  -8.486   1.263  -4.081
  204    H    HIS  82           HN       HIS  82  -5.439  -1.900  -1.556
  205    HA   HIS  82           HA       HIS  82  -6.050  -4.605  -1.847
  206    HB2  HIS  82           HB2      HIS  82  -4.353  -3.049   0.070
  207    HB3  HIS  82           HB1      HIS  82  -4.621  -4.769   0.366
  208    HD1  HIS  82           HD1      HIS  82  -3.782  -6.417  -1.629
  209    HD2  HIS  82           HD2      HIS  82  -2.450  -2.475  -1.766
  210    HE1  HIS  82           HE1      HIS  82  -1.758  -6.370  -3.182
  211    H    SER  83           HN       SER  83  -6.919  -2.348   0.727
  212    HA   SER  83           HA       SER  83  -8.119  -4.332   2.379
  213    HB2  SER  83           HB2      SER  83  -8.447  -1.326   2.451
  214    HB3  SER  83           HB1      SER  83  -8.862  -2.449   3.749
  215    HG   SER  83           HG       SER  83  -6.323  -1.685   2.780
  216    H    GLY  84           HN       GLY  84  -9.284  -2.213  -0.146
  217    HA2  GLY  84           HA2      GLY  84 -11.262  -2.512  -1.368
  218    HA3  GLY  84           HA1      GLY  84 -11.827  -3.634  -0.135
  219    H    GLU  85           HN       GLU  85 -10.545  -0.515   0.675
  220    HA   GLU  85           HA       GLU  85 -12.991   0.138   2.038
  221    HB2  GLU  85           HB2      GLU  85 -10.387   1.663   1.825
  222    HB3  GLU  85           HB1      GLU  85 -11.726   2.078   2.886
  223    HG2  GLU  85           HG2      GLU  85 -10.061  -0.424   3.012
  224    HG3  GLU  85           HG1      GLU  85  -9.975   0.949   4.114
  225    H    LYS  86           HN       LYS  86 -14.528   1.356   1.270
  226    HA   LYS  86           HA       LYS  86 -13.925   3.192  -0.942
  227    HB2  LYS  86           HB2      LYS  86 -16.231   3.066  -1.624
  228    HB3  LYS  86           HB1      LYS  86 -15.593   1.436  -1.483
  229    HG2  LYS  86           HG2      LYS  86 -16.733   1.123   0.616
  230    HG3  LYS  86           HG1      LYS  86 -17.282   2.801   0.600
  231    HD2  LYS  86           HD2      LYS  86 -18.479   2.305  -1.535
  232    HD3  LYS  86           HD1      LYS  86 -18.056   0.606  -1.315
  233    HE2  LYS  86           HE2      LYS  86 -19.701   2.294   0.568
  234    HE3  LYS  86           HE1      LYS  86 -20.315   1.051  -0.521
  235    HZ1  LYS  86           HZ1      LYS  86 -18.885  -0.552   0.712
  236    HZ2  LYS  86           HZ2      LYS  86 -20.150   0.107   1.622
  237    HZ3  LYS  86           HZ3      LYS  86 -18.569   0.670   1.846
  Start of MODEL    5
    1    H1   GLY  58           HT1      GLY  58   8.591   8.170   3.933
    2    H2   GLY  58           HT2      GLY  58   7.604   6.819   4.217
    3    H3   GLY  58           HT3      GLY  58   7.927   7.314   2.629
    4    HA2  GLY  58           HA1      GLY  58  10.219   6.728   2.825
    5    HA3  GLY  58           HA2      GLY  58   9.977   6.318   4.526
    6    HA   PRO  59           HA       PRO  59   9.847   2.497   1.662
    7    HB2  PRO  59           HB2      PRO  59  11.096   1.708   4.269
    8    HB3  PRO  59           HB1      PRO  59  11.428   1.104   2.641
    9    HG2  PRO  59           HG2      PRO  59  13.037   2.894   3.796
   10    HG3  PRO  59           HG1      PRO  59  12.680   2.957   2.060
   11    HD2  PRO  59           HD2      PRO  59  11.764   4.737   4.233
   12    HD3  PRO  59           HD1      PRO  59  11.908   5.055   2.493
   13    H    LEU  60           HN       LEU  60   7.825   1.886   1.657
   14    HA   LEU  60           HA       LEU  60   6.693   0.784   4.129
   15    HB2  LEU  60           HB2      LEU  60   5.226   2.310   1.995
   16    HB3  LEU  60           HB1      LEU  60   4.450   1.462   3.326
   17    HG   LEU  60           HG       LEU  60   6.355   3.791   3.616
   18   HD11  LEU  60          HD11      LEU  60   3.365   3.658   3.949
   19   HD12  LEU  60          HD12      LEU  60   4.223   4.448   2.626
   20   HD13  LEU  60          HD13      LEU  60   4.386   5.058   4.275
   21   HD21  LEU  60          HD21      LEU  60   4.708   2.302   5.656
   22   HD22  LEU  60          HD22      LEU  60   5.622   3.780   5.963
   23   HD23  LEU  60          HD23      LEU  60   6.466   2.295   5.523
   24    H    LYS  61           HN       LYS  61   6.349  -1.291   4.031
   25    HA   LYS  61           HA       LYS  61   6.704  -2.660   1.517
   26    HB2  LYS  61           HB2      LYS  61   7.655  -3.289   3.827
   27    HB3  LYS  61           HB1      LYS  61   6.054  -3.912   4.181
   28    HG2  LYS  61           HG2      LYS  61   7.367  -5.749   3.513
   29    HG3  LYS  61           HG1      LYS  61   6.303  -5.385   2.154
   30    HD2  LYS  61           HD2      LYS  61   8.015  -4.733   0.818
   31    HD3  LYS  61           HD1      LYS  61   8.925  -4.026   2.153
   32    HE2  LYS  61           HE2      LYS  61  10.081  -5.961   1.214
   33    HE3  LYS  61           HE1      LYS  61   9.604  -6.247   2.886
   34    HZ1  LYS  61           HZ1      LYS  61   7.685  -7.501   2.055
   35    HZ2  LYS  61           HZ2      LYS  61   9.160  -8.177   1.563
   36    HZ3  LYS  61           HZ3      LYS  61   8.235  -7.280   0.464
   37    H    CYS  62           HN       CYS  62   5.131  -3.520   0.256
   38    HA   CYS  62           HA       CYS  62   2.395  -3.613   1.276
   39    HB2  CYS  62           HB2      CYS  62   2.740  -2.697  -1.008
   40    HB3  CYS  62           HB1      CYS  62   3.479  -4.217  -1.514
   41    H    ARG  63           HN       ARG  63   1.748  -5.459   2.241
   42    HA   ARG  63           HA       ARG  63   3.448  -7.753   2.236
   43    HB2  ARG  63           HB2      ARG  63   0.655  -7.402   3.336
   44    HB3  ARG  63           HB1      ARG  63   1.684  -8.794   3.631
   45    HG2  ARG  63           HG2      ARG  63   3.354  -7.196   4.642
   46    HG3  ARG  63           HG1      ARG  63   2.087  -5.968   4.562
   47    HD2  ARG  63           HD2      ARG  63   2.145  -7.019   6.764
   48    HD3  ARG  63           HD1      ARG  63   0.633  -7.383   5.931
   49    HE   ARG  63           HE       ARG  63   2.865  -9.302   5.895
   50   HH11  ARG  63          HH11      ARG  63  -0.424  -8.504   6.796
   51   HH12  ARG  63          HH12      ARG  63  -0.889 -10.160   7.065
   52   HH21  ARG  63          HH21      ARG  63   2.273 -11.468   6.278
   53   HH22  ARG  63          HH22      ARG  63   0.651 -11.845   6.785
   54    H    GLU  64           HN       GLU  64   0.394  -6.932   0.708
   55    HA   GLU  64           HA       GLU  64  -0.204  -9.480  -0.312
   56    HB2  GLU  64           HB2      GLU  64  -0.986  -6.748  -1.340
   57    HB3  GLU  64           HB1      GLU  64  -1.686  -8.267  -1.903
   58    HG2  GLU  64           HG2      GLU  64  -3.253  -7.669  -0.382
   59    HG3  GLU  64           HG1      GLU  64  -2.180  -8.592   0.664
   60    H    CYS  65           HN       CYS  65   1.817  -6.884  -1.577
   61    HA   CYS  65           HA       CYS  65   2.203  -8.381  -4.059
   62    HB2  CYS  65           HB2      CYS  65   2.942  -5.601  -3.186
   63    HB3  CYS  65           HB1      CYS  65   3.449  -6.290  -4.739
   64    H    GLY  66           HN       GLY  66   3.999  -7.083  -1.306
   65    HA2  GLY  66           HA2      GLY  66   5.858  -8.286  -0.382
   66    HA3  GLY  66           HA1      GLY  66   6.207  -8.918  -1.993
   67    H    LYS  67           HN       LYS  67   5.428  -5.881  -2.563
   68    HA   LYS  67           HA       LYS  67   8.180  -5.074  -2.835
   69    HB2  LYS  67           HB2      LYS  67   7.180  -3.230  -4.197
   70    HB3  LYS  67           HB1      LYS  67   6.902  -4.862  -4.811
   71    HG2  LYS  67           HG2      LYS  67   4.661  -4.826  -3.805
   72    HG3  LYS  67           HG1      LYS  67   4.944  -3.160  -3.289
   73    HD2  LYS  67           HD2      LYS  67   5.288  -3.984  -6.134
   74    HD3  LYS  67           HD1      LYS  67   3.692  -3.575  -5.494
   75    HE2  LYS  67           HE2      LYS  67   4.490  -1.375  -4.850
   76    HE3  LYS  67           HE1      LYS  67   6.121  -1.786  -5.390
   77    HZ1  LYS  67           HZ1      LYS  67   5.348  -1.928  -7.641
   78    HZ2  LYS  67           HZ2      LYS  67   4.875  -0.429  -7.000
   79    HZ3  LYS  67           HZ3      LYS  67   3.742  -1.678  -7.162
   80    H    GLN  68           HN       GLN  68   8.057  -2.440  -2.794
   81    HA   GLN  68           HA       GLN  68   7.175  -1.634  -0.135
   82    HB2  GLN  68           HB2      GLN  68   9.483  -2.764  -0.043
   83    HB3  GLN  68           HB1      GLN  68  10.079  -1.346  -0.910
   84    HG2  GLN  68           HG2      GLN  68   9.364   0.087   0.913
   85    HG3  GLN  68           HG1      GLN  68   8.706  -1.306   1.770
   86   HE21  GLN  68          HE21      GLN  68  10.022  -1.077   3.547
   87   HE22  GLN  68          HE22      GLN  68  11.738  -1.381   3.493
   88    H    PHE  69           HN       PHE  69   6.910   0.586   0.075
   89    HA   PHE  69           HA       PHE  69   7.226   2.105  -2.447
   90    HB2  PHE  69           HB2      PHE  69   5.216   2.270  -0.201
   91    HB3  PHE  69           HB1      PHE  69   5.439   3.600  -1.341
   92    HD1  PHE  69           HD1      PHE  69   5.121  -0.125  -1.618
   93    HD2  PHE  69           HD2      PHE  69   3.814   3.708  -2.915
   94    HE1  PHE  69           HE1      PHE  69   3.540  -1.197  -3.172
   95    HE2  PHE  69           HE2      PHE  69   2.239   2.647  -4.475
   96    HZ   PHE  69           HZ       PHE  69   2.100   0.194  -4.605
   97    H    THR  70           HN       THR  70   7.316   4.567  -1.962
   98    HA   THR  70           HA       THR  70   9.231   4.996   0.230
   99    HB   THR  70           HB       THR  70  10.312   6.713  -1.133
  100    HG1  THR  70           HG1      THR  70   9.174   7.523  -2.716
  101   HG21  THR  70          HG21      THR  70  10.001   4.096  -2.604
  102   HG22  THR  70          HG22      THR  70  11.137   4.418  -1.295
  103   HG23  THR  70          HG23      THR  70  11.310   5.256  -2.838
  104    H    THR  71           HN       THR  71   6.471   6.229  -1.541
  105    HA   THR  71           HA       THR  71   6.285   8.531   0.249
  106    HB   THR  71           HB       THR  71   4.223   8.938  -1.354
  107    HG1  THR  71           HG1      THR  71   5.118   8.073  -3.518
  108   HG21  THR  71          HG21      THR  71   6.209  10.371  -1.193
  109   HG22  THR  71          HG22      THR  71   5.699  10.172  -2.870
  110   HG23  THR  71          HG23      THR  71   7.088   9.274  -2.258
  111    H    SER  72           HN       SER  72   4.866   8.672   1.838
  112    HA   SER  72           HA       SER  72   3.683   6.319   2.834
  113    HB2  SER  72           HB2      SER  72   2.692   7.894   4.558
  114    HB3  SER  72           HB1      SER  72   4.447   7.935   4.401
  115    HG   SER  72           HG       SER  72   4.326   9.845   3.325
  116    H    GLY  73           HN       GLY  73   2.278   9.168   1.256
  117    HA2  GLY  73           HA2      GLY  73  -0.426   8.389   1.694
  118    HA3  GLY  73           HA1      GLY  73   0.133   9.576   0.521
  119    H    ASN  74           HN       ASN  74   1.911   7.689  -0.812
  120    HA   ASN  74           HA       ASN  74   0.046   6.686  -2.689
  121    HB2  ASN  74           HB2      ASN  74   3.022   6.420  -2.375
  122    HB3  ASN  74           HB1      ASN  74   2.161   5.463  -3.579
  123   HD21  ASN  74          HD21      ASN  74   3.109   6.471  -5.308
  124   HD22  ASN  74          HD22      ASN  74   2.755   8.107  -5.759
  125    H    LEU  75           HN       LEU  75   2.010   5.121  -0.183
  126    HA   LEU  75           HA       LEU  75   1.078   2.503  -0.860
  127    HB2  LEU  75           HB2      LEU  75   3.260   3.122   0.327
  128    HB3  LEU  75           HB1      LEU  75   2.275   3.326   1.769
  129    HG   LEU  75           HG       LEU  75   3.557   1.074   1.295
  130   HD11  LEU  75          HD11      LEU  75   0.745   1.212   2.362
  131   HD12  LEU  75          HD12      LEU  75   2.228   1.526   3.263
  132   HD13  LEU  75          HD13      LEU  75   1.893  -0.095   2.655
  133   HD21  LEU  75          HD21      LEU  75   2.109  -0.613   0.283
  134   HD22  LEU  75          HD22      LEU  75   2.533   0.645  -0.879
  135   HD23  LEU  75          HD23      LEU  75   0.936   0.637  -0.132
  136    H    LYS  76           HN       LYS  76   0.109   4.991   1.448
  137    HA   LYS  76           HA       LYS  76  -1.686   3.461   2.956
  138    HB2  LYS  76           HB2      LYS  76  -1.433   6.379   2.371
  139    HB3  LYS  76           HB1      LYS  76  -2.872   5.796   3.198
  140    HG2  LYS  76           HG2      LYS  76  -0.211   4.964   4.230
  141    HG3  LYS  76           HG1      LYS  76  -0.750   6.616   4.526
  142    HD2  LYS  76           HD2      LYS  76  -1.370   5.232   6.398
  143    HD3  LYS  76           HD1      LYS  76  -2.825   5.718   5.532
  144    HE2  LYS  76           HE2      LYS  76  -3.079   3.422   6.095
  145    HE3  LYS  76           HE1      LYS  76  -2.766   3.492   4.365
  146    HZ1  LYS  76           HZ1      LYS  76  -0.776   2.828   6.472
  147    HZ2  LYS  76           HZ2      LYS  76  -0.450   2.921   4.813
  148    HZ3  LYS  76           HZ3      LYS  76  -1.509   1.731   5.405
  149    H    ARG  77           HN       ARG  77  -2.408   5.602   0.181
  150    HA   ARG  77           HA       ARG  77  -5.100   4.789  -0.071
  151    HB2  ARG  77           HB2      ARG  77  -5.021   5.784  -2.301
  152    HB3  ARG  77           HB1      ARG  77  -4.200   6.818  -1.144
  153    HG2  ARG  77           HG2      ARG  77  -2.041   5.817  -1.920
  154    HG3  ARG  77           HG1      ARG  77  -2.949   5.026  -3.207
  155    HD2  ARG  77           HD2      ARG  77  -2.840   7.999  -2.731
  156    HD3  ARG  77           HD1      ARG  77  -1.884   7.130  -3.930
  157    HE   ARG  77           HE       ARG  77  -4.671   6.637  -4.253
  158   HH11  ARG  77          HH11      ARG  77  -2.173   9.007  -4.842
  159   HH12  ARG  77          HH12      ARG  77  -2.977   9.710  -6.211
  160   HH21  ARG  77          HH21      ARG  77  -5.732   7.535  -6.064
  161   HH22  ARG  77          HH22      ARG  77  -4.991   8.865  -6.917
  162    H    HIS  78           HN       HIS  78  -2.120   3.408  -1.149
  163    HA   HIS  78           HA       HIS  78  -3.153   1.655  -3.110
  164    HB2  HIS  78           HB2      HIS  78  -0.823   2.301  -3.103
  165    HB3  HIS  78           HB1      HIS  78  -0.593   1.588  -1.506
  166    HD1  HIS  78           HD1      HIS  78  -1.429   0.484  -5.056
  167    HD2  HIS  78           HD2      HIS  78   0.233  -0.957  -1.526
  168    HE1  HIS  78           HE1      HIS  78  -0.534  -1.811  -5.581
  169    H    LEU  79           HN       LEU  79  -2.407   1.220   0.357
  170    HA   LEU  79           HA       LEU  79  -3.118  -1.566   0.198
  171    HB2  LEU  79           HB2      LEU  79  -2.478   0.239   2.514
  172    HB3  LEU  79           HB1      LEU  79  -2.921  -1.452   2.706
  173    HG   LEU  79           HG       LEU  79  -0.455  -0.307   1.399
  174   HD11  LEU  79          HD11      LEU  79  -0.449  -0.649   3.840
  175   HD12  LEU  79          HD12      LEU  79   0.698  -1.699   3.009
  176   HD13  LEU  79          HD13      LEU  79  -0.833  -2.353   3.587
  177   HD21  LEU  79          HD21      LEU  79   0.155  -2.580   0.740
  178   HD22  LEU  79          HD22      LEU  79  -1.315  -2.052  -0.078
  179   HD23  LEU  79          HD23      LEU  79  -1.417  -3.166   1.285
  180    H    ARG  80           HN       ARG  80  -4.729   1.399   0.912
  181    HA   ARG  80           HA       ARG  80  -7.035   0.440   2.151
  182    HB2  ARG  80           HB2      ARG  80  -6.620   2.833   1.883
  183    HB3  ARG  80           HB1      ARG  80  -6.787   2.687   0.138
  184    HG2  ARG  80           HG2      ARG  80  -9.124   2.008   0.426
  185    HG3  ARG  80           HG1      ARG  80  -8.950   2.184   2.172
  186    HD2  ARG  80           HD2      ARG  80  -8.551   4.546   1.948
  187    HD3  ARG  80           HD1      ARG  80  -8.527   4.412   0.189
  188    HE   ARG  80           HE       ARG  80 -10.989   3.440   1.047
  189   HH11  ARG  80          HH11      ARG  80  -9.239   6.468   1.193
  190   HH12  ARG  80          HH12      ARG  80 -10.669   7.450   1.048
  191   HH21  ARG  80          HH21      ARG  80 -12.883   4.728   0.902
  192   HH22  ARG  80          HH22      ARG  80 -12.732   6.463   0.900
  193    H    ILE  81           HN       ILE  81  -6.287   0.704  -1.332
  194    HA   ILE  81           HA       ILE  81  -8.785  -0.466  -2.105
  195    HB   ILE  81           HB       ILE  81  -7.690   1.036  -3.653
  196   HG12  ILE  81          HG12      ILE  81  -7.755  -1.807  -4.677
  197   HG13  ILE  81          HG11      ILE  81  -9.110  -0.686  -4.623
  198   HG21  ILE  81          HG21      ILE  81  -5.372   0.618  -3.074
  199   HG22  ILE  81          HG22      ILE  81  -5.620   0.445  -4.812
  200   HG23  ILE  81          HG23      ILE  81  -5.467  -0.988  -3.795
  201   HD11  ILE  81          HD11      ILE  81  -7.983   0.749  -6.241
  202   HD12  ILE  81          HD12      ILE  81  -8.215  -0.882  -6.868
  203   HD13  ILE  81          HD13      ILE  81  -6.627  -0.379  -6.293
  204    H    HIS  82           HN       HIS  82  -5.543  -1.686  -1.501
  205    HA   HIS  82           HA       HIS  82  -5.825  -4.303  -2.448
  206    HB2  HIS  82           HB2      HIS  82  -4.118  -2.937  -0.467
  207    HB3  HIS  82           HB1      HIS  82  -4.328  -4.665  -0.190
  208    HD1  HIS  82           HD1      HIS  82  -3.739  -6.170  -2.490
  209    HD2  HIS  82           HD2      HIS  82  -2.119  -2.361  -2.124
  210    HE1  HIS  82           HE1      HIS  82  -1.697  -6.095  -4.014
  211    H    SER  83           HN       SER  83  -6.562  -2.968   0.762
  212    HA   SER  83           HA       SER  83  -7.665  -5.451   1.684
  213    HB2  SER  83           HB2      SER  83  -7.778  -2.703   2.939
  214    HB3  SER  83           HB1      SER  83  -8.133  -4.231   3.746
  215    HG   SER  83           HG       SER  83  -5.834  -4.726   2.880
  216    H    GLY  84           HN       GLY  84  -8.856  -2.932  -0.193
  217    HA2  GLY  84           HA2      GLY  84 -10.930  -2.733  -1.180
  218    HA3  GLY  84           HA1      GLY  84 -11.473  -4.112  -0.234
  219    H    GLU  85           HN       GLU  85 -10.030  -1.254   1.162
  220    HA   GLU  85           HA       GLU  85 -12.263  -0.904   2.900
  221    HB2  GLU  85           HB2      GLU  85  -9.968  -0.502   3.651
  222    HB3  GLU  85           HB1      GLU  85  -9.791   0.782   2.459
  223    HG2  GLU  85           HG2      GLU  85 -11.579   2.018   3.581
  224    HG3  GLU  85           HG1      GLU  85 -11.663   0.761   4.815
  225    H    LYS  86           HN       LYS  86 -14.073  -0.114   2.109
  226    HA   LYS  86           HA       LYS  86 -14.085   1.686  -0.151
  227    HB2  LYS  86           HB2      LYS  86 -16.357   0.525   1.474
  228    HB3  LYS  86           HB1      LYS  86 -16.535   1.426  -0.028
  229    HG2  LYS  86           HG2      LYS  86 -15.478  -0.287  -1.279
  230    HG3  LYS  86           HG1      LYS  86 -14.954  -1.119   0.183
  231    HD2  LYS  86           HD2      LYS  86 -17.860  -0.698  -0.446
  232    HD3  LYS  86           HD1      LYS  86 -16.961  -2.074  -1.082
  233    HE2  LYS  86           HE2      LYS  86 -17.991  -2.869   0.873
  234    HE3  LYS  86           HE1      LYS  86 -16.313  -2.576   1.325
  235    HZ1  LYS  86           HZ1      LYS  86 -18.543  -0.679   1.840
  236    HZ2  LYS  86           HZ2      LYS  86 -16.947  -0.556   2.413
  237    HZ3  LYS  86           HZ3      LYS  86 -17.956  -1.796   2.974
  Start of MODEL    6
    1    H1   GLY  58           HT1      GLY  58   7.260   7.033   4.302
    2    H2   GLY  58           HT2      GLY  58   8.359   7.681   5.422
    3    H3   GLY  58           HT3      GLY  58   7.789   6.099   5.613
    4    HA2  GLY  58           HA1      GLY  58   9.439   7.028   3.332
    5    HA3  GLY  58           HA2      GLY  58  10.069   6.171   4.738
    6    HA   PRO  59           HA       PRO  59   9.402   2.969   1.461
    7    HB2  PRO  59           HB2      PRO  59  11.037   1.590   3.546
    8    HB3  PRO  59           HB1      PRO  59  11.188   1.539   1.786
    9    HG2  PRO  59           HG2      PRO  59  12.871   2.984   3.252
   10    HG3  PRO  59           HG1      PRO  59  12.279   3.579   1.689
   11    HD2  PRO  59           HD2      PRO  59  11.522   4.413   4.443
   12    HD3  PRO  59           HD1      PRO  59  11.603   5.371   2.950
   13    H    LEU  60           HN       LEU  60   7.438   2.217   1.613
   14    HA   LEU  60           HA       LEU  60   6.629   0.799   4.045
   15    HB2  LEU  60           HB2      LEU  60   5.015   2.402   2.089
   16    HB3  LEU  60           HB1      LEU  60   4.275   1.317   3.255
   17    HG   LEU  60           HG       LEU  60   5.884   3.799   3.841
   18   HD11  LEU  60          HD11      LEU  60   3.579   4.171   3.134
   19   HD12  LEU  60          HD12      LEU  60   3.808   4.584   4.835
   20   HD13  LEU  60          HD13      LEU  60   3.015   3.072   4.393
   21   HD21  LEU  60          HD21      LEU  60   4.712   1.804   5.773
   22   HD22  LEU  60          HD22      LEU  60   5.473   3.335   6.200
   23   HD23  LEU  60          HD23      LEU  60   6.428   2.051   5.462
   24    H    LYS  61           HN       LYS  61   6.709  -1.306   3.777
   25    HA   LYS  61           HA       LYS  61   6.657  -2.405   1.110
   26    HB2  LYS  61           HB2      LYS  61   8.241  -3.240   2.798
   27    HB3  LYS  61           HB1      LYS  61   6.894  -3.794   3.784
   28    HG2  LYS  61           HG2      LYS  61   6.382  -5.528   2.340
   29    HG3  LYS  61           HG1      LYS  61   7.203  -4.764   0.976
   30    HD2  LYS  61           HD2      LYS  61   9.358  -5.153   2.053
   31    HD3  LYS  61           HD1      LYS  61   8.544  -5.910   3.423
   32    HE2  LYS  61           HE2      LYS  61   7.809  -7.730   2.082
   33    HE3  LYS  61           HE1      LYS  61   8.288  -6.911   0.595
   34    HZ1  LYS  61           HZ1      LYS  61   9.857  -8.668   1.351
   35    HZ2  LYS  61           HZ2      LYS  61  10.203  -7.719   2.717
   36    HZ3  LYS  61           HZ3      LYS  61  10.568  -7.140   1.165
   37    H    CYS  62           HN       CYS  62   4.889  -2.989   0.089
   38    HA   CYS  62           HA       CYS  62   2.370  -3.265   1.361
   39    HB2  CYS  62           HB2      CYS  62   2.413  -2.587  -0.941
   40    HB3  CYS  62           HB1      CYS  62   3.392  -3.994  -1.405
   41    H    ARG  63           HN       ARG  63   1.506  -4.988   2.300
   42    HA   ARG  63           HA       ARG  63   3.050  -7.286   2.857
   43    HB2  ARG  63           HB2      ARG  63   1.412  -6.535   4.449
   44    HB3  ARG  63           HB1      ARG  63   0.122  -6.674   3.262
   45    HG2  ARG  63           HG2      ARG  63   0.679  -9.163   3.198
   46    HG3  ARG  63           HG1      ARG  63   1.606  -8.865   4.670
   47    HD2  ARG  63           HD2      ARG  63  -0.328  -8.148   5.844
   48    HD3  ARG  63           HD1      ARG  63  -1.278  -8.071   4.362
   49    HE   ARG  63           HE       ARG  63  -0.430 -10.529   5.748
   50   HH11  ARG  63          HH11      ARG  63  -2.378  -8.908   3.304
   51   HH12  ARG  63          HH12      ARG  63  -3.404 -10.293   3.047
   52   HH21  ARG  63          HH21      ARG  63  -1.797 -12.341   5.388
   53   HH22  ARG  63          HH22      ARG  63  -3.077 -12.226   4.209
   54    H    GLU  64           HN       GLU  64   0.253  -6.749   0.737
   55    HA   GLU  64           HA       GLU  64   0.001  -9.498   0.038
   56    HB2  GLU  64           HB2      GLU  64  -1.152  -7.016  -1.241
   57    HB3  GLU  64           HB1      GLU  64  -1.584  -8.663  -1.698
   58    HG2  GLU  64           HG2      GLU  64  -3.280  -7.794  -0.265
   59    HG3  GLU  64           HG1      GLU  64  -2.393  -9.039   0.609
   60    H    CYS  65           HN       CYS  65   1.561  -6.725  -1.510
   61    HA   CYS  65           HA       CYS  65   2.158  -8.292  -3.892
   62    HB2  CYS  65           HB2      CYS  65   2.818  -5.450  -3.130
   63    HB3  CYS  65           HB1      CYS  65   3.290  -6.191  -4.665
   64    H    GLY  66           HN       GLY  66   3.764  -6.847  -1.128
   65    HA2  GLY  66           HA2      GLY  66   5.778  -7.557  -0.178
   66    HA3  GLY  66           HA1      GLY  66   6.161  -8.431  -1.665
   67    H    LYS  67           HN       LYS  67   4.997  -5.330  -2.273
   68    HA   LYS  67           HA       LYS  67   7.711  -4.439  -2.856
   69    HB2  LYS  67           HB2      LYS  67   6.786  -3.117  -4.678
   70    HB3  LYS  67           HB1      LYS  67   6.398  -4.827  -4.858
   71    HG2  LYS  67           HG2      LYS  67   4.160  -4.234  -3.766
   72    HG3  LYS  67           HG1      LYS  67   4.594  -2.557  -4.110
   73    HD2  LYS  67           HD2      LYS  67   5.107  -4.075  -6.439
   74    HD3  LYS  67           HD1      LYS  67   3.502  -4.521  -5.857
   75    HE2  LYS  67           HE2      LYS  67   3.198  -2.702  -7.341
   76    HE3  LYS  67           HE1      LYS  67   2.994  -2.062  -5.711
   77    HZ1  LYS  67           HZ1      LYS  67   4.326  -0.589  -7.072
   78    HZ2  LYS  67           HZ2      LYS  67   5.445  -1.825  -7.379
   79    HZ3  LYS  67           HZ3      LYS  67   5.267  -1.216  -5.806
   80    H    GLN  68           HN       GLN  68   8.402  -2.714  -2.055
   81    HA   GLN  68           HA       GLN  68   6.897  -1.260  -0.065
   82    HB2  GLN  68           HB2      GLN  68   9.789  -0.891  -0.863
   83    HB3  GLN  68           HB1      GLN  68   9.013  -0.319   0.617
   84    HG2  GLN  68           HG2      GLN  68   8.599  -2.678   1.233
   85    HG3  GLN  68           HG1      GLN  68   9.537  -3.170  -0.176
   86   HE21  GLN  68          HE21      GLN  68  10.267  -0.408   1.834
   87   HE22  GLN  68          HE22      GLN  68  11.732  -1.045   2.525
   88    H    PHE  69           HN       PHE  69   6.563   0.920   0.021
   89    HA   PHE  69           HA       PHE  69   6.984   2.425  -2.491
   90    HB2  PHE  69           HB2      PHE  69   4.686   2.316  -0.569
   91    HB3  PHE  69           HB1      PHE  69   4.983   3.803  -1.470
   92    HD1  PHE  69           HD1      PHE  69   4.405   0.160  -1.886
   93    HD2  PHE  69           HD2      PHE  69   4.196   4.024  -3.657
   94    HE1  PHE  69           HE1      PHE  69   3.197  -0.789  -3.808
   95    HE2  PHE  69           HE2      PHE  69   2.983   3.084  -5.578
   96    HZ   PHE  69           HZ       PHE  69   2.481   0.691  -5.662
   97    H    THR  70           HN       THR  70   8.208   4.228  -2.320
   98    HA   THR  70           HA       THR  70   9.385   4.857   0.218
   99    HB   THR  70           HB       THR  70  10.729   5.017  -1.823
  100    HG1  THR  70           HG1      THR  70  10.744   7.687  -1.210
  101   HG21  THR  70          HG21      THR  70   8.927   7.325  -2.568
  102   HG22  THR  70          HG22      THR  70   8.997   5.761  -3.382
  103   HG23  THR  70          HG23      THR  70  10.392   6.839  -3.423
  104    H    THR  71           HN       THR  71   6.644   5.952  -1.515
  105    HA   THR  71           HA       THR  71   6.411   8.330   0.189
  106    HB   THR  71           HB       THR  71   4.626   7.495  -2.114
  107    HG1  THR  71           HG1      THR  71   6.505   9.584  -2.316
  108   HG21  THR  71          HG21      THR  71   4.992  10.160  -0.733
  109   HG22  THR  71          HG22      THR  71   3.608   9.081  -0.539
  110   HG23  THR  71          HG23      THR  71   3.925   9.839  -2.100
  111    H    SER  72           HN       SER  72   5.032   8.362   1.852
  112    HA   SER  72           HA       SER  72   4.021   5.886   2.789
  113    HB2  SER  72           HB2      SER  72   3.514   8.636   3.929
  114    HB3  SER  72           HB1      SER  72   3.406   7.095   4.782
  115    HG   SER  72           HG       SER  72   5.552   8.654   4.379
  116    H    GLY  73           HN       GLY  73   2.442   8.859   1.641
  117    HA2  GLY  73           HA2      GLY  73  -0.211   7.963   2.068
  118    HA3  GLY  73           HA1      GLY  73   0.272   9.240   0.959
  119    H    ASN  74           HN       ASN  74   1.974   7.622  -0.663
  120    HA   ASN  74           HA       ASN  74   0.166   6.634  -2.547
  121    HB2  ASN  74           HB2      ASN  74   3.115   6.241  -2.136
  122    HB3  ASN  74           HB1      ASN  74   2.270   5.341  -3.389
  123   HD21  ASN  74          HD21      ASN  74   1.329   8.584  -2.489
  124   HD22  ASN  74          HD22      ASN  74   1.870   9.341  -3.952
  125    H    LEU  75           HN       LEU  75   2.143   4.898  -0.168
  126    HA   LEU  75           HA       LEU  75   1.199   2.323  -0.860
  127    HB2  LEU  75           HB2      LEU  75   3.315   2.938   0.420
  128    HB3  LEU  75           HB1      LEU  75   2.274   3.160   1.819
  129    HG   LEU  75           HG       LEU  75   3.569   0.926   1.494
  130   HD11  LEU  75          HD11      LEU  75   1.834  -0.257   2.714
  131   HD12  LEU  75          HD12      LEU  75   0.657   0.972   2.250
  132   HD13  LEU  75          HD13      LEU  75   2.007   1.398   3.302
  133   HD21  LEU  75          HD21      LEU  75   2.257  -0.792   0.355
  134   HD22  LEU  75          HD22      LEU  75   2.797   0.460  -0.763
  135   HD23  LEU  75          HD23      LEU  75   1.125   0.444  -0.201
  136    H    LYS  76           HN       LYS  76   0.110   4.768   1.430
  137    HA   LYS  76           HA       LYS  76  -1.723   3.125   2.805
  138    HB2  LYS  76           HB2      LYS  76  -0.852   5.454   3.460
  139    HB3  LYS  76           HB1      LYS  76  -2.104   6.077   2.396
  140    HG2  LYS  76           HG2      LYS  76  -3.148   6.148   4.439
  141    HG3  LYS  76           HG1      LYS  76  -3.692   4.591   3.821
  142    HD2  LYS  76           HD2      LYS  76  -1.209   4.696   5.469
  143    HD3  LYS  76           HD1      LYS  76  -2.768   4.846   6.278
  144    HE2  LYS  76           HE2      LYS  76  -2.045   2.576   4.426
  145    HE3  LYS  76           HE1      LYS  76  -1.850   2.518   6.172
  146    HZ1  LYS  76           HZ1      LYS  76  -4.232   2.887   6.409
  147    HZ2  LYS  76           HZ2      LYS  76  -3.912   1.483   5.510
  148    HZ3  LYS  76           HZ3      LYS  76  -4.419   2.898   4.724
  149    H    ARG  77           HN       ARG  77  -2.139   5.356   0.054
  150    HA   ARG  77           HA       ARG  77  -4.856   4.741  -0.458
  151    HB2  ARG  77           HB2      ARG  77  -2.739   5.432  -2.514
  152    HB3  ARG  77           HB1      ARG  77  -4.475   5.595  -2.710
  153    HG2  ARG  77           HG2      ARG  77  -2.820   7.129  -0.725
  154    HG3  ARG  77           HG1      ARG  77  -3.321   7.732  -2.304
  155    HD2  ARG  77           HD2      ARG  77  -5.617   7.670  -1.678
  156    HD3  ARG  77           HD1      ARG  77  -5.251   6.803  -0.185
  157    HE   ARG  77           HE       ARG  77  -3.813   9.068   0.083
  158   HH11  ARG  77          HH11      ARG  77  -7.190   8.567  -0.795
  159   HH12  ARG  77          HH12      ARG  77  -7.714  10.044  -0.033
  160   HH21  ARG  77          HH21      ARG  77  -4.519  10.961   1.080
  161   HH22  ARG  77          HH22      ARG  77  -6.206  11.395   1.049
  162    H    HIS  78           HN       HIS  78  -1.847   3.295  -1.518
  163    HA   HIS  78           HA       HIS  78  -2.788   1.449  -3.369
  164    HB2  HIS  78           HB2      HIS  78  -0.423   2.063  -3.044
  165    HB3  HIS  78           HB1      HIS  78  -0.422   1.228  -1.491
  166    HD1  HIS  78           HD1      HIS  78  -0.804   0.438  -5.202
  167    HD2  HIS  78           HD2      HIS  78   0.282  -1.354  -1.606
  168    HE1  HIS  78           HE1      HIS  78   0.147  -1.824  -5.794
  169    H    LEU  79           HN       LEU  79  -2.372   1.109   0.152
  170    HA   LEU  79           HA       LEU  79  -3.178  -1.648   0.085
  171    HB2  LEU  79           HB2      LEU  79  -2.631   0.221   2.379
  172    HB3  LEU  79           HB1      LEU  79  -3.118  -1.455   2.592
  173    HG   LEU  79           HG       LEU  79  -0.548  -0.391   1.440
  174   HD11  LEU  79          HD11      LEU  79   0.415  -1.871   3.159
  175   HD12  LEU  79          HD12      LEU  79  -1.216  -2.282   3.693
  176   HD13  LEU  79          HD13      LEU  79  -0.629  -0.624   3.843
  177   HD21  LEU  79          HD21      LEU  79  -1.598  -3.214   1.287
  178   HD22  LEU  79          HD22      LEU  79   0.055  -2.716   0.920
  179   HD23  LEU  79          HD23      LEU  79  -1.283  -2.135  -0.070
  180    H    ARG  80           HN       ARG  80  -4.842   1.394   0.607
  181    HA   ARG  80           HA       ARG  80  -7.117   0.212   1.861
  182    HB2  ARG  80           HB2      ARG  80  -8.216   2.285   1.611
  183    HB3  ARG  80           HB1      ARG  80  -6.527   2.684   1.879
  184    HG2  ARG  80           HG2      ARG  80  -6.266   2.977  -0.571
  185    HG3  ARG  80           HG1      ARG  80  -8.006   2.728  -0.739
  186    HD2  ARG  80           HD2      ARG  80  -6.668   4.899   0.870
  187    HD3  ARG  80           HD1      ARG  80  -7.442   5.102  -0.700
  188    HE   ARG  80           HE       ARG  80  -9.473   4.139   0.700
  189   HH11  ARG  80          HH11      ARG  80  -7.105   6.539   1.612
  190   HH12  ARG  80          HH12      ARG  80  -8.193   7.430   2.632
  191   HH21  ARG  80          HH21      ARG  80 -10.940   5.327   2.002
  192   HH22  ARG  80          HH22      ARG  80 -10.374   6.739   2.853
  193    H    ILE  81           HN       ILE  81  -5.957   0.368  -1.357
  194    HA   ILE  81           HA       ILE  81  -8.434  -0.474  -2.572
  195    HB   ILE  81           HB       ILE  81  -5.631  -0.720  -3.682
  196   HG12  ILE  81          HG12      ILE  81  -6.040   1.607  -3.131
  197   HG13  ILE  81          HG11      ILE  81  -6.099   1.395  -4.876
  198   HG21  ILE  81          HG21      ILE  81  -8.322  -0.699  -5.036
  199   HG22  ILE  81          HG22      ILE  81  -7.246  -2.084  -4.856
  200   HG23  ILE  81          HG23      ILE  81  -6.765  -0.718  -5.863
  201   HD11  ILE  81          HD11      ILE  81  -7.846   2.889  -4.131
  202   HD12  ILE  81          HD12      ILE  81  -8.469   1.651  -3.040
  203   HD13  ILE  81          HD13      ILE  81  -8.545   1.406  -4.785
  204    H    HIS  82           HN       HIS  82  -5.587  -1.885  -1.178
  205    HA   HIS  82           HA       HIS  82  -5.977  -4.556  -2.047
  206    HB2  HIS  82           HB2      HIS  82  -4.258  -3.165  -0.065
  207    HB3  HIS  82           HB1      HIS  82  -4.490  -4.896   0.168
  208    HD1  HIS  82           HD1      HIS  82  -3.784  -6.415  -1.984
  209    HD2  HIS  82           HD2      HIS  82  -2.382  -2.502  -1.877
  210    HE1  HIS  82           HE1      HIS  82  -1.796  -6.305  -3.571
  211    H    SER  83           HN       SER  83  -6.897  -2.794   0.882
  212    HA   SER  83           HA       SER  83  -8.186  -5.122   2.007
  213    HB2  SER  83           HB2      SER  83  -8.994  -3.301   3.688
  214    HB3  SER  83           HB1      SER  83  -7.287  -3.745   3.659
  215    HG   SER  83           HG       SER  83  -6.788  -1.824   2.953
  216    H    GLY  84           HN       GLY  84  -9.068  -2.403   0.056
  217    HA2  GLY  84           HA2      GLY  84 -11.023  -2.319  -1.257
  218    HA3  GLY  84           HA1      GLY  84 -11.773  -3.482  -0.174
  219    H    GLU  85           HN       GLU  85 -10.182  -1.105   1.551
  220    HA   GLU  85           HA       GLU  85 -12.691  -0.006   2.451
  221    HB2  GLU  85           HB2      GLU  85  -9.845   0.553   3.303
  222    HB3  GLU  85           HB1      GLU  85 -11.269   1.242   4.070
  223    HG2  GLU  85           HG2      GLU  85 -10.520  -1.669   3.944
  224    HG3  GLU  85           HG1      GLU  85 -10.462  -0.617   5.360
  225    H    LYS  86           HN       LYS  86 -13.472   1.193   0.748
  226    HA   LYS  86           HA       LYS  86 -11.918   3.373  -0.330
  227    HB2  LYS  86           HB2      LYS  86 -13.590   2.190  -1.716
  228    HB3  LYS  86           HB1      LYS  86 -14.861   2.732  -0.630
  229    HG2  LYS  86           HG2      LYS  86 -14.263   5.074  -1.197
  230    HG3  LYS  86           HG1      LYS  86 -13.135   4.444  -2.399
  231    HD2  LYS  86           HD2      LYS  86 -16.091   3.866  -2.335
  232    HD3  LYS  86           HD1      LYS  86 -15.331   5.092  -3.350
  233    HE2  LYS  86           HE2      LYS  86 -14.743   2.135  -3.435
  234    HE3  LYS  86           HE1      LYS  86 -15.778   3.001  -4.569
  235    HZ1  LYS  86           HZ1      LYS  86 -13.784   4.404  -5.092
  236    HZ2  LYS  86           HZ2      LYS  86 -13.680   2.786  -5.581
  237    HZ3  LYS  86           HZ3      LYS  86 -12.848   3.299  -4.199
  Start of MODEL    7
    1    H1   GLY  58           HT1      GLY  58   8.481   6.919   4.348
    2    H2   GLY  58           HT2      GLY  58   9.653   7.520   5.411
    3    H3   GLY  58           HT3      GLY  58   8.698   6.195   5.864
    4    HA2  GLY  58           HA1      GLY  58  10.657   6.216   3.636
    5    HA3  GLY  58           HA2      GLY  58  10.947   5.521   5.230
    6    HA   PRO  59           HA       PRO  59   9.997   2.035   2.269
    7    HB2  PRO  59           HB2      PRO  59  10.827   0.871   4.904
    8    HB3  PRO  59           HB1      PRO  59  11.192   0.311   3.266
    9    HG2  PRO  59           HG2      PRO  59  12.947   1.754   4.725
   10    HG3  PRO  59           HG1      PRO  59  12.850   1.866   2.960
   11    HD2  PRO  59           HD2      PRO  59  12.126   3.851   4.978
   12    HD3  PRO  59           HD1      PRO  59  12.334   4.052   3.228
   13    H    LEU  60           HN       LEU  60   7.921   1.779   2.020
   14    HA   LEU  60           HA       LEU  60   6.356   0.729   4.262
   15    HB2  LEU  60           HB2      LEU  60   5.450   2.419   1.946
   16    HB3  LEU  60           HB1      LEU  60   4.345   1.602   3.042
   17    HG   LEU  60           HG       LEU  60   6.326   3.749   3.812
   18   HD11  LEU  60          HD11      LEU  60   4.333   5.106   4.217
   19   HD12  LEU  60          HD12      LEU  60   3.322   3.800   3.601
   20   HD13  LEU  60          HD13      LEU  60   4.457   4.616   2.528
   21   HD21  LEU  60          HD21      LEU  60   4.238   2.336   5.473
   22   HD22  LEU  60          HD22      LEU  60   5.267   3.665   6.007
   23   HD23  LEU  60          HD23      LEU  60   5.982   2.105   5.597
   24    H    LYS  61           HN       LYS  61   6.226  -1.350   4.079
   25    HA   LYS  61           HA       LYS  61   6.613  -2.667   1.543
   26    HB2  LYS  61           HB2      LYS  61   7.752  -3.495   3.512
   27    HB3  LYS  61           HB1      LYS  61   6.230  -3.670   4.369
   28    HG2  LYS  61           HG2      LYS  61   6.719  -5.833   3.769
   29    HG3  LYS  61           HG1      LYS  61   5.625  -5.325   2.482
   30    HD2  LYS  61           HD2      LYS  61   7.471  -4.937   0.989
   31    HD3  LYS  61           HD1      LYS  61   8.635  -5.247   2.281
   32    HE2  LYS  61           HE2      LYS  61   7.662  -7.558   2.466
   33    HE3  LYS  61           HE1      LYS  61   6.734  -7.208   1.009
   34    HZ1  LYS  61           HZ1      LYS  61   9.698  -7.174   1.206
   35    HZ2  LYS  61           HZ2      LYS  61   8.791  -6.883  -0.198
   36    HZ3  LYS  61           HZ3      LYS  61   8.772  -8.416   0.522
   37    H    CYS  62           HN       CYS  62   5.001  -3.392   0.228
   38    HA   CYS  62           HA       CYS  62   2.315  -3.628   1.320
   39    HB2  CYS  62           HB2      CYS  62   2.541  -2.694  -0.961
   40    HB3  CYS  62           HB1      CYS  62   3.296  -4.194  -1.504
   41    H    ARG  63           HN       ARG  63   1.960  -5.393   2.462
   42    HA   ARG  63           HA       ARG  63   3.608  -7.669   2.435
   43    HB2  ARG  63           HB2      ARG  63   0.787  -7.450   3.489
   44    HB3  ARG  63           HB1      ARG  63   1.995  -8.636   3.965
   45    HG2  ARG  63           HG2      ARG  63   3.355  -6.923   4.964
   46    HG3  ARG  63           HG1      ARG  63   2.256  -5.668   4.382
   47    HD2  ARG  63           HD2      ARG  63   0.454  -6.703   5.735
   48    HD3  ARG  63           HD1      ARG  63   1.644  -7.828   6.391
   49    HE   ARG  63           HE       ARG  63   2.599  -5.228   6.773
   50   HH11  ARG  63          HH11      ARG  63  -0.040  -7.270   7.877
   51   HH12  ARG  63          HH12      ARG  63  -0.149  -6.488   9.428
   52   HH21  ARG  63          HH21      ARG  63   2.438  -4.213   8.807
   53   HH22  ARG  63          HH22      ARG  63   1.244  -4.747   9.946
   54    H    GLU  64           HN       GLU  64   0.732  -6.886   0.646
   55    HA   GLU  64           HA       GLU  64   0.175  -9.641  -0.022
   56    HB2  GLU  64           HB2      GLU  64  -1.133  -7.147  -1.108
   57    HB3  GLU  64           HB1      GLU  64  -1.768  -8.794  -1.165
   58    HG2  GLU  64           HG2      GLU  64  -1.365  -7.093   1.289
   59    HG3  GLU  64           HG1      GLU  64  -2.901  -7.534   0.546
   60    H    CYS  65           HN       CYS  65   1.795  -6.925  -1.451
   61    HA   CYS  65           HA       CYS  65   1.990  -8.310  -4.030
   62    HB2  CYS  65           HB2      CYS  65   2.673  -5.529  -3.111
   63    HB3  CYS  65           HB1      CYS  65   3.152  -6.142  -4.705
   64    H    GLY  66           HN       GLY  66   4.001  -6.990  -1.438
   65    HA2  GLY  66           HA2      GLY  66   6.038  -8.107  -0.785
   66    HA3  GLY  66           HA1      GLY  66   6.246  -8.616  -2.464
   67    H    LYS  67           HN       LYS  67   5.195  -5.671  -2.912
   68    HA   LYS  67           HA       LYS  67   7.793  -4.565  -3.328
   69    HB2  LYS  67           HB2      LYS  67   6.537  -2.685  -4.346
   70    HB3  LYS  67           HB1      LYS  67   6.145  -4.257  -5.049
   71    HG2  LYS  67           HG2      LYS  67   4.192  -4.229  -3.330
   72    HG3  LYS  67           HG1      LYS  67   4.490  -2.489  -3.307
   73    HD2  LYS  67           HD2      LYS  67   4.219  -3.922  -5.905
   74    HD3  LYS  67           HD1      LYS  67   2.774  -3.513  -4.984
   75    HE2  LYS  67           HE2      LYS  67   3.085  -1.739  -6.496
   76    HE3  LYS  67           HE1      LYS  67   3.645  -1.137  -4.938
   77    HZ1  LYS  67           HZ1      LYS  67   5.484  -2.271  -6.970
   78    HZ2  LYS  67           HZ2      LYS  67   5.879  -1.336  -5.606
   79    HZ3  LYS  67           HZ3      LYS  67   5.075  -0.626  -6.918
   80    H    GLN  68           HN       GLN  68   7.573  -1.992  -2.896
   81    HA   GLN  68           HA       GLN  68   6.841  -1.389  -0.193
   82    HB2  GLN  68           HB2      GLN  68   8.836  -2.870   0.087
   83    HB3  GLN  68           HB1      GLN  68   9.785  -1.690  -0.816
   84    HG2  GLN  68           HG2      GLN  68   9.523  -0.058   0.884
   85    HG3  GLN  68           HG1      GLN  68   8.326  -1.042   1.726
   86   HE21  GLN  68          HE21      GLN  68  11.691  -0.611   0.995
   87   HE22  GLN  68          HE22      GLN  68  12.299  -1.716   2.205
   88    H    PHE  69           HN       PHE  69   6.945   0.831   0.245
   89    HA   PHE  69           HA       PHE  69   7.778   2.467  -2.087
   90    HB2  PHE  69           HB2      PHE  69   5.411   2.803  -0.241
   91    HB3  PHE  69           HB1      PHE  69   5.942   4.038  -1.385
   92    HD1  PHE  69           HD2      PHE  69   5.702   3.679  -3.790
   93    HD2  PHE  69           HD1      PHE  69   4.258   0.854  -0.958
   94    HE1  PHE  69           HE2      PHE  69   4.352   2.615  -5.548
   95    HE2  PHE  69           HE1      PHE  69   2.908  -0.219  -2.712
   96    HZ   PHE  69           HZ       PHE  69   2.905   0.725  -5.008
   97    H    THR  70           HN       THR  70   8.074   4.816  -1.493
   98    HA   THR  70           HA       THR  70   9.174   5.117   1.221
   99    HB   THR  70           HB       THR  70  10.930   5.260  -0.512
  100    HG1  THR  70           HG1      THR  70  11.847   7.126   0.290
  101   HG21  THR  70          HG21      THR  70   9.576   6.092  -2.371
  102   HG22  THR  70          HG22      THR  70  10.971   7.135  -2.092
  103   HG23  THR  70          HG23      THR  70   9.369   7.634  -1.542
  104    H    THR  71           HN       THR  71   6.788   5.995  -0.962
  105    HA   THR  71           HA       THR  71   6.221   8.559   0.342
  106    HB   THR  71           HB       THR  71   4.784   7.248  -1.975
  107    HG1  THR  71           HG1      THR  71   7.179   8.637  -1.837
  108   HG21  THR  71          HG21      THR  71   3.981   9.511  -2.452
  109   HG22  THR  71          HG22      THR  71   4.844  10.121  -1.040
  110   HG23  THR  71          HG23      THR  71   3.498   9.001  -0.833
  111    H    SER  72           HN       SER  72   4.647   8.768   1.800
  112    HA   SER  72           HA       SER  72   3.550   6.424   2.970
  113    HB2  SER  72           HB2      SER  72   2.828   9.299   3.564
  114    HB3  SER  72           HB1      SER  72   2.626   7.907   4.630
  115    HG   SER  72           HG       SER  72   4.492   8.815   5.292
  116    H    GLY  73           HN       GLY  73   2.042   9.217   1.343
  117    HA2  GLY  73           HA2      GLY  73  -0.597   8.260   1.469
  118    HA3  GLY  73           HA1      GLY  73   0.003   9.441   0.315
  119    H    ASN  74           HN       ASN  74   1.957   7.649  -0.854
  120    HA   ASN  74           HA       ASN  74   0.387   6.518  -2.885
  121    HB2  ASN  74           HB2      ASN  74   2.836   7.163  -3.038
  122    HB3  ASN  74           HB1      ASN  74   3.204   5.678  -2.170
  123   HD21  ASN  74          HD21      ASN  74   3.987   6.519  -4.850
  124   HD22  ASN  74          HD22      ASN  74   3.406   5.280  -5.917
  125    H    LEU  75           HN       LEU  75   2.185   4.933  -0.238
  126    HA   LEU  75           HA       LEU  75   1.203   2.338  -0.867
  127    HB2  LEU  75           HB2      LEU  75   3.344   2.862   0.356
  128    HB3  LEU  75           HB1      LEU  75   2.354   3.301   1.740
  129    HG   LEU  75           HG       LEU  75   3.482   0.915   1.509
  130   HD11  LEU  75          HD11      LEU  75   2.288   1.736   3.445
  131   HD12  LEU  75          HD12      LEU  75   1.782   0.088   3.069
  132   HD13  LEU  75          HD13      LEU  75   0.747   1.449   2.639
  133   HD21  LEU  75          HD21      LEU  75   0.774   0.560   0.239
  134   HD22  LEU  75          HD22      LEU  75   1.844  -0.740   0.767
  135   HD23  LEU  75          HD23      LEU  75   2.330   0.321  -0.555
  136    H    LYS  76           HN       LYS  76   0.095   4.923   1.249
  137    HA   LYS  76           HA       LYS  76  -1.657   3.315   2.783
  138    HB2  LYS  76           HB2      LYS  76  -0.861   5.660   3.346
  139    HB3  LYS  76           HB1      LYS  76  -2.060   6.246   2.200
  140    HG2  LYS  76           HG2      LYS  76  -3.011   6.386   4.371
  141    HG3  LYS  76           HG1      LYS  76  -3.798   5.051   3.529
  142    HD2  LYS  76           HD2      LYS  76  -1.416   4.309   5.085
  143    HD3  LYS  76           HD1      LYS  76  -2.777   4.890   6.042
  144    HE2  LYS  76           HE2      LYS  76  -3.032   2.737   3.952
  145    HE3  LYS  76           HE1      LYS  76  -2.680   2.395   5.646
  146    HZ1  LYS  76           HZ1      LYS  76  -5.058   3.945   4.779
  147    HZ2  LYS  76           HZ2      LYS  76  -4.758   3.270   6.303
  148    HZ3  LYS  76           HZ3      LYS  76  -5.085   2.262   4.981
  149    H    ARG  77           HN       ARG  77  -2.203   5.326  -0.125
  150    HA   ARG  77           HA       ARG  77  -4.926   4.523  -0.434
  151    HB2  ARG  77           HB2      ARG  77  -3.004   5.447  -2.578
  152    HB3  ARG  77           HB1      ARG  77  -4.756   5.407  -2.701
  153    HG2  ARG  77           HG2      ARG  77  -4.915   7.102  -0.948
  154    HG3  ARG  77           HG1      ARG  77  -3.153   7.135  -0.830
  155    HD2  ARG  77           HD2      ARG  77  -4.881   7.972  -3.144
  156    HD3  ARG  77           HD1      ARG  77  -3.767   8.961  -2.199
  157    HE   ARG  77           HE       ARG  77  -2.923   6.818  -4.054
  158   HH11  ARG  77          HH11      ARG  77  -2.389   9.906  -2.482
  159   HH12  ARG  77          HH12      ARG  77  -0.932  10.251  -3.374
  160   HH21  ARG  77          HH21      ARG  77  -1.003   7.247  -5.198
  161   HH22  ARG  77          HH22      ARG  77  -0.135   8.727  -4.910
  162    H    HIS  78           HN       HIS  78  -1.856   3.274  -1.477
  163    HA   HIS  78           HA       HIS  78  -2.628   1.300  -3.281
  164    HB2  HIS  78           HB2      HIS  78  -0.315   2.084  -2.795
  165    HB3  HIS  78           HB1      HIS  78  -0.378   1.228  -1.256
  166    HD1  HIS  78           HD1      HIS  78  -0.148   0.620  -4.970
  167    HD2  HIS  78           HD2      HIS  78   0.179  -1.431  -1.365
  168    HE1  HIS  78           HE1      HIS  78   0.885  -1.618  -5.520
  169    H    LEU  79           HN       LEU  79  -2.116   1.041   0.241
  170    HA   LEU  79           HA       LEU  79  -3.160  -1.623   0.347
  171    HB2  LEU  79           HB2      LEU  79  -2.575   0.364   2.540
  172    HB3  LEU  79           HB1      LEU  79  -3.048  -1.310   2.811
  173    HG   LEU  79           HG       LEU  79  -0.489  -0.285   1.586
  174   HD11  LEU  79          HD11      LEU  79  -1.068  -2.038   3.976
  175   HD12  LEU  79          HD12      LEU  79  -0.596  -0.339   4.023
  176   HD13  LEU  79          HD13      LEU  79   0.530  -1.549   3.411
  177   HD21  LEU  79          HD21      LEU  79  -1.339  -2.198   0.273
  178   HD22  LEU  79          HD22      LEU  79  -1.414  -3.155   1.753
  179   HD23  LEU  79          HD23      LEU  79   0.141  -2.580   1.151
  180    H    ARG  80           HN       ARG  80  -4.540   1.503   0.389
  181    HA   ARG  80           HA       ARG  80  -6.895   1.102   1.828
  182    HB2  ARG  80           HB2      ARG  80  -6.084   3.281   0.861
  183    HB3  ARG  80           HB1      ARG  80  -6.636   2.723  -0.711
  184    HG2  ARG  80           HG2      ARG  80  -8.932   2.520   0.255
  185    HG3  ARG  80           HG1      ARG  80  -8.318   3.292   1.718
  186    HD2  ARG  80           HD2      ARG  80  -9.314   5.004   0.407
  187    HD3  ARG  80           HD1      ARG  80  -7.568   5.206   0.264
  188    HE   ARG  80           HE       ARG  80  -8.931   3.663  -1.810
  189   HH11  ARG  80          HH11      ARG  80  -7.431   6.694  -0.858
  190   HH12  ARG  80          HH12      ARG  80  -7.274   7.276  -2.492
  191   HH21  ARG  80          HH21      ARG  80  -8.691   4.411  -3.950
  192   HH22  ARG  80          HH22      ARG  80  -7.954   5.954  -4.262
  193    H    ILE  81           HN       ILE  81  -6.209   0.548  -1.617
  194    HA   ILE  81           HA       ILE  81  -8.791  -0.617  -2.087
  195    HB   ILE  81           HB       ILE  81  -7.931  -1.195  -4.323
  196   HG12  ILE  81          HG12      ILE  81  -5.349   0.060  -3.364
  197   HG13  ILE  81          HG11      ILE  81  -5.592  -1.660  -3.649
  198   HG21  ILE  81          HG21      ILE  81  -8.907   0.990  -3.955
  199   HG22  ILE  81          HG22      ILE  81  -7.573   1.113  -5.102
  200   HG23  ILE  81          HG23      ILE  81  -7.349   1.625  -3.428
  201   HD11  ILE  81          HD11      ILE  81  -5.717   0.525  -5.712
  202   HD12  ILE  81          HD12      ILE  81  -6.027  -1.183  -6.016
  203   HD13  ILE  81          HD13      ILE  81  -4.426  -0.656  -5.502
  204    H    HIS  82           HN       HIS  82  -5.660  -1.789  -1.131
  205    HA   HIS  82           HA       HIS  82  -6.037  -4.519  -1.760
  206    HB2  HIS  82           HB2      HIS  82  -4.225  -3.003   0.045
  207    HB3  HIS  82           HB1      HIS  82  -4.410  -4.728   0.355
  208    HD1  HIS  82           HD1      HIS  82  -3.905  -6.280  -1.904
  209    HD2  HIS  82           HD2      HIS  82  -2.329  -2.433  -1.766
  210    HE1  HIS  82           HE1      HIS  82  -1.977  -6.206  -3.573
  211    H    SER  83           HN       SER  83  -6.693  -2.672   1.197
  212    HA   SER  83           HA       SER  83  -7.858  -5.023   2.447
  213    HB2  SER  83           HB2      SER  83  -7.572  -2.202   3.501
  214    HB3  SER  83           HB1      SER  83  -8.032  -3.621   4.444
  215    HG   SER  83           HG       SER  83  -5.543  -2.836   3.496
  216    H    GLY  84           HN       GLY  84  -8.873  -2.202   0.755
  217    HA2  GLY  84           HA2      GLY  84 -10.991  -1.707  -0.049
  218    HA3  GLY  84           HA1      GLY  84 -11.632  -3.045   0.893
  219    H    GLU  85           HN       GLU  85  -9.632  -0.586   2.314
  220    HA   GLU  85           HA       GLU  85 -11.583  -0.148   4.345
  221    HB2  GLU  85           HB2      GLU  85  -9.874   1.442   5.260
  222    HB3  GLU  85           HB1      GLU  85  -9.293  -0.201   5.017
  223    HG2  GLU  85           HG2      GLU  85  -8.085   0.425   3.071
  224    HG3  GLU  85           HG1      GLU  85  -8.844   2.014   3.033
  225    H    LYS  86           HN       LYS  86 -13.259   1.135   4.084
  226    HA   LYS  86           HA       LYS  86 -12.951   3.624   2.569
  227    HB2  LYS  86           HB2      LYS  86 -15.398   2.207   3.633
  228    HB3  LYS  86           HB1      LYS  86 -15.453   3.821   2.941
  229    HG2  LYS  86           HG2      LYS  86 -14.517   2.881   0.835
  230    HG3  LYS  86           HG1      LYS  86 -14.666   1.274   1.548
  231    HD2  LYS  86           HD2      LYS  86 -17.067   1.579   1.793
  232    HD3  LYS  86           HD1      LYS  86 -16.939   3.214   1.141
  233    HE2  LYS  86           HE2      LYS  86 -17.728   1.626  -0.548
  234    HE3  LYS  86           HE1      LYS  86 -16.172   2.325  -0.990
  235    HZ1  LYS  86           HZ1      LYS  86 -15.064   0.342  -0.344
  236    HZ2  LYS  86           HZ2      LYS  86 -16.351  -0.112  -1.350
  237    HZ3  LYS  86           HZ3      LYS  86 -16.477  -0.312   0.330
  Start of MODEL    8
    1    H1   GLY  58           HT1      GLY  58   8.781   6.614   4.269
    2    H2   GLY  58           HT2      GLY  58   9.942   7.841   4.128
    3    H3   GLY  58           HT3      GLY  58  10.423   6.266   4.530
    4    HA2  GLY  58           HA1      GLY  58   9.265   7.169   1.950
    5    HA3  GLY  58           HA2      GLY  58  10.941   6.688   2.233
    6    HA   PRO  59           HA       PRO  59  10.068   2.635   0.810
    7    HB2  PRO  59           HB2      PRO  59  11.513   1.239   2.766
    8    HB3  PRO  59           HB1      PRO  59  12.134   1.819   1.219
    9    HG2  PRO  59           HG2      PRO  59  12.319   3.061   3.919
   10    HG3  PRO  59           HG1      PRO  59  13.513   3.038   2.609
   11    HD2  PRO  59           HD2      PRO  59  12.097   5.234   3.107
   12    HD3  PRO  59           HD1      PRO  59  12.431   4.738   1.433
   13    H    LEU  60           HN       LEU  60   8.112   1.944   1.080
   14    HA   LEU  60           HA       LEU  60   7.366   0.777   3.658
   15    HB2  LEU  60           HB2      LEU  60   5.618   2.410   1.838
   16    HB3  LEU  60           HB1      LEU  60   4.991   1.420   3.141
   17    HG   LEU  60           HG       LEU  60   6.863   3.764   3.482
   18   HD11  LEU  60          HD11      LEU  60   4.943   4.891   4.449
   19   HD12  LEU  60          HD12      LEU  60   3.931   3.485   4.118
   20   HD13  LEU  60          HD13      LEU  60   4.607   4.419   2.782
   21   HD21  LEU  60          HD21      LEU  60   5.452   2.036   5.509
   22   HD22  LEU  60          HD22      LEU  60   6.394   3.484   5.866
   23   HD23  LEU  60          HD23      LEU  60   7.188   2.060   5.192
   24    H    LYS  61           HN       LYS  61   6.971  -1.304   3.535
   25    HA   LYS  61           HA       LYS  61   6.842  -2.563   0.947
   26    HB2  LYS  61           HB2      LYS  61   7.356  -3.391   3.694
   27    HB3  LYS  61           HB1      LYS  61   6.321  -4.525   2.841
   28    HG2  LYS  61           HG2      LYS  61   8.566  -5.249   2.590
   29    HG3  LYS  61           HG1      LYS  61   8.032  -4.621   1.031
   30    HD2  LYS  61           HD2      LYS  61   9.222  -2.562   1.405
   31    HD3  LYS  61           HD1      LYS  61   9.653  -3.065   3.040
   32    HE2  LYS  61           HE2      LYS  61  10.544  -4.358   0.464
   33    HE3  LYS  61           HE1      LYS  61  11.535  -3.377   1.544
   34    HZ1  LYS  61           HZ1      LYS  61  11.015  -5.095   3.293
   35    HZ2  LYS  61           HZ2      LYS  61  12.038  -5.603   2.041
   36    HZ3  LYS  61           HZ3      LYS  61  10.410  -6.075   2.043
   37    H    CYS  62           HN       CYS  62   5.081  -3.158  -0.113
   38    HA   CYS  62           HA       CYS  62   2.470  -2.971   1.049
   39    HB2  CYS  62           HB2      CYS  62   2.674  -2.556  -1.338
   40    HB3  CYS  62           HB1      CYS  62   3.405  -4.144  -1.601
   41    H    ARG  63           HN       ARG  63   1.716  -4.404   2.396
   42    HA   ARG  63           HA       ARG  63   2.952  -6.734   3.207
   43    HB2  ARG  63           HB2      ARG  63   1.360  -5.673   4.624
   44    HB3  ARG  63           HB1      ARG  63   0.093  -5.809   3.415
   45    HG2  ARG  63           HG2      ARG  63   0.288  -8.312   3.675
   46    HG3  ARG  63           HG1      ARG  63   1.288  -7.989   5.094
   47    HD2  ARG  63           HD2      ARG  63  -0.504  -6.791   6.148
   48    HD3  ARG  63           HD1      ARG  63  -1.489  -6.899   4.692
   49    HE   ARG  63           HE       ARG  63  -0.733  -9.243   6.329
   50   HH11  ARG  63          HH11      ARG  63  -2.966  -7.539   4.231
   51   HH12  ARG  63          HH12      ARG  63  -4.276  -8.654   4.516
   52   HH21  ARG  63          HH21      ARG  63  -2.426 -10.722   6.672
   53   HH22  ARG  63          HH22      ARG  63  -3.963 -10.480   5.895
   54    H    GLU  64           HN       GLU  64   0.278  -6.347   0.917
   55    HA   GLU  64           HA       GLU  64  -0.126  -9.161   0.639
   56    HB2  GLU  64           HB2      GLU  64  -1.180  -6.807  -0.935
   57    HB3  GLU  64           HB1      GLU  64  -1.673  -8.477  -1.221
   58    HG2  GLU  64           HG2      GLU  64  -3.344  -7.419   0.104
   59    HG3  GLU  64           HG1      GLU  64  -2.489  -8.567   1.129
   60    H    CYS  65           HN       CYS  65   1.788  -6.787  -1.097
   61    HA   CYS  65           HA       CYS  65   2.123  -8.655  -3.322
   62    HB2  CYS  65           HB2      CYS  65   2.805  -5.750  -2.994
   63    HB3  CYS  65           HB1      CYS  65   3.265  -6.692  -4.416
   64    H    GLY  66           HN       GLY  66   4.031  -6.884  -0.910
   65    HA2  GLY  66           HA2      GLY  66   5.955  -7.866   0.103
   66    HA3  GLY  66           HA1      GLY  66   6.199  -8.837  -1.351
   67    H    LYS  67           HN       LYS  67   5.402  -5.889  -2.402
   68    HA   LYS  67           HA       LYS  67   8.144  -5.137  -2.931
   69    HB2  LYS  67           HB2      LYS  67   7.107  -3.558  -4.551
   70    HB3  LYS  67           HB1      LYS  67   6.735  -5.255  -4.862
   71    HG2  LYS  67           HG2      LYS  67   4.578  -4.881  -3.621
   72    HG3  LYS  67           HG1      LYS  67   4.951  -3.157  -3.678
   73    HD2  LYS  67           HD2      LYS  67   5.206  -4.575  -6.226
   74    HD3  LYS  67           HD1      LYS  67   3.567  -4.504  -5.576
   75    HE2  LYS  67           HE2      LYS  67   3.799  -2.598  -6.955
   76    HE3  LYS  67           HE1      LYS  67   3.922  -2.017  -5.294
   77    HZ1  LYS  67           HZ1      LYS  67   6.192  -2.505  -7.156
   78    HZ2  LYS  67           HZ2      LYS  67   6.345  -1.986  -5.552
   79    HZ3  LYS  67           HZ3      LYS  67   5.583  -0.991  -6.692
   80    H    GLN  68           HN       GLN  68   7.924  -2.465  -3.242
   81    HA   GLN  68           HA       GLN  68   7.175  -1.448  -0.623
   82    HB2  GLN  68           HB2      GLN  68   9.411  -0.551  -0.161
   83    HB3  GLN  68           HB1      GLN  68   9.415  -2.313  -0.240
   84    HG2  GLN  68           HG2      GLN  68  10.332  -2.195  -2.507
   85    HG3  GLN  68           HG1      GLN  68  10.340  -0.434  -2.409
   86   HE21  GLN  68          HE21      GLN  68  11.823   0.600  -1.063
   87   HE22  GLN  68          HE22      GLN  68  13.235  -0.225  -0.454
   88    H    PHE  69           HN       PHE  69   7.083   0.807  -0.439
   89    HA   PHE  69           HA       PHE  69   7.210   2.235  -3.033
   90    HB2  PHE  69           HB2      PHE  69   5.226   2.502  -0.766
   91    HB3  PHE  69           HB1      PHE  69   5.380   3.700  -2.056
   92    HD1  PHE  69           HD1      PHE  69   4.619   0.127  -1.400
   93    HD2  PHE  69           HD2      PHE  69   4.306   3.395  -4.108
   94    HE1  PHE  69           HE1      PHE  69   3.088  -1.188  -2.805
   95    HE2  PHE  69           HE2      PHE  69   2.770   2.086  -5.515
   96    HZ   PHE  69           HZ       PHE  69   2.158  -0.208  -4.863
   97    H    THR  70           HN       THR  70   7.188   4.745  -2.498
   98    HA   THR  70           HA       THR  70   9.229   5.203  -0.432
   99    HB   THR  70           HB       THR  70  10.058   7.049  -1.886
  100    HG1  THR  70           HG1      THR  70   8.574   7.603  -3.332
  101   HG21  THR  70          HG21      THR  70   9.994   4.325  -3.183
  102   HG22  THR  70          HG22      THR  70  11.136   4.859  -1.948
  103   HG23  THR  70          HG23      THR  70  11.148   5.609  -3.544
  104    H    THR  71           HN       THR  71   6.094   5.686  -1.052
  105    HA   THR  71           HA       THR  71   6.026   8.359   0.181
  106    HB   THR  71           HB       THR  71   4.017   7.361  -1.845
  107    HG1  THR  71           HG1      THR  71   6.517   8.579  -2.199
  108   HG21  THR  71          HG21      THR  71   3.406   9.713  -2.020
  109   HG22  THR  71          HG22      THR  71   4.649  10.137  -0.842
  110   HG23  THR  71          HG23      THR  71   3.265   9.160  -0.351
  111    H    SER  72           HN       SER  72   4.800   8.511   1.941
  112    HA   SER  72           HA       SER  72   3.776   6.221   3.212
  113    HB2  SER  72           HB2      SER  72   3.272   9.145   3.810
  114    HB3  SER  72           HB1      SER  72   2.939   7.802   4.905
  115    HG   SER  72           HG       SER  72   4.936   7.929   5.500
  116    H    GLY  73           HN       GLY  73   2.073   8.996   1.758
  117    HA2  GLY  73           HA2      GLY  73  -0.524   7.947   2.226
  118    HA3  GLY  73           HA1      GLY  73  -0.114   9.245   1.113
  119    H    ASN  74           HN       ASN  74   1.808   7.517  -0.316
  120    HA   ASN  74           HA       ASN  74   0.062   6.559  -2.319
  121    HB2  ASN  74           HB2      ASN  74   2.492   7.289  -2.606
  122    HB3  ASN  74           HB1      ASN  74   2.947   5.715  -1.968
  123   HD21  ASN  74          HD21      ASN  74   3.454   6.903  -4.578
  124   HD22  ASN  74          HD22      ASN  74   2.773   5.822  -5.746
  125    H    LEU  75           HN       LEU  75   2.077   4.868   0.080
  126    HA   LEU  75           HA       LEU  75   1.228   2.265  -0.638
  127    HB2  LEU  75           HB2      LEU  75   3.293   2.949   0.706
  128    HB3  LEU  75           HB1      LEU  75   2.207   3.119   2.077
  129    HG   LEU  75           HG       LEU  75   3.615   0.910   1.663
  130   HD11  LEU  75          HD11      LEU  75   2.227   1.362   3.597
  131   HD12  LEU  75          HD12      LEU  75   1.962  -0.282   3.012
  132   HD13  LEU  75          HD13      LEU  75   0.778   0.979   2.668
  133   HD21  LEU  75          HD21      LEU  75   2.677   0.403  -0.516
  134   HD22  LEU  75          HD22      LEU  75   1.051   0.401   0.163
  135   HD23  LEU  75          HD23      LEU  75   2.213  -0.831   0.657
  136    H    LYS  76           HN       LYS  76   0.049   4.613   1.743
  137    HA   LYS  76           HA       LYS  76  -1.804   2.865   2.966
  138    HB2  LYS  76           HB2      LYS  76  -1.594   5.855   2.843
  139    HB3  LYS  76           HB1      LYS  76  -2.957   5.070   3.626
  140    HG2  LYS  76           HG2      LYS  76  -0.050   4.857   4.373
  141    HG3  LYS  76           HG1      LYS  76  -1.346   5.619   5.295
  142    HD2  LYS  76           HD2      LYS  76  -0.887   2.687   4.785
  143    HD3  LYS  76           HD1      LYS  76  -0.971   3.527   6.333
  144    HE2  LYS  76           HE2      LYS  76  -3.377   4.053   5.784
  145    HE3  LYS  76           HE1      LYS  76  -3.223   2.946   4.416
  146    HZ1  LYS  76           HZ1      LYS  76  -2.614   1.185   6.013
  147    HZ2  LYS  76           HZ2      LYS  76  -4.173   1.799   6.273
  148    HZ3  LYS  76           HZ3      LYS  76  -2.900   2.263   7.294
  149    H    ARG  77           HN       ARG  77  -2.226   5.310   0.399
  150    HA   ARG  77           HA       ARG  77  -4.924   4.801  -0.132
  151    HB2  ARG  77           HB2      ARG  77  -3.771   6.728  -1.026
  152    HB3  ARG  77           HB1      ARG  77  -2.665   5.704  -1.928
  153    HG2  ARG  77           HG2      ARG  77  -4.533   4.927  -3.307
  154    HG3  ARG  77           HG1      ARG  77  -5.618   5.999  -2.413
  155    HD2  ARG  77           HD2      ARG  77  -3.185   6.876  -3.952
  156    HD3  ARG  77           HD1      ARG  77  -4.844   6.977  -4.545
  157    HE   ARG  77           HE       ARG  77  -4.770   8.298  -2.101
  158   HH11  ARG  77          HH11      ARG  77  -3.264   8.646  -5.263
  159   HH12  ARG  77          HH12      ARG  77  -3.158  10.375  -5.147
  160   HH21  ARG  77          HH21      ARG  77  -4.603  10.558  -1.955
  161   HH22  ARG  77          HH22      ARG  77  -3.901  11.465  -3.262
  162    H    HIS  78           HN       HIS  78  -1.967   3.344  -1.350
  163    HA   HIS  78           HA       HIS  78  -3.054   1.625  -3.252
  164    HB2  HIS  78           HB2      HIS  78  -0.681   2.076  -3.144
  165    HB3  HIS  78           HB1      HIS  78  -0.575   1.353  -1.538
  166    HD1  HIS  78           HD1      HIS  78  -1.512   0.248  -5.073
  167    HD2  HIS  78           HD2      HIS  78   0.203  -1.198  -1.571
  168    HE1  HIS  78           HE1      HIS  78  -0.751  -2.099  -5.577
  169    H    LEU  79           HN       LEU  79  -2.472   1.112   0.235
  170    HA   LEU  79           HA       LEU  79  -3.346  -1.614   0.051
  171    HB2  LEU  79           HB2      LEU  79  -2.759   0.110   2.447
  172    HB3  LEU  79           HB1      LEU  79  -3.168  -1.601   2.530
  173    HG   LEU  79           HG       LEU  79  -0.693  -0.351   1.334
  174   HD11  LEU  79          HD11      LEU  79   0.433  -1.831   2.950
  175   HD12  LEU  79          HD12      LEU  79  -1.141  -2.344   3.557
  176   HD13  LEU  79          HD13      LEU  79  -0.635  -0.664   3.734
  177   HD21  LEU  79          HD21      LEU  79  -1.473  -2.093  -0.179
  178   HD22  LEU  79          HD22      LEU  79  -1.589  -3.228   1.167
  179   HD23  LEU  79          HD23      LEU  79  -0.015  -2.603   0.672
  180    H    ARG  80           HN       ARG  80  -4.849   1.425   0.575
  181    HA   ARG  80           HA       ARG  80  -7.270   0.464   1.719
  182    HB2  ARG  80           HB2      ARG  80  -6.594   2.859   1.712
  183    HB3  ARG  80           HB1      ARG  80  -6.825   2.898  -0.031
  184    HG2  ARG  80           HG2      ARG  80  -9.191   2.433   0.253
  185    HG3  ARG  80           HG1      ARG  80  -8.969   2.319   2.001
  186    HD2  ARG  80           HD2      ARG  80  -9.861   4.492   1.435
  187    HD3  ARG  80           HD1      ARG  80  -8.214   4.658   2.037
  188    HE   ARG  80           HE       ARG  80  -8.495   4.515  -0.846
  189   HH11  ARG  80          HH11      ARG  80  -8.223   6.568   1.985
  190   HH12  ARG  80          HH12      ARG  80  -7.722   7.964   1.074
  191   HH21  ARG  80          HH21      ARG  80  -7.832   6.349  -2.040
  192   HH22  ARG  80          HH22      ARG  80  -7.504   7.842  -1.204
  193    H    ILE  81           HN       ILE  81  -6.001   0.783  -1.520
  194    HA   ILE  81           HA       ILE  81  -8.378  -0.100  -2.854
  195    HB   ILE  81           HB       ILE  81  -5.512  -0.055  -3.830
  196   HG12  ILE  81          HG12      ILE  81  -7.759   1.928  -4.264
  197   HG13  ILE  81          HG11      ILE  81  -6.399   2.164  -3.172
  198   HG21  ILE  81          HG21      ILE  81  -8.086  -0.310  -5.388
  199   HG22  ILE  81          HG22      ILE  81  -6.895  -1.587  -5.134
  200   HG23  ILE  81          HG23      ILE  81  -6.470  -0.160  -6.078
  201   HD11  ILE  81          HD11      ILE  81  -6.246   1.888  -6.166
  202   HD12  ILE  81          HD12      ILE  81  -4.868   2.085  -5.083
  203   HD13  ILE  81          HD13      ILE  81  -6.061   3.375  -5.235
  204    H    HIS  82           HN       HIS  82  -5.520  -1.611  -1.492
  205    HA   HIS  82           HA       HIS  82  -5.898  -4.203  -2.550
  206    HB2  HIS  82           HB2      HIS  82  -4.268  -3.000  -0.417
  207    HB3  HIS  82           HB1      HIS  82  -4.667  -4.699  -0.162
  208    HD1  HIS  82           HD1      HIS  82  -3.864  -6.372  -2.125
  209    HD2  HIS  82           HD2      HIS  82  -2.279  -2.521  -2.194
  210    HE1  HIS  82           HE1      HIS  82  -1.825  -6.447  -3.647
  211    H    SER  83           HN       SER  83  -7.151  -2.631   0.363
  212    HA   SER  83           HA       SER  83  -8.502  -5.050   1.178
  213    HB2  SER  83           HB2      SER  83  -9.473  -3.580   2.959
  214    HB3  SER  83           HB1      SER  83  -7.710  -3.591   2.924
  215    HG   SER  83           HG       SER  83  -9.007  -1.484   3.033
  216    H    GLY  84           HN       GLY  84  -9.222  -2.158  -0.617
  217    HA2  GLY  84           HA2      GLY  84 -10.932  -2.042  -2.237
  218    HA3  GLY  84           HA1      GLY  84 -11.762  -3.361  -1.421
  219    H    GLU  85           HN       GLU  85 -10.606  -0.884   0.610
  220    HA   GLU  85           HA       GLU  85 -13.293  -0.185   1.346
  221    HB2  GLU  85           HB2      GLU  85 -10.614   0.754   2.379
  222    HB3  GLU  85           HB1      GLU  85 -12.166   1.211   3.070
  223    HG2  GLU  85           HG2      GLU  85 -12.628  -1.048   3.693
  224    HG3  GLU  85           HG1      GLU  85 -11.200  -1.626   2.833
  225    H    LYS  86           HN       LYS  86 -14.394   1.421   0.586
  226    HA   LYS  86           HA       LYS  86 -13.357   3.183  -1.399
  227    HB2  LYS  86           HB2      LYS  86 -15.715   2.316  -1.292
  228    HB3  LYS  86           HB1      LYS  86 -15.993   3.391   0.069
  229    HG2  LYS  86           HG2      LYS  86 -15.419   5.308  -1.399
  230    HG3  LYS  86           HG1      LYS  86 -15.313   4.178  -2.751
  231    HD2  LYS  86           HD2      LYS  86 -17.662   3.486  -2.243
  232    HD3  LYS  86           HD1      LYS  86 -17.734   4.804  -1.073
  233    HE2  LYS  86           HE2      LYS  86 -18.715   5.537  -3.144
  234    HE3  LYS  86           HE1      LYS  86 -17.192   6.392  -2.892
  235    HZ1  LYS  86           HZ1      LYS  86 -17.560   4.022  -4.646
  236    HZ2  LYS  86           HZ2      LYS  86 -16.114   4.883  -4.429
  237    HZ3  LYS  86           HZ3      LYS  86 -17.441   5.628  -5.177
  Start of MODEL    9
    1    H1   GLY  58           HT1      GLY  58  11.582   6.691   4.593
    2    H2   GLY  58           HT2      GLY  58  11.092   5.259   5.352
    3    H3   GLY  58           HT3      GLY  58   9.978   6.160   4.451
    4    HA2  GLY  58           HA1      GLY  58  11.252   5.734   2.428
    5    HA3  GLY  58           HA2      GLY  58  12.353   4.735   3.382
    6    HA   PRO  59           HA       PRO  59  10.021   1.383   1.546
    7    HB2  PRO  59           HB2      PRO  59  11.178   0.166   4.025
    8    HB3  PRO  59           HB1      PRO  59  11.070  -0.501   2.392
    9    HG2  PRO  59           HG2      PRO  59  13.343   0.581   3.296
   10    HG3  PRO  59           HG1      PRO  59  12.835   0.762   1.608
   11    HD2  PRO  59           HD2      PRO  59  12.908   2.766   3.767
   12    HD3  PRO  59           HD1      PRO  59  12.911   3.000   2.008
   13    H    LEU  60           HN       LEU  60   7.950   1.479   1.726
   14    HA   LEU  60           HA       LEU  60   6.685   0.694   4.265
   15    HB2  LEU  60           HB2      LEU  60   5.507   2.309   2.002
   16    HB3  LEU  60           HB1      LEU  60   4.623   1.773   3.421
   17    HG   LEU  60           HG       LEU  60   6.946   3.700   3.449
   18   HD11  LEU  60          HD11      LEU  60   4.985   4.658   2.387
   19   HD12  LEU  60          HD12      LEU  60   5.253   5.385   3.970
   20   HD13  LEU  60          HD13      LEU  60   3.987   4.177   3.755
   21   HD21  LEU  60          HD21      LEU  60   5.082   2.777   5.634
   22   HD22  LEU  60          HD22      LEU  60   6.246   4.094   5.778
   23   HD23  LEU  60          HD23      LEU  60   6.811   2.445   5.511
   24    H    LYS  61           HN       LYS  61   6.581  -1.492   4.005
   25    HA   LYS  61           HA       LYS  61   6.594  -2.498   1.305
   26    HB2  LYS  61           HB2      LYS  61   8.082  -3.324   3.154
   27    HB3  LYS  61           HB1      LYS  61   6.664  -4.083   3.862
   28    HG2  LYS  61           HG2      LYS  61   6.393  -5.462   1.868
   29    HG3  LYS  61           HG1      LYS  61   7.799  -4.679   1.137
   30    HD2  LYS  61           HD2      LYS  61   9.202  -5.499   2.959
   31    HD3  LYS  61           HD1      LYS  61   7.801  -6.283   3.690
   32    HE2  LYS  61           HE2      LYS  61   8.963  -7.974   2.530
   33    HE3  LYS  61           HE1      LYS  61   7.563  -7.581   1.536
   34    HZ1  LYS  61           HZ1      LYS  61   9.602  -7.822   0.232
   35    HZ2  LYS  61           HZ2      LYS  61  10.319  -6.548   1.096
   36    HZ3  LYS  61           HZ3      LYS  61   8.971  -6.255   0.112
   37    H    CYS  62           HN       CYS  62   4.968  -3.222   0.188
   38    HA   CYS  62           HA       CYS  62   2.395  -3.667   1.407
   39    HB2  CYS  62           HB2      CYS  62   2.547  -2.642  -0.836
   40    HB3  CYS  62           HB1      CYS  62   3.371  -4.084  -1.445
   41    H    ARG  63           HN       ARG  63   2.249  -5.534   2.567
   42    HA   ARG  63           HA       ARG  63   3.934  -7.748   2.172
   43    HB2  ARG  63           HB2      ARG  63   2.694  -7.164   4.285
   44    HB3  ARG  63           HB1      ARG  63   1.238  -7.809   3.534
   45    HG2  ARG  63           HG2      ARG  63   2.227  -9.995   3.382
   46    HG3  ARG  63           HG1      ARG  63   3.769  -9.376   3.978
   47    HD2  ARG  63           HD2      ARG  63   2.647 -10.475   5.784
   48    HD3  ARG  63           HD1      ARG  63   2.623  -8.739   6.088
   49    HE   ARG  63           HE       ARG  63   0.281  -9.891   4.792
   50   HH11  ARG  63          HH11      ARG  63   1.763  -8.636   7.707
   51   HH12  ARG  63          HH12      ARG  63   0.258  -8.492   8.565
   52   HH21  ARG  63          HH21      ARG  63  -1.692  -9.709   5.905
   53   HH22  ARG  63          HH22      ARG  63  -1.719  -9.100   7.537
   54    H    GLU  64           HN       GLU  64   0.874  -6.907   0.751
   55    HA   GLU  64           HA       GLU  64   0.287  -9.570  -0.140
   56    HB2  GLU  64           HB2      GLU  64  -0.976  -6.922  -0.860
   57    HB3  GLU  64           HB1      GLU  64  -1.597  -8.502  -1.345
   58    HG2  GLU  64           HG2      GLU  64  -1.341  -7.455   1.468
   59    HG3  GLU  64           HG1      GLU  64  -2.831  -7.687   0.553
   60    H    CYS  65           HN       CYS  65   1.830  -6.737  -1.534
   61    HA   CYS  65           HA       CYS  65   2.042  -8.080  -4.131
   62    HB2  CYS  65           HB2      CYS  65   2.799  -5.342  -3.149
   63    HB3  CYS  65           HB1      CYS  65   3.307  -5.937  -4.737
   64    H    GLY  66           HN       GLY  66   4.019  -6.896  -1.481
   65    HA2  GLY  66           HA2      GLY  66   5.973  -8.141  -0.796
   66    HA3  GLY  66           HA1      GLY  66   6.253  -8.534  -2.494
   67    H    LYS  67           HN       LYS  67   5.321  -5.522  -2.795
   68    HA   LYS  67           HA       LYS  67   8.045  -4.532  -2.511
   69    HB2  LYS  67           HB2      LYS  67   7.377  -2.923  -4.384
   70    HB3  LYS  67           HB1      LYS  67   7.687  -4.605  -4.802
   71    HG2  LYS  67           HG2      LYS  67   5.802  -4.074  -6.027
   72    HG3  LYS  67           HG1      LYS  67   5.145  -4.902  -4.619
   73    HD2  LYS  67           HD2      LYS  67   4.510  -2.826  -3.616
   74    HD3  LYS  67           HD1      LYS  67   5.346  -1.907  -4.868
   75    HE2  LYS  67           HE2      LYS  67   2.962  -3.704  -5.291
   76    HE3  LYS  67           HE1      LYS  67   2.920  -1.943  -5.217
   77    HZ1  LYS  67           HZ1      LYS  67   4.241  -3.623  -7.275
   78    HZ2  LYS  67           HZ2      LYS  67   4.453  -1.942  -7.155
   79    HZ3  LYS  67           HZ3      LYS  67   2.916  -2.584  -7.483
   80    H    GLN  68           HN       GLN  68   8.390  -2.997  -1.298
   81    HA   GLN  68           HA       GLN  68   6.423  -1.485   0.094
   82    HB2  GLN  68           HB2      GLN  68   8.523  -0.209   0.898
   83    HB3  GLN  68           HB1      GLN  68   8.284  -1.882   1.404
   84    HG2  GLN  68           HG2      GLN  68   9.876  -1.389  -1.046
   85    HG3  GLN  68           HG1      GLN  68  10.598  -0.985   0.514
   86   HE21  GLN  68          HE21      GLN  68  10.806  -2.600   2.072
   87   HE22  GLN  68          HE22      GLN  68  10.931  -4.281   1.605
   88    H    PHE  69           HN       PHE  69   6.481   0.846   0.292
   89    HA   PHE  69           HA       PHE  69   7.177   2.209  -2.240
   90    HB2  PHE  69           HB2      PHE  69   4.760   2.435  -0.473
   91    HB3  PHE  69           HB1      PHE  69   5.274   3.807  -1.456
   92    HD1  PHE  69           HD1      PHE  69   4.148   0.293  -1.578
   93    HD2  PHE  69           HD2      PHE  69   4.827   3.876  -3.771
   94    HE1  PHE  69           HE1      PHE  69   2.949  -0.664  -3.501
   95    HE2  PHE  69           HE2      PHE  69   3.634   2.923  -5.700
   96    HZ   PHE  69           HZ       PHE  69   2.714   0.650  -5.577
   97    H    THR  70           HN       THR  70   8.173   4.198  -2.073
   98    HA   THR  70           HA       THR  70   9.227   4.859   0.558
   99    HB   THR  70           HB       THR  70  10.797   4.763  -1.330
  100    HG1  THR  70           HG1      THR  70  10.359   7.160   0.075
  101   HG21  THR  70          HG21      THR  70   9.218   7.084  -2.446
  102   HG22  THR  70          HG22      THR  70   9.303   5.457  -3.126
  103   HG23  THR  70          HG23      THR  70  10.743   6.477  -3.088
  104    H    THR  71           HN       THR  71   6.436   5.511  -0.848
  105    HA   THR  71           HA       THR  71   6.299   8.251   0.228
  106    HB   THR  71           HB       THR  71   4.559   7.281  -2.037
  107    HG1  THR  71           HG1      THR  71   7.100   8.579  -2.187
  108   HG21  THR  71          HG21      THR  71   3.809   9.269  -0.839
  109   HG22  THR  71          HG22      THR  71   4.339   9.695  -2.465
  110   HG23  THR  71          HG23      THR  71   5.383  10.028  -1.085
  111    H    SER  72           HN       SER  72   4.746   8.584   1.698
  112    HA   SER  72           HA       SER  72   3.527   6.306   2.884
  113    HB2  SER  72           HB2      SER  72   4.370   8.282   4.154
  114    HB3  SER  72           HB1      SER  72   3.030   9.227   3.503
  115    HG   SER  72           HG       SER  72   2.329   8.488   5.443
  116    H    GLY  73           HN       GLY  73   2.134   9.188   1.275
  117    HA2  GLY  73           HA2      GLY  73  -0.556   8.369   1.519
  118    HA3  GLY  73           HA1      GLY  73   0.055   9.509   0.326
  119    H    ASN  74           HN       ASN  74   1.883   7.669  -0.901
  120    HA   ASN  74           HA       ASN  74   0.214   6.476  -2.815
  121    HB2  ASN  74           HB2      ASN  74   3.128   6.055  -2.166
  122    HB3  ASN  74           HB1      ASN  74   2.328   5.228  -3.497
  123   HD21  ASN  74          HD21      ASN  74   3.642   6.213  -5.022
  124   HD22  ASN  74          HD22      ASN  74   3.478   7.884  -5.442
  125    H    LEU  75           HN       LEU  75   2.083   5.032  -0.147
  126    HA   LEU  75           HA       LEU  75   1.215   2.382  -0.698
  127    HB2  LEU  75           HB2      LEU  75   3.288   3.118   0.612
  128    HB3  LEU  75           HB1      LEU  75   2.191   3.389   1.958
  129    HG   LEU  75           HG       LEU  75   3.559   1.094   1.546
  130   HD11  LEU  75          HD11      LEU  75   0.882   1.418   2.891
  131   HD12  LEU  75          HD12      LEU  75   2.457   1.774   3.598
  132   HD13  LEU  75          HD13      LEU  75   2.033   0.114   3.190
  133   HD21  LEU  75          HD21      LEU  75   1.956  -0.616   0.842
  134   HD22  LEU  75          HD22      LEU  75   2.295   0.525  -0.460
  135   HD23  LEU  75          HD23      LEU  75   0.784   0.646   0.447
  136    H    LYS  76           HN       LYS  76   0.042   4.928   1.475
  137    HA   LYS  76           HA       LYS  76  -1.821   3.335   2.847
  138    HB2  LYS  76           HB2      LYS  76  -1.248   5.521   3.682
  139    HB3  LYS  76           HB1      LYS  76  -1.868   6.288   2.228
  140    HG2  LYS  76           HG2      LYS  76  -3.484   6.628   3.908
  141    HG3  LYS  76           HG1      LYS  76  -4.122   5.386   2.836
  142    HD2  LYS  76           HD2      LYS  76  -2.620   4.567   5.285
  143    HD3  LYS  76           HD1      LYS  76  -4.289   5.114   5.443
  144    HE2  LYS  76           HE2      LYS  76  -4.965   3.412   3.781
  145    HE3  LYS  76           HE1      LYS  76  -3.300   2.840   3.726
  146    HZ1  LYS  76           HZ1      LYS  76  -4.637   1.470   5.177
  147    HZ2  LYS  76           HZ2      LYS  76  -5.062   2.814   6.119
  148    HZ3  LYS  76           HZ3      LYS  76  -3.453   2.282   6.076
  149    H    ARG  77           HN       ARG  77  -2.307   5.455  -0.003
  150    HA   ARG  77           HA       ARG  77  -4.968   4.628  -0.483
  151    HB2  ARG  77           HB2      ARG  77  -2.891   5.680  -2.411
  152    HB3  ARG  77           HB1      ARG  77  -4.596   5.487  -2.795
  153    HG2  ARG  77           HG2      ARG  77  -5.182   7.096  -1.065
  154    HG3  ARG  77           HG1      ARG  77  -3.478   7.271  -0.640
  155    HD2  ARG  77           HD2      ARG  77  -4.184   9.104  -2.057
  156    HD3  ARG  77           HD1      ARG  77  -3.011   8.094  -2.900
  157    HE   ARG  77           HE       ARG  77  -4.945   7.097  -4.092
  158   HH11  ARG  77          HH11      ARG  77  -5.325  10.220  -2.553
  159   HH12  ARG  77          HH12      ARG  77  -6.564  10.747  -3.661
  160   HH21  ARG  77          HH21      ARG  77  -6.555   7.802  -5.553
  161   HH22  ARG  77          HH22      ARG  77  -7.263   9.376  -5.355
  162    H    HIS  78           HN       HIS  78  -1.901   3.272  -1.296
  163    HA   HIS  78           HA       HIS  78  -2.688   1.377  -3.231
  164    HB2  HIS  78           HB2      HIS  78  -0.364   2.169  -2.777
  165    HB3  HIS  78           HB1      HIS  78  -0.384   1.265  -1.266
  166    HD1  HIS  78           HD1      HIS  78  -0.477   0.681  -5.010
  167    HD2  HIS  78           HD2      HIS  78   0.373  -1.290  -1.453
  168    HE1  HIS  78           HE1      HIS  78   0.597  -1.504  -5.661
  169    H    LEU  79           HN       LEU  79  -2.128   1.052   0.283
  170    HA   LEU  79           HA       LEU  79  -3.111  -1.639   0.338
  171    HB2  LEU  79           HB2      LEU  79  -2.531   0.319   2.557
  172    HB3  LEU  79           HB1      LEU  79  -2.990  -1.361   2.819
  173    HG   LEU  79           HG       LEU  79  -0.456  -0.319   1.542
  174   HD11  LEU  79          HD11      LEU  79  -0.531  -0.299   3.988
  175   HD12  LEU  79          HD12      LEU  79   0.613  -1.499   3.389
  176   HD13  LEU  79          HD13      LEU  79  -0.962  -2.009   3.993
  177   HD21  LEU  79          HD21      LEU  79   0.188  -2.663   1.247
  178   HD22  LEU  79          HD22      LEU  79  -1.233  -2.262   0.284
  179   HD23  LEU  79          HD23      LEU  79  -1.413  -3.174   1.781
  180    H    ARG  80           HN       ARG  80  -4.512   1.474   0.516
  181    HA   ARG  80           HA       ARG  80  -6.876   0.985   1.913
  182    HB2  ARG  80           HB2      ARG  80  -5.969   3.188   0.989
  183    HB3  ARG  80           HB1      ARG  80  -6.662   2.713  -0.552
  184    HG2  ARG  80           HG2      ARG  80  -8.885   2.657   0.473
  185    HG3  ARG  80           HG1      ARG  80  -8.174   3.147   2.015
  186    HD2  ARG  80           HD2      ARG  80  -7.257   5.165   0.811
  187    HD3  ARG  80           HD1      ARG  80  -8.266   4.706  -0.556
  188    HE   ARG  80           HE       ARG  80  -9.962   4.816   1.620
  189   HH11  ARG  80          HH11      ARG  80  -7.857   7.006  -0.106
  190   HH12  ARG  80          HH12      ARG  80  -8.746   8.433   0.329
  191   HH21  ARG  80          HH21      ARG  80 -11.169   6.671   2.179
  192   HH22  ARG  80          HH22      ARG  80 -10.644   8.240   1.637
  193    H    ILE  81           HN       ILE  81  -6.173   0.656  -1.562
  194    HA   ILE  81           HA       ILE  81  -8.730  -0.482  -2.133
  195    HB   ILE  81           HB       ILE  81  -7.443   0.758  -3.840
  196   HG12  ILE  81          HG12      ILE  81  -7.870  -0.792  -5.715
  197   HG13  ILE  81          HG11      ILE  81  -8.046  -2.116  -4.567
  198   HG21  ILE  81          HG21      ILE  81  -5.623  -1.640  -3.862
  199   HG22  ILE  81          HG22      ILE  81  -5.207  -0.019  -3.305
  200   HG23  ILE  81          HG23      ILE  81  -5.584  -0.297  -5.006
  201   HD11  ILE  81          HD11      ILE  81 -10.201  -1.300  -5.299
  202   HD12  ILE  81          HD12      ILE  81  -9.795   0.323  -4.745
  203   HD13  ILE  81          HD13      ILE  81  -9.974  -0.988  -3.578
  204    H    HIS  82           HN       HIS  82  -5.576  -1.751  -1.285
  205    HA   HIS  82           HA       HIS  82  -5.988  -4.453  -1.942
  206    HB2  HIS  82           HB2      HIS  82  -4.204  -2.996  -0.051
  207    HB3  HIS  82           HB1      HIS  82  -4.399  -4.729   0.191
  208    HD1  HIS  82           HD1      HIS  82  -3.801  -6.227  -2.076
  209    HD2  HIS  82           HD2      HIS  82  -2.323  -2.336  -1.846
  210    HE1  HIS  82           HE1      HIS  82  -1.824  -6.083  -3.680
  211    H    SER  83           HN       SER  83  -6.687  -2.652   1.024
  212    HA   SER  83           HA       SER  83  -7.691  -4.986   2.377
  213    HB2  SER  83           HB2      SER  83  -7.941  -2.099   3.241
  214    HB3  SER  83           HB1      SER  83  -8.019  -3.540   4.258
  215    HG   SER  83           HG       SER  83  -5.776  -2.411   2.952
  216    H    GLY  84           HN       GLY  84  -8.975  -2.735   0.213
  217    HA2  GLY  84           HA2      GLY  84 -11.099  -2.606  -0.687
  218    HA3  GLY  84           HA1      GLY  84 -11.608  -3.858   0.438
  219    H    GLU  85           HN       GLU  85 -10.064  -0.898   1.445
  220    HA   GLU  85           HA       GLU  85 -12.504  -0.212   2.898
  221    HB2  GLU  85           HB2      GLU  85 -11.006   1.096   4.370
  222    HB3  GLU  85           HB1      GLU  85 -10.607  -0.615   4.347
  223    HG2  GLU  85           HG2      GLU  85  -8.738  -0.219   2.901
  224    HG3  GLU  85           HG1      GLU  85  -9.188   1.475   2.720
  225    H    LYS  86           HN       LYS  86 -13.120   1.946   3.006
  226    HA   LYS  86           HA       LYS  86 -12.276   3.537   0.677
  227    HB2  LYS  86           HB2      LYS  86 -14.913   3.536   2.160
  228    HB3  LYS  86           HB1      LYS  86 -14.531   4.524   0.755
  229    HG2  LYS  86           HG2      LYS  86 -14.455   2.657  -0.672
  230    HG3  LYS  86           HG1      LYS  86 -14.399   1.527   0.680
  231    HD2  LYS  86           HD2      LYS  86 -16.741   3.298  -0.007
  232    HD3  LYS  86           HD1      LYS  86 -16.601   1.592  -0.430
  233    HE2  LYS  86           HE2      LYS  86 -16.403   1.062   1.987
  234    HE3  LYS  86           HE1      LYS  86 -16.692   2.763   2.347
  235    HZ1  LYS  86           HZ1      LYS  86 -18.856   2.593   1.311
  236    HZ2  LYS  86           HZ2      LYS  86 -18.706   1.432   2.535
  237    HZ3  LYS  86           HZ3      LYS  86 -18.574   0.970   0.909
  Start of MODEL   10
    1    H1   GLY  58           HT1      GLY  58   8.872   5.279   6.437
    2    H2   GLY  58           HT2      GLY  58  10.076   6.467   6.562
    3    H3   GLY  58           HT3      GLY  58  10.501   4.856   6.240
    4    HA2  GLY  58           HA1      GLY  58   8.936   6.617   4.432
    5    HA3  GLY  58           HA2      GLY  58  10.638   6.204   4.232
    6    HA   PRO  59           HA       PRO  59   9.773   2.735   1.619
    7    HB2  PRO  59           HB2      PRO  59  11.332   1.301   3.746
    8    HB3  PRO  59           HB1      PRO  59  11.451   1.159   1.988
    9    HG2  PRO  59           HG2      PRO  59  13.202   2.619   3.375
   10    HG3  PRO  59           HG1      PRO  59  12.636   3.130   1.776
   11    HD2  PRO  59           HD2      PRO  59  12.028   4.263   4.429
   12    HD3  PRO  59           HD1      PRO  59  11.921   5.016   2.825
   13    H    LEU  60           HN       LEU  60   7.761   2.023   1.671
   14    HA   LEU  60           HA       LEU  60   6.808   0.606   4.042
   15    HB2  LEU  60           HB2      LEU  60   5.245   2.046   1.920
   16    HB3  LEU  60           HB1      LEU  60   4.529   1.133   3.240
   17    HG   LEU  60           HG       LEU  60   6.275   3.572   3.582
   18   HD11  LEU  60          HD11      LEU  60   4.136   4.130   2.550
   19   HD12  LEU  60          HD12      LEU  60   4.219   4.717   4.212
   20   HD13  LEU  60          HD13      LEU  60   3.289   3.268   3.834
   21   HD21  LEU  60          HD21      LEU  60   5.491   3.483   5.906
   22   HD22  LEU  60          HD22      LEU  60   6.417   2.049   5.466
   23   HD23  LEU  60          HD23      LEU  60   4.658   1.970   5.558
   24    H    LYS  61           HN       LYS  61   6.893  -1.466   3.853
   25    HA   LYS  61           HA       LYS  61   6.990  -2.757   1.273
   26    HB2  LYS  61           HB2      LYS  61   8.365  -3.362   3.344
   27    HB3  LYS  61           HB1      LYS  61   6.893  -4.066   3.994
   28    HG2  LYS  61           HG2      LYS  61   8.180  -5.821   3.067
   29    HG3  LYS  61           HG1      LYS  61   6.818  -5.548   1.976
   30    HD2  LYS  61           HD2      LYS  61   8.184  -4.436   0.398
   31    HD3  LYS  61           HD1      LYS  61   9.516  -4.284   1.549
   32    HE2  LYS  61           HE2      LYS  61   9.790  -6.718   1.543
   33    HE3  LYS  61           HE1      LYS  61   8.465  -6.865   0.390
   34    HZ1  LYS  61           HZ1      LYS  61   9.740  -5.711  -1.244
   35    HZ2  LYS  61           HZ2      LYS  61  10.700  -6.965  -0.628
   36    HZ3  LYS  61           HZ3      LYS  61  10.974  -5.363  -0.137
   37    H    CYS  62           HN       CYS  62   5.146  -3.199   0.209
   38    HA   CYS  62           HA       CYS  62   2.621  -3.342   1.531
   39    HB2  CYS  62           HB2      CYS  62   2.659  -2.586  -0.779
   40    HB3  CYS  62           HB1      CYS  62   3.390  -4.105  -1.314
   41    H    ARG  63           HN       ARG  63   2.135  -4.948   2.813
   42    HA   ARG  63           HA       ARG  63   3.432  -7.404   2.959
   43    HB2  ARG  63           HB2      ARG  63   2.058  -6.318   4.749
   44    HB3  ARG  63           HB1      ARG  63   0.613  -6.794   3.869
   45    HG2  ARG  63           HG2      ARG  63   1.015  -8.339   5.663
   46    HG3  ARG  63           HG1      ARG  63   1.277  -9.156   4.120
   47    HD2  ARG  63           HD2      ARG  63   3.689  -8.820   4.361
   48    HD3  ARG  63           HD1      ARG  63   3.421  -8.011   5.904
   49    HE   ARG  63           HE       ARG  63   2.277 -10.630   5.850
   50   HH11  ARG  63          HH11      ARG  63   5.250  -8.856   6.288
   51   HH12  ARG  63          HH12      ARG  63   6.019 -10.097   7.228
   52   HH21  ARG  63          HH21      ARG  63   3.261 -12.273   7.078
   53   HH22  ARG  63          HH22      ARG  63   4.880 -12.063   7.667
   54    H    GLU  64           HN       GLU  64   0.802  -6.391   0.937
   55    HA   GLU  64           HA       GLU  64   0.017  -9.133   0.362
   56    HB2  GLU  64           HB2      GLU  64  -1.166  -6.456  -0.300
   57    HB3  GLU  64           HB1      GLU  64  -1.732  -7.936  -1.079
   58    HG2  GLU  64           HG2      GLU  64  -1.699  -7.441   1.892
   59    HG3  GLU  64           HG1      GLU  64  -3.111  -7.293   0.842
   60    H    CYS  65           HN       CYS  65   1.933  -6.639  -1.070
   61    HA   CYS  65           HA       CYS  65   1.913  -8.090  -3.635
   62    HB2  CYS  65           HB2      CYS  65   2.771  -5.326  -2.873
   63    HB3  CYS  65           HB1      CYS  65   3.243  -6.046  -4.418
   64    H    GLY  66           HN       GLY  66   4.076  -6.875  -1.117
   65    HA2  GLY  66           HA2      GLY  66   6.107  -7.948  -0.520
   66    HA3  GLY  66           HA1      GLY  66   6.145  -8.706  -2.113
   67    H    LYS  67           HN       LYS  67   5.285  -5.609  -2.675
   68    HA   LYS  67           HA       LYS  67   8.055  -4.772  -2.975
   69    HB2  LYS  67           HB2      LYS  67   7.141  -3.155  -4.702
   70    HB3  LYS  67           HB1      LYS  67   7.158  -4.862  -5.140
   71    HG2  LYS  67           HG2      LYS  67   5.112  -4.203  -5.910
   72    HG3  LYS  67           HG1      LYS  67   4.692  -4.810  -4.308
   73    HD2  LYS  67           HD2      LYS  67   4.336  -2.699  -3.457
   74    HD3  LYS  67           HD1      LYS  67   5.363  -1.920  -4.666
   75    HE2  LYS  67           HE2      LYS  67   2.664  -3.164  -5.155
   76    HE3  LYS  67           HE1      LYS  67   3.006  -1.437  -5.065
   77    HZ1  LYS  67           HZ1      LYS  67   2.875  -2.132  -7.356
   78    HZ2  LYS  67           HZ2      LYS  67   4.041  -3.333  -7.106
   79    HZ3  LYS  67           HZ3      LYS  67   4.478  -1.696  -6.999
   80    H    GLN  68           HN       GLN  68   7.634  -2.039  -3.267
   81    HA   GLN  68           HA       GLN  68   6.940  -1.356  -0.505
   82    HB2  GLN  68           HB2      GLN  68   9.200  -2.426  -0.542
   83    HB3  GLN  68           HB1      GLN  68   9.750  -1.126  -1.594
   84    HG2  GLN  68           HG2      GLN  68   9.404   0.489   0.140
   85    HG3  GLN  68           HG1      GLN  68   8.668  -0.729   1.183
   86   HE21  GLN  68          HE21      GLN  68  11.612   0.446  -0.230
   87   HE22  GLN  68          HE22      GLN  68  12.702  -0.426   0.823
   88    H    PHE  69           HN       PHE  69   6.837   0.888  -0.060
   89    HA   PHE  69           HA       PHE  69   7.116   2.619  -2.451
   90    HB2  PHE  69           HB2      PHE  69   4.850   2.480  -0.473
   91    HB3  PHE  69           HB1      PHE  69   5.145   3.927  -1.444
   92    HD1  PHE  69           HD1      PHE  69   4.074   0.433  -1.487
   93    HD2  PHE  69           HD2      PHE  69   4.736   3.929  -3.820
   94    HE1  PHE  69           HE1      PHE  69   2.800  -0.568  -3.338
   95    HE2  PHE  69           HE2      PHE  69   3.463   2.935  -5.672
   96    HZ   PHE  69           HZ       PHE  69   2.477   0.708  -5.434
   97    H    THR  70           HN       THR  70   7.977   4.620  -2.140
   98    HA   THR  70           HA       THR  70   9.345   5.077   0.356
   99    HB   THR  70           HB       THR  70  10.273   7.069  -0.865
  100    HG1  THR  70           HG1      THR  70   8.769   7.550  -2.396
  101   HG21  THR  70          HG21      THR  70  11.639   5.743  -2.409
  102   HG22  THR  70          HG22      THR  70  10.500   4.403  -2.268
  103   HG23  THR  70          HG23      THR  70  11.440   4.916  -0.865
  104    H    THR  71           HN       THR  71   6.477   6.138  -1.193
  105    HA   THR  71           HA       THR  71   6.239   8.485   0.551
  106    HB   THR  71           HB       THR  71   4.435   7.783  -1.764
  107    HG1  THR  71           HG1      THR  71   6.785   9.410  -1.874
  108   HG21  THR  71          HG21      THR  71   4.034  10.195  -1.815
  109   HG22  THR  71          HG22      THR  71   5.168  10.422  -0.485
  110   HG23  THR  71          HG23      THR  71   3.665   9.539  -0.219
  111    H    SER  72           HN       SER  72   4.812   8.529   2.147
  112    HA   SER  72           HA       SER  72   3.627   6.194   3.126
  113    HB2  SER  72           HB2      SER  72   2.874   9.031   3.839
  114    HB3  SER  72           HB1      SER  72   2.678   7.597   4.845
  115    HG   SER  72           HG       SER  72   5.116   8.794   4.000
  116    H    GLY  73           HN       GLY  73   2.123   9.002   1.529
  117    HA2  GLY  73           HA2      GLY  73  -0.530   8.072   1.696
  118    HA3  GLY  73           HA1      GLY  73   0.069   9.256   0.543
  119    H    ASN  74           HN       ASN  74   2.014   7.430  -0.627
  120    HA   ASN  74           HA       ASN  74   0.421   6.358  -2.680
  121    HB2  ASN  74           HB2      ASN  74   3.314   5.953  -1.930
  122    HB3  ASN  74           HB1      ASN  74   2.587   5.102  -3.289
  123   HD21  ASN  74          HD21      ASN  74   3.920   6.126  -4.774
  124   HD22  ASN  74          HD22      ASN  74   3.712   7.789  -5.204
  125    H    LEU  75           HN       LEU  75   2.035   4.808   0.075
  126    HA   LEU  75           HA       LEU  75   1.134   2.189  -0.695
  127    HB2  LEU  75           HB2      LEU  75   3.259   2.731   0.572
  128    HB3  LEU  75           HB1      LEU  75   2.239   3.054   1.967
  129    HG   LEU  75           HG       LEU  75   3.445   0.748   1.695
  130   HD11  LEU  75          HD11      LEU  75   0.582   1.045   2.575
  131   HD12  LEU  75          HD12      LEU  75   2.023   1.316   3.553
  132   HD13  LEU  75          HD13      LEU  75   1.635  -0.307   2.985
  133   HD21  LEU  75          HD21      LEU  75   2.034  -0.953   0.671
  134   HD22  LEU  75          HD22      LEU  75   2.552   0.240  -0.520
  135   HD23  LEU  75          HD23      LEU  75   0.912   0.292   0.124
  136    H    LYS  76           HN       LYS  76   0.021   4.717   1.485
  137    HA   LYS  76           HA       LYS  76  -1.895   3.138   2.848
  138    HB2  LYS  76           HB2      LYS  76  -1.461   6.067   2.486
  139    HB3  LYS  76           HB1      LYS  76  -2.999   5.514   3.135
  140    HG2  LYS  76           HG2      LYS  76  -0.289   4.887   4.291
  141    HG3  LYS  76           HG1      LYS  76  -1.420   6.098   4.903
  142    HD2  LYS  76           HD2      LYS  76  -2.141   4.437   6.234
  143    HD3  LYS  76           HD1      LYS  76  -3.004   3.890   4.798
  144    HE2  LYS  76           HE2      LYS  76  -1.899   1.980   5.587
  145    HE3  LYS  76           HE1      LYS  76  -0.902   2.554   4.250
  146    HZ1  LYS  76           HZ1      LYS  76   0.639   3.515   5.782
  147    HZ2  LYS  76           HZ2      LYS  76   0.371   1.910   6.264
  148    HZ3  LYS  76           HZ3      LYS  76  -0.372   3.184   7.101
  149    H    ARG  77           HN       ARG  77  -2.150   5.265   0.018
  150    HA   ARG  77           HA       ARG  77  -4.861   4.688  -0.567
  151    HB2  ARG  77           HB2      ARG  77  -3.722   6.600  -1.536
  152    HB3  ARG  77           HB1      ARG  77  -2.572   5.547  -2.344
  153    HG2  ARG  77           HG2      ARG  77  -4.393   4.635  -3.713
  154    HG3  ARG  77           HG1      ARG  77  -5.519   5.747  -2.924
  155    HD2  ARG  77           HD2      ARG  77  -4.205   7.641  -3.728
  156    HD3  ARG  77           HD1      ARG  77  -3.079   6.535  -4.508
  157    HE   ARG  77           HE       ARG  77  -5.519   5.902  -5.571
  158   HH11  ARG  77          HH11      ARG  77  -3.584   8.804  -5.322
  159   HH12  ARG  77          HH12      ARG  77  -4.208   9.501  -6.791
  160   HH21  ARG  77          HH21      ARG  77  -6.314   6.789  -7.519
  161   HH22  ARG  77          HH22      ARG  77  -5.733   8.342  -8.056
  162    H    HIS  78           HN       HIS  78  -1.829   3.166  -1.341
  163    HA   HIS  78           HA       HIS  78  -2.732   1.314  -3.257
  164    HB2  HIS  78           HB2      HIS  78  -0.359   1.985  -2.825
  165    HB3  HIS  78           HB1      HIS  78  -0.410   1.045  -1.336
  166    HD1  HIS  78           HD1      HIS  78  -0.916   0.422  -5.078
  167    HD2  HIS  78           HD2      HIS  78   0.447  -1.441  -1.616
  168    HE1  HIS  78           HE1      HIS  78   0.021  -1.808  -5.798
  169    H    LEU  79           HN       LEU  79  -2.267   1.025   0.278
  170    HA   LEU  79           HA       LEU  79  -3.306  -1.642   0.347
  171    HB2  LEU  79           HB2      LEU  79  -2.853   0.367   2.551
  172    HB3  LEU  79           HB1      LEU  79  -3.400  -1.284   2.823
  173    HG   LEU  79           HG       LEU  79  -0.718  -0.378   1.771
  174   HD11  LEU  79          HD11      LEU  79  -1.573  -1.991   4.174
  175   HD12  LEU  79          HD12      LEU  79  -1.010  -0.320   4.186
  176   HD13  LEU  79          HD13      LEU  79   0.091  -1.619   3.724
  177   HD21  LEU  79          HD21      LEU  79  -1.409  -2.291   0.446
  178   HD22  LEU  79          HD22      LEU  79  -1.857  -3.172   1.907
  179   HD23  LEU  79          HD23      LEU  79  -0.166  -2.776   1.600
  180    H    ARG  80           HN       ARG  80  -4.693   1.480   0.304
  181    HA   ARG  80           HA       ARG  80  -7.160   1.014   1.541
  182    HB2  ARG  80           HB2      ARG  80  -6.342   3.237   0.840
  183    HB3  ARG  80           HB1      ARG  80  -6.530   2.769  -0.842
  184    HG2  ARG  80           HG2      ARG  80  -8.941   2.582  -0.528
  185    HG3  ARG  80           HG1      ARG  80  -8.753   3.036   1.170
  186    HD2  ARG  80           HD2      ARG  80  -7.803   5.181   0.495
  187    HD3  ARG  80           HD1      ARG  80  -7.967   4.731  -1.199
  188    HE   ARG  80           HE       ARG  80 -10.497   4.515  -0.220
  189   HH11  ARG  80          HH11      ARG  80  -8.093   7.060  -0.184
  190   HH12  ARG  80          HH12      ARG  80  -9.269   8.345  -0.253
  191   HH21  ARG  80          HH21      ARG  80 -12.043   6.187  -0.262
  192   HH22  ARG  80          HH22      ARG  80 -11.510   7.852  -0.283
  193    H    ILE  81           HN       ILE  81  -6.167   0.599  -1.861
  194    HA   ILE  81           HA       ILE  81  -8.671  -0.551  -2.622
  195    HB   ILE  81           HB       ILE  81  -7.124   0.590  -4.235
  196   HG12  ILE  81          HG12      ILE  81  -7.510  -1.029  -6.089
  197   HG13  ILE  81          HG11      ILE  81  -7.977  -2.233  -4.893
  198   HG21  ILE  81          HG21      ILE  81  -5.551  -1.971  -4.041
  199   HG22  ILE  81          HG22      ILE  81  -5.021  -0.380  -3.499
  200   HG23  ILE  81          HG23      ILE  81  -5.287  -0.680  -5.216
  201   HD11  ILE  81          HD11      ILE  81  -9.369   0.385  -5.400
  202   HD12  ILE  81          HD12      ILE  81  -9.838  -0.818  -4.198
  203   HD13  ILE  81          HD13      ILE  81  -9.921  -1.210  -5.915
  204    H    HIS  82           HN       HIS  82  -5.702  -1.783  -1.282
  205    HA   HIS  82           HA       HIS  82  -6.134  -4.535  -1.821
  206    HB2  HIS  82           HB2      HIS  82  -4.444  -3.006   0.114
  207    HB3  HIS  82           HB1      HIS  82  -4.694  -4.728   0.402
  208    HD1  HIS  82           HD1      HIS  82  -3.898  -6.342  -1.663
  209    HD2  HIS  82           HD2      HIS  82  -2.470  -2.428  -1.640
  210    HE1  HIS  82           HE1      HIS  82  -1.835  -6.283  -3.172
  211    H    SER  83           HN       SER  83  -7.057  -2.417   0.847
  212    HA   SER  83           HA       SER  83  -8.296  -4.522   2.351
  213    HB2  SER  83           HB2      SER  83  -8.676  -1.534   2.647
  214    HB3  SER  83           HB1      SER  83  -9.001  -2.768   3.862
  215    HG   SER  83           HG       SER  83  -6.479  -1.973   2.820
  216    H    GLY  84           HN       GLY  84  -9.234  -2.381  -0.180
  217    HA2  GLY  84           HA2      GLY  84 -11.130  -2.665  -1.537
  218    HA3  GLY  84           HA1      GLY  84 -11.859  -3.646  -0.273
  219    H    GLU  85           HN       GLU  85 -10.459  -0.649   0.657
  220    HA   GLU  85           HA       GLU  85 -13.055   0.253   1.532
  221    HB2  GLU  85           HB2      GLU  85 -10.319   1.471   1.924
  222    HB3  GLU  85           HB1      GLU  85 -11.801   2.029   2.686
  223    HG2  GLU  85           HG2      GLU  85 -12.010  -0.222   3.746
  224    HG3  GLU  85           HG1      GLU  85 -10.407  -0.602   3.115
  225    H    LYS  86           HN       LYS  86 -14.258   1.605   0.481
  226    HA   LYS  86           HA       LYS  86 -13.211   2.955  -1.880
  227    HB2  LYS  86           HB2      LYS  86 -16.040   2.596  -0.873
  228    HB3  LYS  86           HB1      LYS  86 -15.602   3.385  -2.381
  229    HG2  LYS  86           HG2      LYS  86 -14.632   1.292  -3.191
  230    HG3  LYS  86           HG1      LYS  86 -15.080   0.504  -1.678
  231    HD2  LYS  86           HD2      LYS  86 -16.698   0.018  -3.449
  232    HD3  LYS  86           HD1      LYS  86 -17.439   0.939  -2.138
  233    HE2  LYS  86           HE2      LYS  86 -18.134   1.767  -4.343
  234    HE3  LYS  86           HE1      LYS  86 -17.243   2.986  -3.434
  235    HZ1  LYS  86           HZ1      LYS  86 -16.611   2.793  -5.817
  236    HZ2  LYS  86           HZ2      LYS  86 -15.993   1.247  -5.491
  237    HZ3  LYS  86           HZ3      LYS  86 -15.314   2.609  -4.741
  Start of MODEL   11
    1    H1   GLY  58           HT1      GLY  58  10.299   5.797   4.971
    2    H2   GLY  58           HT2      GLY  58   8.980   6.680   4.382
    3    H3   GLY  58           HT3      GLY  58  10.484   7.437   4.580
    4    HA2  GLY  58           HA1      GLY  58  10.096   6.974   2.256
    5    HA3  GLY  58           HA2      GLY  58  11.449   6.020   2.871
    6    HA   PRO  59           HA       PRO  59   9.283   2.879   0.531
    7    HB2  PRO  59           HB2      PRO  59  11.271   1.146   1.910
    8    HB3  PRO  59           HB1      PRO  59  10.882   1.269   0.189
    9    HG2  PRO  59           HG2      PRO  59  13.122   2.336   1.138
   10    HG3  PRO  59           HG1      PRO  59  12.171   3.173  -0.104
   11    HD2  PRO  59           HD2      PRO  59  12.350   3.716   2.833
   12    HD3  PRO  59           HD1      PRO  59  12.256   4.859   1.476
   13    H    LEU  60           HN       LEU  60   7.371   2.359   1.305
   14    HA   LEU  60           HA       LEU  60   7.205   0.911   3.846
   15    HB2  LEU  60           HB2      LEU  60   5.041   2.306   2.285
   16    HB3  LEU  60           HB1      LEU  60   4.777   1.400   3.767
   17    HG   LEU  60           HG       LEU  60   6.348   3.956   3.464
   18   HD11  LEU  60          HD11      LEU  60   3.915   4.206   3.448
   19   HD12  LEU  60          HD12      LEU  60   4.630   4.879   4.913
   20   HD13  LEU  60          HD13      LEU  60   3.817   3.316   4.967
   21   HD21  LEU  60          HD21      LEU  60   7.432   2.453   5.074
   22   HD22  LEU  60          HD22      LEU  60   5.904   2.287   5.938
   23   HD23  LEU  60          HD23      LEU  60   6.709   3.854   5.868
   24    H    LYS  61           HN       LYS  61   6.407  -1.110   3.971
   25    HA   LYS  61           HA       LYS  61   6.600  -2.596   1.513
   26    HB2  LYS  61           HB2      LYS  61   7.663  -3.406   3.561
   27    HB3  LYS  61           HB1      LYS  61   6.101  -3.481   4.362
   28    HG2  LYS  61           HG2      LYS  61   6.430  -5.673   3.790
   29    HG3  LYS  61           HG1      LYS  61   5.487  -5.098   2.413
   30    HD2  LYS  61           HD2      LYS  61   7.285  -6.375   1.530
   31    HD3  LYS  61           HD1      LYS  61   7.671  -4.677   1.237
   32    HE2  LYS  61           HE2      LYS  61   9.258  -4.627   2.967
   33    HE3  LYS  61           HE1      LYS  61   8.669  -6.135   3.661
   34    HZ1  LYS  61           HZ1      LYS  61  10.067  -5.857   1.054
   35    HZ2  LYS  61           HZ2      LYS  61   9.487  -7.305   1.716
   36    HZ3  LYS  61           HZ3      LYS  61  10.743  -6.464   2.487
   37    H    CYS  62           HN       CYS  62   4.954  -3.212   0.251
   38    HA   CYS  62           HA       CYS  62   2.257  -3.392   1.350
   39    HB2  CYS  62           HB2      CYS  62   2.458  -2.515  -0.948
   40    HB3  CYS  62           HB1      CYS  62   3.294  -3.983  -1.453
   41    H    ARG  63           HN       ARG  63   2.155  -5.174   2.659
   42    HA   ARG  63           HA       ARG  63   3.849  -7.393   2.321
   43    HB2  ARG  63           HB2      ARG  63   1.323  -7.099   3.934
   44    HB3  ARG  63           HB1      ARG  63   2.391  -8.494   4.020
   45    HG2  ARG  63           HG2      ARG  63   4.230  -6.736   4.531
   46    HG3  ARG  63           HG1      ARG  63   2.864  -5.694   4.942
   47    HD2  ARG  63           HD2      ARG  63   3.765  -6.899   6.897
   48    HD3  ARG  63           HD1      ARG  63   2.077  -7.303   6.566
   49    HE   ARG  63           HE       ARG  63   4.221  -9.037   5.541
   50   HH11  ARG  63          HH11      ARG  63   1.527  -8.535   7.703
   51   HH12  ARG  63          HH12      ARG  63   1.251 -10.230   7.968
   52   HH21  ARG  63          HH21      ARG  63   3.876 -11.259   5.877
   53   HH22  ARG  63          HH22      ARG  63   2.598 -11.789   6.928
   54    H    GLU  64           HN       GLU  64   0.753  -6.658   0.963
   55    HA   GLU  64           HA       GLU  64   0.104  -9.362   0.279
   56    HB2  GLU  64           HB2      GLU  64  -1.012  -6.761  -0.786
   57    HB3  GLU  64           HB1      GLU  64  -1.678  -8.365  -1.110
   58    HG2  GLU  64           HG2      GLU  64  -1.535  -6.935   1.535
   59    HG3  GLU  64           HG1      GLU  64  -2.977  -7.351   0.608
   60    H    CYS  65           HN       CYS  65   1.847  -6.749  -1.299
   61    HA   CYS  65           HA       CYS  65   2.066  -8.332  -3.749
   62    HB2  CYS  65           HB2      CYS  65   2.799  -5.511  -3.012
   63    HB3  CYS  65           HB1      CYS  65   3.338  -6.249  -4.530
   64    H    GLY  66           HN       GLY  66   4.032  -6.907  -1.188
   65    HA2  GLY  66           HA2      GLY  66   5.976  -8.006  -0.325
   66    HA3  GLY  66           HA1      GLY  66   6.205  -8.774  -1.899
   67    H    LYS  67           HN       LYS  67   5.279  -5.633  -2.264
   68    HA   LYS  67           HA       LYS  67   8.010  -4.786  -2.838
   69    HB2  LYS  67           HB2      LYS  67   7.061  -3.308  -4.501
   70    HB3  LYS  67           HB1      LYS  67   6.497  -4.955  -4.783
   71    HG2  LYS  67           HG2      LYS  67   4.412  -4.243  -3.457
   72    HG3  LYS  67           HG1      LYS  67   4.976  -2.592  -3.747
   73    HD2  LYS  67           HD2      LYS  67   5.200  -3.360  -6.200
   74    HD3  LYS  67           HD1      LYS  67   4.139  -4.683  -5.705
   75    HE2  LYS  67           HE2      LYS  67   2.369  -3.244  -5.232
   76    HE3  LYS  67           HE1      LYS  67   3.413  -1.824  -5.172
   77    HZ1  LYS  67           HZ1      LYS  67   2.054  -1.970  -7.220
   78    HZ2  LYS  67           HZ2      LYS  67   2.862  -3.400  -7.634
   79    HZ3  LYS  67           HZ3      LYS  67   3.720  -1.939  -7.533
   80    H    GLN  68           HN       GLN  68   7.741  -2.169  -2.972
   81    HA   GLN  68           HA       GLN  68   6.692  -1.269  -0.400
   82    HB2  GLN  68           HB2      GLN  68   9.568  -0.912  -1.268
   83    HB3  GLN  68           HB1      GLN  68   8.832  -0.152   0.145
   84    HG2  GLN  68           HG2      GLN  68   8.366  -2.421   1.040
   85    HG3  GLN  68           HG1      GLN  68   9.271  -3.093  -0.314
   86   HE21  GLN  68          HE21      GLN  68   9.431  -1.387   2.679
   87   HE22  GLN  68          HE22      GLN  68  11.160  -1.469   2.877
   88    H    PHE  69           HN       PHE  69   6.838   1.130  -0.167
   89    HA   PHE  69           HA       PHE  69   6.733   2.468  -2.783
   90    HB2  PHE  69           HB2      PHE  69   4.567   2.240  -0.761
   91    HB3  PHE  69           HB1      PHE  69   4.759   3.794  -1.584
   92    HD1  PHE  69           HD1      PHE  69   4.091   0.203  -2.080
   93    HD2  PHE  69           HD2      PHE  69   4.151   4.075  -3.838
   94    HE1  PHE  69           HE1      PHE  69   2.861  -0.668  -4.020
   95    HE2  PHE  69           HE2      PHE  69   2.912   3.211  -5.785
   96    HZ   PHE  69           HZ       PHE  69   2.267   0.837  -5.875
   97    H    THR  70           HN       THR  70   7.633   4.358  -2.856
   98    HA   THR  70           HA       THR  70   9.382   5.133  -0.802
   99    HB   THR  70           HB       THR  70   8.619   6.920  -3.083
  100    HG1  THR  70           HG1      THR  70   9.609   5.580  -4.502
  101   HG21  THR  70          HG21      THR  70  11.038   7.331  -3.095
  102   HG22  THR  70          HG22      THR  70  11.225   6.190  -1.760
  103   HG23  THR  70          HG23      THR  70  10.318   7.684  -1.525
  104    H    THR  71           HN       THR  71   6.156   6.142  -1.610
  105    HA   THR  71           HA       THR  71   6.361   8.367   0.304
  106    HB   THR  71           HB       THR  71   4.342   8.076  -1.933
  107    HG1  THR  71           HG1      THR  71   6.938   8.816  -2.003
  108   HG21  THR  71          HG21      THR  71   5.081  10.414  -0.165
  109   HG22  THR  71          HG22      THR  71   3.586   9.482  -0.084
  110   HG23  THR  71          HG23      THR  71   3.936  10.467  -1.505
  111    H    SER  72           HN       SER  72   5.156   8.309   2.049
  112    HA   SER  72           HA       SER  72   3.963   5.984   2.968
  113    HB2  SER  72           HB2      SER  72   3.353   8.775   3.952
  114    HB3  SER  72           HB1      SER  72   3.251   7.273   4.871
  115    HG   SER  72           HG       SER  72   5.192   8.514   5.252
  116    H    GLY  73           HN       GLY  73   2.403   8.901   1.655
  117    HA2  GLY  73           HA2      GLY  73  -0.254   8.037   2.044
  118    HA3  GLY  73           HA1      GLY  73   0.265   9.255   0.885
  119    H    ASN  74           HN       ASN  74   2.037   7.489  -0.552
  120    HA   ASN  74           HA       ASN  74   0.225   6.481  -2.447
  121    HB2  ASN  74           HB2      ASN  74   3.190   6.060  -2.073
  122    HB3  ASN  74           HB1      ASN  74   2.296   5.295  -3.383
  123   HD21  ASN  74          HD21      ASN  74   3.304   6.379  -5.022
  124   HD22  ASN  74          HD22      ASN  74   3.112   8.080  -5.296
  125    H    LEU  75           HN       LEU  75   2.141   4.863   0.058
  126    HA   LEU  75           HA       LEU  75   1.288   2.237  -0.682
  127    HB2  LEU  75           HB2      LEU  75   3.383   2.965   0.659
  128    HB3  LEU  75           HB1      LEU  75   2.288   3.020   2.033
  129    HG   LEU  75           HG       LEU  75   3.751   0.894   1.558
  130   HD11  LEU  75          HD11      LEU  75   0.855   0.759   2.365
  131   HD12  LEU  75          HD12      LEU  75   2.212   1.161   3.417
  132   HD13  LEU  75          HD13      LEU  75   2.084  -0.454   2.719
  133   HD21  LEU  75          HD21      LEU  75   2.510  -0.819   0.336
  134   HD22  LEU  75          HD22      LEU  75   2.956   0.528  -0.711
  135   HD23  LEU  75          HD23      LEU  75   1.302   0.381  -0.119
  136    H    LYS  76           HN       LYS  76   0.241   4.630   1.699
  137    HA   LYS  76           HA       LYS  76  -1.630   3.021   3.049
  138    HB2  LYS  76           HB2      LYS  76  -0.759   5.292   3.753
  139    HB3  LYS  76           HB1      LYS  76  -1.866   5.997   2.587
  140    HG2  LYS  76           HG2      LYS  76  -2.814   6.094   4.800
  141    HG3  LYS  76           HG1      LYS  76  -3.755   4.991   3.795
  142    HD2  LYS  76           HD2      LYS  76  -1.554   3.789   5.365
  143    HD3  LYS  76           HD1      LYS  76  -2.926   4.403   6.288
  144    HE2  LYS  76           HE2      LYS  76  -3.168   2.493   3.965
  145    HE3  LYS  76           HE1      LYS  76  -3.087   1.986   5.652
  146    HZ1  LYS  76           HZ1      LYS  76  -5.169   3.788   4.527
  147    HZ2  LYS  76           HZ2      LYS  76  -5.108   3.186   6.108
  148    HZ3  LYS  76           HZ3      LYS  76  -5.376   2.128   4.809
  149    H    ARG  77           HN       ARG  77  -2.086   5.336   0.380
  150    HA   ARG  77           HA       ARG  77  -4.769   4.798  -0.196
  151    HB2  ARG  77           HB2      ARG  77  -3.536   6.687  -1.109
  152    HB3  ARG  77           HB1      ARG  77  -2.469   5.605  -1.983
  153    HG2  ARG  77           HG2      ARG  77  -4.376   4.866  -3.348
  154    HG3  ARG  77           HG1      ARG  77  -5.399   6.035  -2.501
  155    HD2  ARG  77           HD2      ARG  77  -4.635   7.003  -4.578
  156    HD3  ARG  77           HD1      ARG  77  -3.876   7.830  -3.217
  157    HE   ARG  77           HE       ARG  77  -2.349   5.674  -4.430
  158   HH11  ARG  77          HH11      ARG  77  -2.912   9.121  -4.170
  159   HH12  ARG  77          HH12      ARG  77  -1.374   9.545  -4.866
  160   HH21  ARG  77          HH21      ARG  77  -0.324   6.231  -5.311
  161   HH22  ARG  77          HH22      ARG  77   0.091   7.910  -5.507
  162    H    HIS  78           HN       HIS  78  -1.804   3.300  -1.274
  163    HA   HIS  78           HA       HIS  78  -2.743   1.551  -3.225
  164    HB2  HIS  78           HB2      HIS  78  -0.380   2.118  -2.799
  165    HB3  HIS  78           HB1      HIS  78  -0.439   1.220  -1.284
  166    HD1  HIS  78           HD1      HIS  78  -0.586   0.655  -5.027
  167    HD2  HIS  78           HD2      HIS  78   0.150  -1.399  -1.483
  168    HE1  HIS  78           HE1      HIS  78   0.315  -1.602  -5.694
  169    H    LEU  79           HN       LEU  79  -2.452   1.123   0.281
  170    HA   LEU  79           HA       LEU  79  -3.340  -1.604   0.157
  171    HB2  LEU  79           HB2      LEU  79  -2.870   0.238   2.495
  172    HB3  LEU  79           HB1      LEU  79  -3.317  -1.457   2.645
  173    HG   LEU  79           HG       LEU  79  -0.760  -0.343   1.480
  174   HD11  LEU  79          HD11      LEU  79   0.280  -1.573   3.314
  175   HD12  LEU  79          HD12      LEU  79  -1.309  -2.089   3.878
  176   HD13  LEU  79          HD13      LEU  79  -0.872  -0.381   3.916
  177   HD21  LEU  79          HD21      LEU  79  -1.724  -3.201   1.594
  178   HD22  LEU  79          HD22      LEU  79  -0.093  -2.690   1.156
  179   HD23  LEU  79          HD23      LEU  79  -1.461  -2.237   0.140
  180    H    ARG  80           HN       ARG  80  -4.904   1.469   0.437
  181    HA   ARG  80           HA       ARG  80  -7.327   0.621   1.615
  182    HB2  ARG  80           HB2      ARG  80  -6.911   2.752  -0.498
  183    HB3  ARG  80           HB1      ARG  80  -8.369   2.543   0.465
  184    HG2  ARG  80           HG2      ARG  80  -7.088   3.008   2.492
  185    HG3  ARG  80           HG1      ARG  80  -5.638   3.225   1.510
  186    HD2  ARG  80           HD2      ARG  80  -6.571   5.381   2.055
  187    HD3  ARG  80           HD1      ARG  80  -6.749   5.079   0.329
  188    HE   ARG  80           HE       ARG  80  -9.112   4.506   0.834
  189   HH11  ARG  80          HH11      ARG  80  -7.300   6.474   3.077
  190   HH12  ARG  80          HH12      ARG  80  -8.694   7.310   3.681
  191   HH21  ARG  80          HH21      ARG  80 -10.972   5.606   1.619
  192   HH22  ARG  80          HH22      ARG  80 -10.784   6.794   2.882
  193    H    ILE  81           HN       ILE  81  -6.155   0.672  -1.688
  194    HA   ILE  81           HA       ILE  81  -8.443  -0.464  -2.912
  195    HB   ILE  81           HB       ILE  81  -5.550  -0.602  -3.791
  196   HG12  ILE  81          HG12      ILE  81  -7.754   1.316  -4.587
  197   HG13  ILE  81          HG11      ILE  81  -6.430   1.700  -3.493
  198   HG21  ILE  81          HG21      ILE  81  -6.906  -2.294  -4.896
  199   HG22  ILE  81          HG22      ILE  81  -6.451  -1.022  -6.029
  200   HG23  ILE  81          HG23      ILE  81  -8.083  -1.066  -5.363
  201   HD11  ILE  81          HD11      ILE  81  -4.838   1.325  -5.313
  202   HD12  ILE  81          HD12      ILE  81  -6.007   2.589  -5.697
  203   HD13  ILE  81          HD13      ILE  81  -6.180   0.982  -6.403
  204    H    HIS  82           HN       HIS  82  -5.531  -1.864  -1.496
  205    HA   HIS  82           HA       HIS  82  -6.038  -4.554  -2.172
  206    HB2  HIS  82           HB2      HIS  82  -4.281  -3.153  -0.215
  207    HB3  HIS  82           HB1      HIS  82  -4.535  -4.887  -0.004
  208    HD1  HIS  82           HD1      HIS  82  -3.863  -6.377  -2.229
  209    HD2  HIS  82           HD2      HIS  82  -2.377  -2.490  -1.987
  210    HE1  HIS  82           HE1      HIS  82  -1.822  -6.264  -3.757
  211    H    SER  83           HN       SER  83  -7.160  -2.548   0.462
  212    HA   SER  83           HA       SER  83  -8.159  -4.799   1.975
  213    HB2  SER  83           HB2      SER  83  -8.599  -1.838   2.416
  214    HB3  SER  83           HB1      SER  83  -8.911  -3.131   3.576
  215    HG   SER  83           HG       SER  83  -6.413  -2.258   2.548
  216    H    GLY  84           HN       GLY  84  -9.679  -1.942   0.449
  217    HA2  GLY  84           HA2      GLY  84 -11.612  -2.760  -1.064
  218    HA3  GLY  84           HA1      GLY  84 -12.224  -3.420   0.447
  219    H    GLU  85           HN       GLU  85 -11.506  -1.353   2.179
  220    HA   GLU  85           HA       GLU  85 -13.537   0.569   1.626
  221    HB2  GLU  85           HB2      GLU  85 -11.428   0.486   3.788
  222    HB3  GLU  85           HB1      GLU  85 -12.734   1.659   3.720
  223    HG2  GLU  85           HG2      GLU  85 -13.706   0.176   5.109
  224    HG3  GLU  85           HG1      GLU  85 -14.190  -0.560   3.585
  225    H    LYS  86           HN       LYS  86 -13.151   1.808  -0.091
  226    HA   LYS  86           HA       LYS  86 -10.638   3.338  -0.176
  227    HB2  LYS  86           HB2      LYS  86 -12.545   2.518  -2.372
  228    HB3  LYS  86           HB1      LYS  86 -11.247   3.682  -2.609
  229    HG2  LYS  86           HG2      LYS  86  -9.610   2.090  -2.476
  230    HG3  LYS  86           HG1      LYS  86 -10.583   1.020  -1.464
  231    HD2  LYS  86           HD2      LYS  86 -11.091   1.566  -4.390
  232    HD3  LYS  86           HD1      LYS  86 -10.245   0.150  -3.757
  233    HE2  LYS  86           HE2      LYS  86 -12.313  -0.316  -2.383
  234    HE3  LYS  86           HE1      LYS  86 -13.121   0.935  -3.324
  235    HZ1  LYS  86           HZ1      LYS  86 -13.484  -1.351  -4.153
  236    HZ2  LYS  86           HZ2      LYS  86 -11.831  -1.462  -4.506
  237    HZ3  LYS  86           HZ3      LYS  86 -12.794  -0.322  -5.312
  Start of MODEL   12
    1    H1   GLY  58           HT1      GLY  58   8.955   8.002   4.613
    2    H2   GLY  58           HT2      GLY  58   8.402   6.459   5.046
    3    H3   GLY  58           HT3      GLY  58   7.795   7.220   3.659
    4    HA2  GLY  58           HA1      GLY  58   9.900   7.076   2.561
    5    HA3  GLY  58           HA2      GLY  58  10.624   6.412   4.026
    6    HA   PRO  59           HA       PRO  59   9.978   2.754   1.392
    7    HB2  PRO  59           HB2      PRO  59  11.152   1.142   3.371
    8    HB3  PRO  59           HB1      PRO  59  11.955   1.814   1.951
    9    HG2  PRO  59           HG2      PRO  59  11.884   2.826   4.746
   10    HG3  PRO  59           HG1      PRO  59  13.211   2.867   3.569
   11    HD2  PRO  59           HD2      PRO  59  11.815   5.064   4.112
   12    HD3  PRO  59           HD1      PRO  59  12.304   4.703   2.440
   13    H    LEU  60           HN       LEU  60   8.012   2.052   1.363
   14    HA   LEU  60           HA       LEU  60   6.861   0.915   3.805
   15    HB2  LEU  60           HB2      LEU  60   5.450   2.528   1.698
   16    HB3  LEU  60           HB1      LEU  60   4.618   1.597   2.935
   17    HG   LEU  60           HG       LEU  60   6.418   3.979   3.380
   18   HD11  LEU  60          HD11      LEU  60   4.205   4.540   2.542
   19   HD12  LEU  60          HD12      LEU  60   4.372   5.014   4.232
   20   HD13  LEU  60          HD13      LEU  60   3.466   3.562   3.809
   21   HD21  LEU  60          HD21      LEU  60   5.855   3.757   5.735
   22   HD22  LEU  60          HD22      LEU  60   6.702   2.322   5.155
   23   HD23  LEU  60          HD23      LEU  60   4.955   2.281   5.393
   24    H    LYS  61           HN       LYS  61   6.832  -1.191   3.585
   25    HA   LYS  61           HA       LYS  61   6.767  -2.336   0.936
   26    HB2  LYS  61           HB2      LYS  61   8.304  -3.262   2.586
   27    HB3  LYS  61           HB1      LYS  61   6.959  -3.647   3.652
   28    HG2  LYS  61           HG2      LYS  61   6.480  -5.531   2.561
   29    HG3  LYS  61           HG1      LYS  61   6.696  -4.782   0.978
   30    HD2  LYS  61           HD2      LYS  61   8.324  -6.549   1.311
   31    HD3  LYS  61           HD1      LYS  61   9.124  -4.977   1.226
   32    HE2  LYS  61           HE2      LYS  61   9.347  -4.916   3.633
   33    HE3  LYS  61           HE1      LYS  61   8.415  -6.403   3.791
   34    HZ1  LYS  61           HZ1      LYS  61  10.757  -6.849   4.000
   35    HZ2  LYS  61           HZ2      LYS  61  11.077  -6.135   2.496
   36    HZ3  LYS  61           HZ3      LYS  61  10.168  -7.567   2.582
   37    H    CYS  62           HN       CYS  62   5.130  -3.302  -0.028
   38    HA   CYS  62           HA       CYS  62   2.537  -3.352   1.275
   39    HB2  CYS  62           HB2      CYS  62   2.647  -2.595  -1.075
   40    HB3  CYS  62           HB1      CYS  62   3.366  -4.135  -1.554
   41    H    ARG  63           HN       ARG  63   2.643  -4.988   2.764
   42    HA   ARG  63           HA       ARG  63   3.920  -7.422   2.606
   43    HB2  ARG  63           HB2      ARG  63   2.888  -6.623   4.644
   44    HB3  ARG  63           HB1      ARG  63   1.292  -6.719   3.917
   45    HG2  ARG  63           HG2      ARG  63   1.664  -9.204   3.712
   46    HG3  ARG  63           HG1      ARG  63   3.096  -8.981   4.720
   47    HD2  ARG  63           HD2      ARG  63   1.103  -9.645   6.021
   48    HD3  ARG  63           HD1      ARG  63   1.753  -8.078   6.510
   49    HE   ARG  63           HE       ARG  63  -0.297  -7.829   4.532
   50   HH11  ARG  63          HH11      ARG  63   0.211  -8.299   7.982
   51   HH12  ARG  63          HH12      ARG  63  -1.314  -7.578   8.406
   52   HH21  ARG  63          HH21      ARG  63  -2.252  -6.896   5.108
   53   HH22  ARG  63          HH22      ARG  63  -2.698  -6.780   6.787
   54    H    GLU  64           HN       GLU  64   0.802  -6.482   1.321
   55    HA   GLU  64           HA       GLU  64  -0.138  -9.026   0.591
   56    HB2  GLU  64           HB2      GLU  64  -0.769  -6.255  -0.419
   57    HB3  GLU  64           HB1      GLU  64  -1.615  -7.694  -0.989
   58    HG2  GLU  64           HG2      GLU  64  -2.854  -6.481   0.743
   59    HG3  GLU  64           HG1      GLU  64  -2.458  -8.126   1.222
   60    H    CYS  65           HN       CYS  65   1.854  -6.687  -1.172
   61    HA   CYS  65           HA       CYS  65   1.819  -8.407  -3.545
   62    HB2  CYS  65           HB2      CYS  65   2.751  -5.604  -3.022
   63    HB3  CYS  65           HB1      CYS  65   3.182  -6.450  -4.509
   64    H    GLY  66           HN       GLY  66   4.037  -6.994  -1.191
   65    HA2  GLY  66           HA2      GLY  66   5.967  -8.220  -0.431
   66    HA3  GLY  66           HA1      GLY  66   6.086  -8.953  -2.032
   67    H    LYS  67           HN       LYS  67   5.267  -5.856  -2.519
   68    HA   LYS  67           HA       LYS  67   7.979  -5.074  -3.152
   69    HB2  LYS  67           HB2      LYS  67   6.810  -3.241  -4.427
   70    HB3  LYS  67           HB1      LYS  67   6.535  -4.886  -5.008
   71    HG2  LYS  67           HG2      LYS  67   4.390  -4.897  -3.757
   72    HG3  LYS  67           HG1      LYS  67   4.661  -3.194  -3.373
   73    HD2  LYS  67           HD2      LYS  67   4.715  -4.231  -6.176
   74    HD3  LYS  67           HD1      LYS  67   3.212  -3.719  -5.400
   75    HE2  LYS  67           HE2      LYS  67   4.017  -1.506  -5.120
   76    HE3  LYS  67           HE1      LYS  67   5.659  -1.979  -5.566
   77    HZ1  LYS  67           HZ1      LYS  67   4.813  -2.484  -7.812
   78    HZ2  LYS  67           HZ2      LYS  67   4.648  -0.850  -7.394
   79    HZ3  LYS  67           HZ3      LYS  67   3.294  -1.871  -7.364
   80    H    GLN  68           HN       GLN  68   7.947  -2.473  -3.072
   81    HA   GLN  68           HA       GLN  68   7.085  -1.521  -0.470
   82    HB2  GLN  68           HB2      GLN  68   9.159  -2.741   0.033
   83    HB3  GLN  68           HB1      GLN  68  10.025  -1.770  -1.161
   84    HG2  GLN  68           HG2      GLN  68   9.845   0.174   0.146
   85    HG3  GLN  68           HG1      GLN  68   8.617  -0.542   1.186
   86   HE21  GLN  68          HE21      GLN  68   9.226  -1.932   2.814
   87   HE22  GLN  68          HE22      GLN  68  10.875  -2.084   3.348
   88    H    PHE  69           HN       PHE  69   7.040   0.681  -0.275
   89    HA   PHE  69           HA       PHE  69   7.627   2.178  -2.764
   90    HB2  PHE  69           HB2      PHE  69   5.467   2.558  -0.673
   91    HB3  PHE  69           HB1      PHE  69   5.829   3.755  -1.919
   92    HD1  PHE  69           HD1      PHE  69   4.783   0.240  -1.417
   93    HD2  PHE  69           HD2      PHE  69   4.861   3.588  -4.038
   94    HE1  PHE  69           HE1      PHE  69   3.275  -0.940  -2.959
   95    HE2  PHE  69           HE2      PHE  69   3.355   2.414  -5.589
   96    HZ   PHE  69           HZ       PHE  69   2.542   0.188  -5.064
   97    H    THR  70           HN       THR  70   7.596   4.724  -1.999
   98    HA   THR  70           HA       THR  70   9.197   4.940   0.451
   99    HB   THR  70           HB       THR  70  10.703   4.973  -1.547
  100    HG1  THR  70           HG1      THR  70  11.812   6.124  -0.175
  101   HG21  THR  70          HG21      THR  70   9.234   6.049  -3.158
  102   HG22  THR  70          HG22      THR  70  10.716   6.986  -2.972
  103   HG23  THR  70          HG23      THR  70   9.229   7.529  -2.197
  104    H    THR  71           HN       THR  71   6.363   5.517  -0.470
  105    HA   THR  71           HA       THR  71   6.230   8.240   0.590
  106    HB   THR  71           HB       THR  71   4.715   7.304  -1.860
  107    HG1  THR  71           HG1      THR  71   6.078   8.605  -2.993
  108   HG21  THR  71          HG21      THR  71   4.706   9.984  -0.460
  109   HG22  THR  71          HG22      THR  71   3.381   8.818  -0.466
  110   HG23  THR  71          HG23      THR  71   3.873   9.606  -1.967
  111    H    SER  72           HN       SER  72   4.766   8.447   2.120
  112    HA   SER  72           HA       SER  72   3.502   6.200   3.212
  113    HB2  SER  72           HB2      SER  72   2.383   8.021   4.670
  114    HB3  SER  72           HB1      SER  72   4.139   7.862   4.728
  115    HG   SER  72           HG       SER  72   2.921  10.045   4.298
  116    H    GLY  73           HN       GLY  73   1.977   9.127   1.830
  117    HA2  GLY  73           HA2      GLY  73  -0.657   8.188   2.022
  118    HA3  GLY  73           HA1      GLY  73  -0.112   9.445   0.922
  119    H    ASN  74           HN       ASN  74   1.721   7.741  -0.516
  120    HA   ASN  74           HA       ASN  74  -0.053   6.751  -2.473
  121    HB2  ASN  74           HB2      ASN  74   2.251   7.548  -2.947
  122    HB3  ASN  74           HB1      ASN  74   2.887   6.122  -2.138
  123   HD21  ASN  74          HD21      ASN  74   0.028   6.086  -4.165
  124   HD22  ASN  74          HD22      ASN  74   0.716   5.146  -5.445
  125    H    LEU  75           HN       LEU  75   1.992   5.092  -0.073
  126    HA   LEU  75           HA       LEU  75   1.178   2.476  -0.850
  127    HB2  LEU  75           HB2      LEU  75   3.295   3.133   0.409
  128    HB3  LEU  75           HB1      LEU  75   2.271   3.281   1.829
  129    HG   LEU  75           HG       LEU  75   3.661   1.084   1.338
  130   HD11  LEU  75          HD11      LEU  75   2.303   1.523   3.315
  131   HD12  LEU  75          HD12      LEU  75   2.094  -0.131   2.740
  132   HD13  LEU  75          HD13      LEU  75   0.849   1.078   2.420
  133   HD21  LEU  75          HD21      LEU  75   2.290  -0.646   0.324
  134   HD22  LEU  75          HD22      LEU  75   2.613   0.647  -0.831
  135   HD23  LEU  75          HD23      LEU  75   1.038   0.541  -0.044
  136    H    LYS  76           HN       LYS  76   0.085   4.760   1.636
  137    HA   LYS  76           HA       LYS  76  -1.728   3.036   2.911
  138    HB2  LYS  76           HB2      LYS  76  -1.860   6.035   2.560
  139    HB3  LYS  76           HB1      LYS  76  -2.915   5.117   3.622
  140    HG2  LYS  76           HG2      LYS  76   0.058   4.969   3.930
  141    HG3  LYS  76           HG1      LYS  76  -0.853   6.316   4.605
  142    HD2  LYS  76           HD2      LYS  76  -0.612   4.733   6.349
  143    HD3  LYS  76           HD1      LYS  76  -2.278   4.605   5.794
  144    HE2  LYS  76           HE2      LYS  76  -1.812   2.588   4.621
  145    HE3  LYS  76           HE1      LYS  76  -0.073   2.777   4.853
  146    HZ1  LYS  76           HZ1      LYS  76  -1.014   1.146   6.370
  147    HZ2  LYS  76           HZ2      LYS  76  -2.075   2.308   6.999
  148    HZ3  LYS  76           HZ3      LYS  76  -0.403   2.476   7.227
  149    H    ARG  77           HN       ARG  77  -2.261   5.357   0.264
  150    HA   ARG  77           HA       ARG  77  -4.927   4.668  -0.292
  151    HB2  ARG  77           HB2      ARG  77  -3.721   6.639  -1.218
  152    HB3  ARG  77           HB1      ARG  77  -2.797   5.558  -2.250
  153    HG2  ARG  77           HG2      ARG  77  -4.897   4.841  -3.324
  154    HG3  ARG  77           HG1      ARG  77  -5.769   6.018  -2.337
  155    HD2  ARG  77           HD2      ARG  77  -4.276   7.784  -3.296
  156    HD3  ARG  77           HD1      ARG  77  -3.647   6.565  -4.402
  157    HE   ARG  77           HE       ARG  77  -6.431   6.569  -4.630
  158   HH11  ARG  77          HH11      ARG  77  -3.677   8.619  -5.333
  159   HH12  ARG  77          HH12      ARG  77  -4.502   9.535  -6.564
  160   HH21  ARG  77          HH21      ARG  77  -7.532   7.765  -6.254
  161   HH22  ARG  77          HH22      ARG  77  -6.698   9.045  -7.090
  162    H    HIS  78           HN       HIS  78  -1.889   3.363  -1.452
  163    HA   HIS  78           HA       HIS  78  -2.754   1.515  -3.325
  164    HB2  HIS  78           HB2      HIS  78  -0.415   2.152  -2.920
  165    HB3  HIS  78           HB1      HIS  78  -0.459   1.333  -1.359
  166    HD1  HIS  78           HD1      HIS  78  -0.467   0.585  -5.068
  167    HD2  HIS  78           HD2      HIS  78   0.088  -1.330  -1.417
  168    HE1  HIS  78           HE1      HIS  78   0.503  -1.683  -5.603
  169    H    LEU  79           HN       LEU  79  -2.400   1.164   0.192
  170    HA   LEU  79           HA       LEU  79  -3.295  -1.563   0.122
  171    HB2  LEU  79           HB2      LEU  79  -2.799   0.269   2.463
  172    HB3  LEU  79           HB1      LEU  79  -3.156  -1.452   2.581
  173    HG   LEU  79           HG       LEU  79  -0.689  -0.166   1.406
  174   HD11  LEU  79          HD11      LEU  79   0.463  -1.398   3.144
  175   HD12  LEU  79          HD12      LEU  79  -1.059  -2.099   3.690
  176   HD13  LEU  79          HD13      LEU  79  -0.778  -0.365   3.853
  177   HD21  LEU  79          HD21      LEU  79   0.101  -2.418   0.897
  178   HD22  LEU  79          HD22      LEU  79  -1.358  -2.037  -0.016
  179   HD23  LEU  79          HD23      LEU  79  -1.452  -3.087   1.397
  180    H    ARG  80           HN       ARG  80  -4.831   1.521   0.427
  181    HA   ARG  80           HA       ARG  80  -7.267   0.714   1.595
  182    HB2  ARG  80           HB2      ARG  80  -6.802   2.749  -0.600
  183    HB3  ARG  80           HB1      ARG  80  -8.294   2.574   0.311
  184    HG2  ARG  80           HG2      ARG  80  -5.647   3.232   1.562
  185    HG3  ARG  80           HG1      ARG  80  -6.806   4.446   1.027
  186    HD2  ARG  80           HD2      ARG  80  -7.144   4.151   3.358
  187    HD3  ARG  80           HD1      ARG  80  -8.491   3.366   2.539
  188    HE   ARG  80           HE       ARG  80  -6.310   1.593   3.186
  189   HH11  ARG  80          HH11      ARG  80  -9.307   3.026   4.278
  190   HH12  ARG  80          HH12      ARG  80  -9.593   1.821   5.500
  191   HH21  ARG  80          HH21      ARG  80  -6.675  -0.013   4.781
  192   HH22  ARG  80          HH22      ARG  80  -8.089   0.093   5.796
  193    H    ILE  81           HN       ILE  81  -6.157   0.746  -1.751
  194    HA   ILE  81           HA       ILE  81  -8.369  -0.496  -2.941
  195    HB   ILE  81           HB       ILE  81  -5.459  -0.754  -3.743
  196   HG12  ILE  81          HG12      ILE  81  -7.549   1.237  -4.664
  197   HG13  ILE  81          HG11      ILE  81  -6.244   1.597  -3.536
  198   HG21  ILE  81          HG21      ILE  81  -6.314  -1.228  -5.978
  199   HG22  ILE  81          HG22      ILE  81  -7.970  -1.117  -5.379
  200   HG23  ILE  81          HG23      ILE  81  -6.913  -2.411  -4.814
  201   HD11  ILE  81          HD11      ILE  81  -5.732   2.385  -5.776
  202   HD12  ILE  81          HD12      ILE  81  -5.914   0.746  -6.404
  203   HD13  ILE  81          HD13      ILE  81  -4.609   1.119  -5.279
  204    H    HIS  82           HN       HIS  82  -5.478  -1.837  -1.412
  205    HA   HIS  82           HA       HIS  82  -6.035  -4.565  -1.892
  206    HB2  HIS  82           HB2      HIS  82  -4.257  -3.057  -0.024
  207    HB3  HIS  82           HB1      HIS  82  -4.515  -4.778   0.269
  208    HD1  HIS  82           HD1      HIS  82  -3.783  -6.404  -1.786
  209    HD2  HIS  82           HD2      HIS  82  -2.407  -2.469  -1.905
  210    HE1  HIS  82           HE1      HIS  82  -1.849  -6.349  -3.433
  211    H    SER  83           HN       SER  83  -7.493  -2.329   0.214
  212    HA   SER  83           HA       SER  83  -8.529  -4.457   1.939
  213    HB2  SER  83           HB2      SER  83  -7.579  -2.471   3.064
  214    HB3  SER  83           HB1      SER  83  -8.759  -1.449   2.242
  215    HG   SER  83           HG       SER  83 -10.379  -2.858   3.281
  216    H    GLY  84           HN       GLY  84  -9.313  -3.065  -0.903
  217    HA2  GLY  84           HA2      GLY  84 -11.240  -3.257  -2.155
  218    HA3  GLY  84           HA1      GLY  84 -12.025  -3.988  -0.763
  219    H    GLU  85           HN       GLU  85 -10.474  -0.894  -0.469
  220    HA   GLU  85           HA       GLU  85 -12.926   0.343   0.320
  221    HB2  GLU  85           HB2      GLU  85 -10.165   1.469  -0.151
  222    HB3  GLU  85           HB1      GLU  85 -11.516   2.417   0.453
  223    HG2  GLU  85           HG2      GLU  85 -10.382  -0.022   1.802
  224    HG3  GLU  85           HG1      GLU  85 -10.005   1.647   2.231
  225    H    LYS  86           HN       LYS  86 -14.354   0.412  -1.298
  226    HA   LYS  86           HA       LYS  86 -13.709   1.264  -3.961
  227    HB2  LYS  86           HB2      LYS  86 -15.529  -0.363  -3.409
  228    HB3  LYS  86           HB1      LYS  86 -16.417   0.944  -2.640
  229    HG2  LYS  86           HG2      LYS  86 -16.491   2.121  -4.807
  230    HG3  LYS  86           HG1      LYS  86 -15.690   0.737  -5.554
  231    HD2  LYS  86           HD2      LYS  86 -17.563  -0.700  -4.821
  232    HD3  LYS  86           HD1      LYS  86 -18.367   0.723  -4.158
  233    HE2  LYS  86           HE2      LYS  86 -19.336   0.323  -6.284
  234    HE3  LYS  86           HE1      LYS  86 -18.274   1.719  -6.464
  235    HZ1  LYS  86           HZ1      LYS  86 -16.573   0.219  -7.376
  236    HZ2  LYS  86           HZ2      LYS  86 -17.986   0.225  -8.311
  237    HZ3  LYS  86           HZ3      LYS  86 -17.666  -1.076  -7.271
  Start of MODEL   13
    1    H1   GLY  58           HT1      GLY  58   7.766   6.801   4.992
    2    H2   GLY  58           HT2      GLY  58   8.684   8.225   4.905
    3    H3   GLY  58           HT3      GLY  58   9.406   6.783   5.430
    4    HA2  GLY  58           HA1      GLY  58   8.374   7.343   2.702
    5    HA3  GLY  58           HA2      GLY  58  10.069   7.245   3.170
    6    HA   PRO  59           HA       PRO  59  10.337   3.018   1.984
    7    HB2  PRO  59           HB2      PRO  59  11.473   2.644   4.729
    8    HB3  PRO  59           HB1      PRO  59  12.078   2.059   3.175
    9    HG2  PRO  59           HG2      PRO  59  13.172   4.181   4.363
   10    HG3  PRO  59           HG1      PRO  59  12.977   4.114   2.601
   11    HD2  PRO  59           HD2      PRO  59  11.478   5.701   4.611
   12    HD3  PRO  59           HD1      PRO  59  11.790   6.046   2.898
   13    H    LEU  60           HN       LEU  60   8.538   1.920   1.882
   14    HA   LEU  60           HA       LEU  60   7.371   0.877   4.347
   15    HB2  LEU  60           HB2      LEU  60   5.889   2.024   1.995
   16    HB3  LEU  60           HB1      LEU  60   5.124   1.043   3.231
   17    HG   LEU  60           HG       LEU  60   6.429   3.731   3.664
   18   HD11  LEU  60          HD11      LEU  60   3.537   2.896   3.696
   19   HD12  LEU  60          HD12      LEU  60   4.322   3.900   2.477
   20   HD13  LEU  60          HD13      LEU  60   4.153   4.492   4.129
   21   HD21  LEU  60          HD21      LEU  60   6.694   2.286   5.617
   22   HD22  LEU  60          HD22      LEU  60   4.964   1.938   5.601
   23   HD23  LEU  60          HD23      LEU  60   5.533   3.574   5.937
   24    H    LYS  61           HN       LYS  61   5.990  -1.093   3.923
   25    HA   LYS  61           HA       LYS  61   7.077  -2.568   1.616
   26    HB2  LYS  61           HB2      LYS  61   7.951  -3.051   4.092
   27    HB3  LYS  61           HB1      LYS  61   6.502  -4.047   4.135
   28    HG2  LYS  61           HG2      LYS  61   8.466  -5.340   3.487
   29    HG3  LYS  61           HG1      LYS  61   7.272  -5.286   2.188
   30    HD2  LYS  61           HD2      LYS  61   8.533  -3.597   1.025
   31    HD3  LYS  61           HD1      LYS  61   9.663  -3.453   2.370
   32    HE2  LYS  61           HE2      LYS  61   9.261  -5.975   0.766
   33    HE3  LYS  61           HE1      LYS  61  10.506  -4.774   0.418
   34    HZ1  LYS  61           HZ1      LYS  61  11.450  -6.511   1.725
   35    HZ2  LYS  61           HZ2      LYS  61  10.229  -6.391   2.895
   36    HZ3  LYS  61           HZ3      LYS  61  11.347  -5.127   2.700
   37    H    CYS  62           HN       CYS  62   5.597  -3.551   0.395
   38    HA   CYS  62           HA       CYS  62   2.810  -3.428   1.300
   39    HB2  CYS  62           HB2      CYS  62   3.997  -2.488  -0.950
   40    HB3  CYS  62           HB1      CYS  62   3.504  -4.069  -1.523
   41    H    ARG  63           HN       ARG  63   2.991  -5.298   2.579
   42    HA   ARG  63           HA       ARG  63   4.372  -7.607   2.017
   43    HB2  ARG  63           HB2      ARG  63   1.873  -7.277   3.676
   44    HB3  ARG  63           HB1      ARG  63   2.948  -8.669   3.741
   45    HG2  ARG  63           HG2      ARG  63   4.764  -7.282   4.508
   46    HG3  ARG  63           HG1      ARG  63   3.768  -5.837   4.343
   47    HD2  ARG  63           HD2      ARG  63   2.289  -6.609   6.085
   48    HD3  ARG  63           HD1      ARG  63   3.152  -8.145   6.181
   49    HE   ARG  63           HE       ARG  63   4.990  -6.076   6.611
   50   HH11  ARG  63          HH11      ARG  63   2.165  -7.403   8.218
   51   HH12  ARG  63          HH12      ARG  63   2.805  -7.126   9.815
   52   HH21  ARG  63          HH21      ARG  63   5.791  -5.682   8.677
   53   HH22  ARG  63          HH22      ARG  63   4.869  -6.145  10.076
   54    H    GLU  64           HN       GLU  64   1.069  -6.837   1.104
   55    HA   GLU  64           HA       GLU  64   0.337  -9.404   0.160
   56    HB2  GLU  64           HB2      GLU  64  -0.826  -7.098  -1.276
   57    HB3  GLU  64           HB1      GLU  64  -1.627  -8.456  -0.489
   58    HG2  GLU  64           HG2      GLU  64  -2.281  -6.474   0.635
   59    HG3  GLU  64           HG1      GLU  64  -1.181  -7.347   1.703
   60    H    CYS  65           HN       CYS  65   2.053  -6.712  -1.276
   61    HA   CYS  65           HA       CYS  65   1.950  -7.917  -3.930
   62    HB2  CYS  65           HB2      CYS  65   3.069  -5.289  -2.934
   63    HB3  CYS  65           HB1      CYS  65   3.084  -5.805  -4.620
   64    H    GLY  66           HN       GLY  66   4.225  -7.023  -1.396
   65    HA2  GLY  66           HA2      GLY  66   6.207  -8.235  -0.912
   66    HA3  GLY  66           HA1      GLY  66   6.226  -8.826  -2.574
   67    H    LYS  67           HN       LYS  67   5.442  -5.588  -2.319
   68    HA   LYS  67           HA       LYS  67   8.082  -4.819  -3.263
   69    HB2  LYS  67           HB2      LYS  67   7.017  -3.074  -4.517
   70    HB3  LYS  67           HB1      LYS  67   6.222  -4.607  -4.878
   71    HG2  LYS  67           HG2      LYS  67   4.507  -3.939  -3.127
   72    HG3  LYS  67           HG1      LYS  67   5.217  -2.323  -3.220
   73    HD2  LYS  67           HD2      LYS  67   4.872  -2.474  -5.722
   74    HD3  LYS  67           HD1      LYS  67   3.895  -3.908  -5.397
   75    HE2  LYS  67           HE2      LYS  67   2.406  -2.612  -4.004
   76    HE3  LYS  67           HE1      LYS  67   3.391  -1.172  -4.243
   77    HZ1  LYS  67           HZ1      LYS  67   1.501  -1.094  -5.705
   78    HZ2  LYS  67           HZ2      LYS  67   1.866  -2.627  -6.342
   79    HZ3  LYS  67           HZ3      LYS  67   2.900  -1.316  -6.636
   80    H    GLN  68           HN       GLN  68   8.011  -2.210  -3.002
   81    HA   GLN  68           HA       GLN  68   7.516  -1.578  -0.191
   82    HB2  GLN  68           HB2      GLN  68   9.725  -0.940   0.301
   83    HB3  GLN  68           HB1      GLN  68   9.889  -2.496  -0.513
   84    HG2  GLN  68           HG2      GLN  68  10.694  -1.509  -2.477
   85    HG3  GLN  68           HG1      GLN  68  10.152   0.097  -1.995
   86   HE21  GLN  68          HE21      GLN  68  11.133  -0.312   0.766
   87   HE22  GLN  68          HE22      GLN  68  12.862  -0.107   0.666
   88    H    PHE  69           HN       PHE  69   7.594   0.706   0.262
   89    HA   PHE  69           HA       PHE  69   7.384   2.329  -2.198
   90    HB2  PHE  69           HB2      PHE  69   5.600   2.268   0.214
   91    HB3  PHE  69           HB1      PHE  69   5.760   3.751  -0.734
   92    HD1  PHE  69           HD1      PHE  69   4.525   0.312  -0.700
   93    HD2  PHE  69           HD2      PHE  69   4.866   3.891  -2.975
   94    HE1  PHE  69           HE1      PHE  69   2.843  -0.536  -2.283
   95    HE2  PHE  69           HE2      PHE  69   3.186   3.048  -4.560
   96    HZ   PHE  69           HZ       PHE  69   2.181   0.851  -4.234
   97    H    THR  70           HN       THR  70   7.778   4.621  -1.864
   98    HA   THR  70           HA       THR  70   9.503   5.180   0.450
   99    HB   THR  70           HB       THR  70  10.736   5.104  -1.731
  100    HG1  THR  70           HG1      THR  70  10.967   7.778  -1.144
  101   HG21  THR  70          HG21      THR  70  10.421   6.909  -3.349
  102   HG22  THR  70          HG22      THR  70   9.058   7.522  -2.411
  103   HG23  THR  70          HG23      THR  70   8.955   5.942  -3.188
  104    H    THR  71           HN       THR  71   6.560   5.489  -0.492
  105    HA   THR  71           HA       THR  71   6.191   8.216   0.521
  106    HB   THR  71           HB       THR  71   4.721   7.074  -1.868
  107    HG1  THR  71           HG1      THR  71   6.677   9.153  -1.799
  108   HG21  THR  71          HG21      THR  71   4.684   9.842  -0.659
  109   HG22  THR  71          HG22      THR  71   3.389   8.650  -0.549
  110   HG23  THR  71          HG23      THR  71   3.825   9.336  -2.113
  111    H    SER  72           HN       SER  72   4.718   8.264   2.090
  112    HA   SER  72           HA       SER  72   3.447   5.874   2.966
  113    HB2  SER  72           HB2      SER  72   4.266   7.703   4.470
  114    HB3  SER  72           HB1      SER  72   2.936   8.709   3.898
  115    HG   SER  72           HG       SER  72   2.690   7.387   5.931
  116    H    GLY  73           HN       GLY  73   2.267   8.860   1.440
  117    HA2  GLY  73           HA2      GLY  73  -0.483   8.213   1.530
  118    HA3  GLY  73           HA1      GLY  73   0.263   9.354   0.420
  119    H    ASN  74           HN       ASN  74   2.040   7.267  -0.685
  120    HA   ASN  74           HA       ASN  74   0.311   6.320  -2.726
  121    HB2  ASN  74           HB2      ASN  74   3.206   6.010  -2.101
  122    HB3  ASN  74           HB1      ASN  74   2.476   4.831  -3.185
  123   HD21  ASN  74          HD21      ASN  74   4.491   6.842  -3.766
  124   HD22  ASN  74          HD22      ASN  74   3.827   7.837  -5.015
  125    H    LEU  75           HN       LEU  75   2.068   4.630  -0.105
  126    HA   LEU  75           HA       LEU  75   0.887   2.115  -0.690
  127    HB2  LEU  75           HB2      LEU  75   2.954   2.890   0.888
  128    HB3  LEU  75           HB1      LEU  75   1.716   2.628   2.113
  129    HG   LEU  75           HG       LEU  75   2.976   0.639   0.245
  130   HD11  LEU  75          HD11      LEU  75   4.009   0.962   2.403
  131   HD12  LEU  75          HD12      LEU  75   3.260  -0.632   2.311
  132   HD13  LEU  75          HD13      LEU  75   2.471   0.665   3.208
  133   HD21  LEU  75          HD21      LEU  75   0.521   0.378   0.069
  134   HD22  LEU  75          HD22      LEU  75   0.469   0.138   1.816
  135   HD23  LEU  75          HD23      LEU  75   1.334  -1.010   0.797
  136    H    LYS  76           HN       LYS  76   0.034   4.769   1.484
  137    HA   LYS  76           HA       LYS  76  -2.053   3.610   2.894
  138    HB2  LYS  76           HB2      LYS  76  -1.199   5.848   3.377
  139    HB3  LYS  76           HB1      LYS  76  -1.836   6.441   1.852
  140    HG2  LYS  76           HG2      LYS  76  -3.358   7.182   3.453
  141    HG3  LYS  76           HG1      LYS  76  -4.130   5.767   2.740
  142    HD2  LYS  76           HD2      LYS  76  -2.457   5.435   5.191
  143    HD3  LYS  76           HD1      LYS  76  -4.081   6.102   5.343
  144    HE2  LYS  76           HE2      LYS  76  -5.005   4.119   4.262
  145    HE3  LYS  76           HE1      LYS  76  -3.384   3.459   4.067
  146    HZ1  LYS  76           HZ1      LYS  76  -4.705   4.050   6.661
  147    HZ2  LYS  76           HZ2      LYS  76  -3.146   3.398   6.463
  148    HZ3  LYS  76           HZ3      LYS  76  -4.502   2.506   5.984
  149    H    ARG  77           HN       ARG  77  -2.249   5.395  -0.177
  150    HA   ARG  77           HA       ARG  77  -4.988   4.939  -0.645
  151    HB2  ARG  77           HB2      ARG  77  -3.485   6.624  -1.783
  152    HB3  ARG  77           HB1      ARG  77  -2.854   5.302  -2.753
  153    HG2  ARG  77           HG2      ARG  77  -4.550   6.562  -3.957
  154    HG3  ARG  77           HG1      ARG  77  -5.074   4.901  -3.670
  155    HD2  ARG  77           HD2      ARG  77  -6.839   6.626  -3.269
  156    HD3  ARG  77           HD1      ARG  77  -6.506   5.586  -1.885
  157    HE   ARG  77           HE       ARG  77  -4.970   7.596  -1.231
  158   HH11  ARG  77          HH11      ARG  77  -8.074   7.816  -2.818
  159   HH12  ARG  77          HH12      ARG  77  -8.526   9.295  -2.018
  160   HH21  ARG  77          HH21      ARG  77  -5.533   9.532  -0.189
  161   HH22  ARG  77          HH22      ARG  77  -7.073  10.274  -0.509
  162    H    HIS  78           HN       HIS  78  -2.113   3.136  -1.567
  163    HA   HIS  78           HA       HIS  78  -3.426   1.251  -3.228
  164    HB2  HIS  78           HB2      HIS  78  -1.093   1.723  -3.524
  165    HB3  HIS  78           HB1      HIS  78  -0.733   1.275  -1.859
  166    HD1  HIS  78           HD1      HIS  78  -1.619  -0.323  -5.200
  167    HD2  HIS  78           HD2      HIS  78  -0.132  -1.289  -1.451
  168    HE1  HIS  78           HE1      HIS  78  -0.734  -2.691  -5.379
  169    H    LEU  79           HN       LEU  79  -2.778   1.377   0.230
  170    HA   LEU  79           HA       LEU  79  -3.622  -1.311   0.744
  171    HB2  LEU  79           HB2      LEU  79  -3.385   1.112   2.524
  172    HB3  LEU  79           HB1      LEU  79  -3.933  -0.457   3.109
  173    HG   LEU  79           HG       LEU  79  -1.249   0.058   1.846
  174   HD11  LEU  79          HD11      LEU  79  -1.460   1.188   4.007
  175   HD12  LEU  79          HD12      LEU  79  -0.346  -0.175   4.099
  176   HD13  LEU  79          HD13      LEU  79  -1.980  -0.326   4.746
  177   HD21  LEU  79          HD21      LEU  79  -2.087  -2.226   1.556
  178   HD22  LEU  79          HD22      LEU  79  -2.319  -2.353   3.297
  179   HD23  LEU  79          HD23      LEU  79  -0.696  -2.169   2.636
  180    H    ARG  80           HN       ARG  80  -5.213   1.740   0.331
  181    HA   ARG  80           HA       ARG  80  -7.671   1.144   1.552
  182    HB2  ARG  80           HB2      ARG  80  -6.849   3.399   0.731
  183    HB3  ARG  80           HB1      ARG  80  -7.302   2.878  -0.887
  184    HG2  ARG  80           HG2      ARG  80  -9.615   2.606  -0.143
  185    HG3  ARG  80           HG1      ARG  80  -9.154   3.157   1.470
  186    HD2  ARG  80           HD2      ARG  80  -8.286   5.257   0.327
  187    HD3  ARG  80           HD1      ARG  80  -9.156   4.706  -1.105
  188    HE   ARG  80           HE       ARG  80 -10.691   4.900   1.363
  189   HH11  ARG  80          HH11      ARG  80  -9.907   6.251  -1.771
  190   HH12  ARG  80          HH12      ARG  80 -11.151   7.468  -1.696
  191   HH21  ARG  80          HH21      ARG  80 -12.327   6.450   1.455
  192   HH22  ARG  80          HH22      ARG  80 -12.562   7.555   0.131
  193    H    ILE  81           HN       ILE  81  -6.494   0.651  -1.756
  194    HA   ILE  81           HA       ILE  81  -8.915  -0.638  -2.588
  195    HB   ILE  81           HB       ILE  81  -7.492   0.510  -4.226
  196   HG12  ILE  81          HG12      ILE  81  -7.728  -2.463  -4.759
  197   HG13  ILE  81          HG11      ILE  81  -9.021  -1.284  -4.953
  198   HG21  ILE  81          HG21      ILE  81  -5.523  -1.712  -3.722
  199   HG22  ILE  81          HG22      ILE  81  -5.312  -0.012  -3.307
  200   HG23  ILE  81          HG23      ILE  81  -5.403  -0.502  -4.999
  201   HD11  ILE  81          HD11      ILE  81  -6.443  -1.330  -6.497
  202   HD12  ILE  81          HD12      ILE  81  -7.750  -0.163  -6.698
  203   HD13  ILE  81          HD13      ILE  81  -8.017  -1.863  -7.085
  204    H    HIS  82           HN       HIS  82  -5.950  -1.679  -1.066
  205    HA   HIS  82           HA       HIS  82  -6.238  -4.458  -1.546
  206    HB2  HIS  82           HB2      HIS  82  -4.766  -2.855   0.524
  207    HB3  HIS  82           HB1      HIS  82  -4.918  -4.603   0.720
  208    HD1  HIS  82           HD1      HIS  82  -4.473  -5.418  -2.281
  209    HD2  HIS  82           HD2      HIS  82  -2.130  -2.712  -0.152
  210    HE1  HIS  82           HE1      HIS  82  -2.204  -5.334  -3.442
  211    H    SER  83           HN       SER  83  -7.548  -2.289   0.899
  212    HA   SER  83           HA       SER  83  -8.871  -4.459   2.287
  213    HB2  SER  83           HB2      SER  83  -9.169  -1.473   2.687
  214    HB3  SER  83           HB1      SER  83  -9.713  -2.739   3.787
  215    HG   SER  83           HG       SER  83  -7.051  -2.903   3.108
  216    H    GLY  84           HN       GLY  84  -9.593  -2.126  -0.165
  217    HA2  GLY  84           HA2      GLY  84 -11.332  -2.087  -1.671
  218    HA3  GLY  84           HA1      GLY  84 -11.974  -3.529  -0.898
  219    H    GLU  85           HN       GLU  85 -11.305  -0.566   0.847
  220    HA   GLU  85           HA       GLU  85 -14.198  -0.219   1.212
  221    HB2  GLU  85           HB2      GLU  85 -12.001   0.039   3.271
  222    HB3  GLU  85           HB1      GLU  85 -13.664   0.543   3.533
  223    HG2  GLU  85           HG2      GLU  85 -14.409  -1.765   3.170
  224    HG3  GLU  85           HG1      GLU  85 -12.730  -2.258   2.956
  225    H    LYS  86           HN       LYS  86 -14.644   1.985   2.210
  226    HA   LYS  86           HA       LYS  86 -13.245   4.017   0.637
  227    HB2  LYS  86           HB2      LYS  86 -15.825   4.194   2.210
  228    HB3  LYS  86           HB1      LYS  86 -15.153   5.473   1.207
  229    HG2  LYS  86           HG2      LYS  86 -15.419   4.081  -0.768
  230    HG3  LYS  86           HG1      LYS  86 -16.052   2.772   0.229
  231    HD2  LYS  86           HD2      LYS  86 -17.334   5.492   0.166
  232    HD3  LYS  86           HD1      LYS  86 -17.740   4.245  -1.011
  233    HE2  LYS  86           HE2      LYS  86 -19.374   4.086   0.682
  234    HE3  LYS  86           HE1      LYS  86 -18.271   2.742   0.955
  235    HZ1  LYS  86           HZ1      LYS  86 -17.265   3.898   2.762
  236    HZ2  LYS  86           HZ2      LYS  86 -18.942   3.960   2.996
  237    HZ3  LYS  86           HZ3      LYS  86 -18.118   5.323   2.417
  Start of MODEL   14
    1    H1   GLY  58           HT1      GLY  58   9.198   6.731   4.494
    2    H2   GLY  58           HT2      GLY  58   9.288   7.043   2.834
    3    H3   GLY  58           HT3      GLY  58  10.403   7.754   3.886
    4    HA2  GLY  58           HA1      GLY  58  11.517   5.988   2.808
    5    HA3  GLY  58           HA2      GLY  58  11.206   5.487   4.471
    6    HA   PRO  59           HA       PRO  59   9.690   2.628   0.936
    7    HB2  PRO  59           HB2      PRO  59  11.414   0.699   2.396
    8    HB3  PRO  59           HB1      PRO  59  11.223   0.944   0.656
    9    HG2  PRO  59           HG2      PRO  59  13.407   1.791   1.897
   10    HG3  PRO  59           HG1      PRO  59  12.653   2.773   0.628
   11    HD2  PRO  59           HD2      PRO  59  12.529   3.097   3.599
   12    HD3  PRO  59           HD1      PRO  59  12.681   4.338   2.336
   13    H    LEU  60           HN       LEU  60   7.703   2.222   1.499
   14    HA   LEU  60           HA       LEU  60   7.183   0.609   3.892
   15    HB2  LEU  60           HB2      LEU  60   5.258   2.257   2.262
   16    HB3  LEU  60           HB1      LEU  60   4.847   1.340   3.701
   17    HG   LEU  60           HG       LEU  60   6.652   3.752   3.577
   18   HD11  LEU  60          HD11      LEU  60   4.916   4.834   4.889
   19   HD12  LEU  60          HD12      LEU  60   3.944   3.364   4.838
   20   HD13  LEU  60          HD13      LEU  60   4.269   4.257   3.355
   21   HD21  LEU  60          HD21      LEU  60   5.842   2.049   5.929
   22   HD22  LEU  60          HD22      LEU  60   6.713   3.581   6.028
   23   HD23  LEU  60          HD23      LEU  60   7.465   2.189   5.245
   24    H    LYS  61           HN       LYS  61   6.824  -1.483   3.584
   25    HA   LYS  61           HA       LYS  61   6.542  -2.407   0.869
   26    HB2  LYS  61           HB2      LYS  61   7.141  -3.718   3.478
   27    HB3  LYS  61           HB1      LYS  61   6.512  -4.707   2.169
   28    HG2  LYS  61           HG2      LYS  61   8.911  -4.819   2.167
   29    HG3  LYS  61           HG1      LYS  61   8.374  -3.934   0.737
   30    HD2  LYS  61           HD2      LYS  61  10.294  -2.846   1.765
   31    HD3  LYS  61           HD1      LYS  61   8.860  -1.821   1.865
   32    HE2  LYS  61           HE2      LYS  61   8.500  -2.530   4.172
   33    HE3  LYS  61           HE1      LYS  61   9.888  -3.606   4.077
   34    HZ1  LYS  61           HZ1      LYS  61  10.048  -0.656   3.775
   35    HZ2  LYS  61           HZ2      LYS  61  11.347  -1.745   3.893
   36    HZ3  LYS  61           HZ3      LYS  61  10.328  -1.487   5.223
   37    H    CYS  62           HN       CYS  62   4.825  -3.141  -0.080
   38    HA   CYS  62           HA       CYS  62   2.288  -3.253   1.253
   39    HB2  CYS  62           HB2      CYS  62   2.372  -2.575  -1.100
   40    HB3  CYS  62           HB1      CYS  62   3.152  -4.096  -1.543
   41    H    ARG  63           HN       ARG  63   2.332  -4.862   2.799
   42    HA   ARG  63           HA       ARG  63   3.707  -7.273   2.642
   43    HB2  ARG  63           HB2      ARG  63   2.749  -6.289   4.708
   44    HB3  ARG  63           HB1      ARG  63   1.142  -6.733   4.153
   45    HG2  ARG  63           HG2      ARG  63   3.004  -8.971   4.192
   46    HG3  ARG  63           HG1      ARG  63   2.759  -8.230   5.776
   47    HD2  ARG  63           HD2      ARG  63   0.574  -9.177   3.928
   48    HD3  ARG  63           HD1      ARG  63   1.178 -10.059   5.330
   49    HE   ARG  63           HE       ARG  63   0.249  -7.392   5.924
   50   HH11  ARG  63          HH11      ARG  63  -0.642 -10.772   5.604
   51   HH12  ARG  63          HH12      ARG  63  -2.043 -10.626   6.623
   52   HH21  ARG  63          HH21      ARG  63  -1.610  -7.206   7.251
   53   HH22  ARG  63          HH22      ARG  63  -2.601  -8.606   7.541
   54    H    GLU  64           HN       GLU  64   0.752  -6.341   1.164
   55    HA   GLU  64           HA       GLU  64  -0.292  -8.935   0.634
   56    HB2  GLU  64           HB2      GLU  64  -0.776  -6.317  -0.793
   57    HB3  GLU  64           HB1      GLU  64  -1.756  -7.773  -0.959
   58    HG2  GLU  64           HG2      GLU  64  -1.377  -6.249   1.608
   59    HG3  GLU  64           HG1      GLU  64  -2.747  -6.050   0.516
   60    H    CYS  65           HN       CYS  65   1.910  -6.765  -1.052
   61    HA   CYS  65           HA       CYS  65   1.958  -8.597  -3.361
   62    HB2  CYS  65           HB2      CYS  65   2.640  -5.685  -3.079
   63    HB3  CYS  65           HB1      CYS  65   3.021  -6.615  -4.533
   64    H    GLY  66           HN       GLY  66   4.056  -6.804  -1.138
   65    HA2  GLY  66           HA2      GLY  66   6.145  -7.801  -0.407
   66    HA3  GLY  66           HA1      GLY  66   6.300  -8.527  -2.006
   67    H    LYS  67           HN       LYS  67   5.142  -5.649  -2.704
   68    HA   LYS  67           HA       LYS  67   7.702  -4.523  -3.366
   69    HB2  LYS  67           HB2      LYS  67   6.317  -2.828  -4.579
   70    HB3  LYS  67           HB1      LYS  67   6.064  -4.493  -5.108
   71    HG2  LYS  67           HG2      LYS  67   4.083  -4.447  -3.430
   72    HG3  LYS  67           HG1      LYS  67   4.246  -2.695  -3.565
   73    HD2  LYS  67           HD2      LYS  67   4.169  -4.338  -6.041
   74    HD3  LYS  67           HD1      LYS  67   2.662  -4.042  -5.173
   75    HE2  LYS  67           HE2      LYS  67   2.778  -2.333  -6.766
   76    HE3  LYS  67           HE1      LYS  67   3.291  -1.576  -5.262
   77    HZ1  LYS  67           HZ1      LYS  67   5.573  -1.720  -5.966
   78    HZ2  LYS  67           HZ2      LYS  67   4.666  -0.978  -7.193
   79    HZ3  LYS  67           HZ3      LYS  67   5.141  -2.595  -7.356
   80    H    GLN  68           HN       GLN  68   7.379  -1.922  -3.226
   81    HA   GLN  68           HA       GLN  68   6.789  -1.191  -0.476
   82    HB2  GLN  68           HB2      GLN  68   9.070  -0.316  -0.128
   83    HB3  GLN  68           HB1      GLN  68   9.059  -2.066  -0.374
   84    HG2  GLN  68           HG2      GLN  68   9.701  -1.714  -2.722
   85    HG3  GLN  68           HG1      GLN  68   9.775   0.023  -2.419
   86   HE21  GLN  68          HE21      GLN  68  11.434   0.864  -1.202
   87   HE22  GLN  68          HE22      GLN  68  12.877  -0.056  -0.835
   88    H    PHE  69           HN       PHE  69   6.728   1.067  -0.091
   89    HA   PHE  69           HA       PHE  69   7.065   2.803  -2.452
   90    HB2  PHE  69           HB2      PHE  69   4.649   2.667  -0.638
   91    HB3  PHE  69           HB1      PHE  69   5.005   4.076  -1.638
   92    HD1  PHE  69           HD1      PHE  69   4.298   0.443  -1.771
   93    HD2  PHE  69           HD2      PHE  69   4.368   4.130  -3.890
   94    HE1  PHE  69           HE1      PHE  69   3.137  -0.622  -3.657
   95    HE2  PHE  69           HE2      PHE  69   3.210   3.070  -5.780
   96    HZ   PHE  69           HZ       PHE  69   2.573   0.725  -5.672
   97    H    THR  70           HN       THR  70   8.388   4.441  -1.978
   98    HA   THR  70           HA       THR  70   9.304   4.830   0.695
   99    HB   THR  70           HB       THR  70  10.714   5.127  -1.361
  100    HG1  THR  70           HG1      THR  70  11.956   6.241  -0.073
  101   HG21  THR  70          HG21      THR  70   9.138   6.409  -2.721
  102   HG22  THR  70          HG22      THR  70  10.652   7.292  -2.512
  103   HG23  THR  70          HG23      THR  70   9.229   7.749  -1.574
  104    H    THR  71           HN       THR  71   6.624   5.979  -0.946
  105    HA   THR  71           HA       THR  71   6.376   8.327   0.812
  106    HB   THR  71           HB       THR  71   4.789   7.745  -1.699
  107    HG1  THR  71           HG1      THR  71   7.232   9.136  -1.298
  108   HG21  THR  71          HG21      THR  71   5.163  10.260  -0.069
  109   HG22  THR  71          HG22      THR  71   3.691   9.294  -0.182
  110   HG23  THR  71          HG23      THR  71   4.288  10.158  -1.599
  111    H    SER  72           HN       SER  72   4.816   8.369   2.298
  112    HA   SER  72           HA       SER  72   3.605   5.949   3.084
  113    HB2  SER  72           HB2      SER  72   3.101   8.770   4.043
  114    HB3  SER  72           HB1      SER  72   2.588   7.302   4.874
  115    HG   SER  72           HG       SER  72   4.475   7.702   5.818
  116    H    GLY  73           HN       GLY  73   2.269   8.872   1.584
  117    HA2  GLY  73           HA2      GLY  73  -0.446   8.115   1.737
  118    HA3  GLY  73           HA1      GLY  73   0.229   9.273   0.601
  119    H    ASN  74           HN       ASN  74   2.022   7.439  -0.676
  120    HA   ASN  74           HA       ASN  74   0.317   6.351  -2.631
  121    HB2  ASN  74           HB2      ASN  74   3.219   5.763  -2.035
  122    HB3  ASN  74           HB1      ASN  74   2.362   5.152  -3.444
  123   HD21  ASN  74          HD21      ASN  74   0.809   7.642  -3.730
  124   HD22  ASN  74          HD22      ASN  74   1.922   8.802  -4.393
  125    H    LEU  75           HN       LEU  75   2.180   4.794  -0.031
  126    HA   LEU  75           HA       LEU  75   1.281   2.168  -0.630
  127    HB2  LEU  75           HB2      LEU  75   3.330   2.982   0.754
  128    HB3  LEU  75           HB1      LEU  75   2.183   3.055   2.084
  129    HG   LEU  75           HG       LEU  75   3.703   0.944   1.707
  130   HD11  LEU  75          HD11      LEU  75   0.794   0.803   2.463
  131   HD12  LEU  75          HD12      LEU  75   2.135   1.226   3.529
  132   HD13  LEU  75          HD13      LEU  75   2.019  -0.403   2.860
  133   HD21  LEU  75          HD21      LEU  75   2.989   0.486  -0.557
  134   HD22  LEU  75          HD22      LEU  75   1.314   0.357  -0.025
  135   HD23  LEU  75          HD23      LEU  75   2.504  -0.826   0.516
  136    H    LYS  76           HN       LYS  76   0.087   4.736   1.465
  137    HA   LYS  76           HA       LYS  76  -1.824   3.191   2.853
  138    HB2  LYS  76           HB2      LYS  76  -1.124   5.403   3.622
  139    HB3  LYS  76           HB1      LYS  76  -1.840   6.143   2.202
  140    HG2  LYS  76           HG2      LYS  76  -3.301   6.510   4.041
  141    HG3  LYS  76           HG1      LYS  76  -4.063   5.328   2.980
  142    HD2  LYS  76           HD2      LYS  76  -2.402   4.362   5.269
  143    HD3  LYS  76           HD1      LYS  76  -4.018   4.990   5.591
  144    HE2  LYS  76           HE2      LYS  76  -4.929   3.380   3.951
  145    HE3  LYS  76           HE1      LYS  76  -3.310   2.716   3.737
  146    HZ1  LYS  76           HZ1      LYS  76  -4.575   1.384   5.280
  147    HZ2  LYS  76           HZ2      LYS  76  -4.882   2.730   6.261
  148    HZ3  LYS  76           HZ3      LYS  76  -3.302   2.139   6.104
  149    H    ARG  77           HN       ARG  77  -2.172   5.304  -0.005
  150    HA   ARG  77           HA       ARG  77  -4.856   4.577  -0.533
  151    HB2  ARG  77           HB2      ARG  77  -3.581   6.566  -1.473
  152    HB3  ARG  77           HB1      ARG  77  -2.809   5.451  -2.584
  153    HG2  ARG  77           HG2      ARG  77  -5.793   5.684  -2.443
  154    HG3  ARG  77           HG1      ARG  77  -4.828   6.798  -3.406
  155    HD2  ARG  77           HD2      ARG  77  -3.872   4.863  -4.613
  156    HD3  ARG  77           HD1      ARG  77  -4.932   3.797  -3.693
  157    HE   ARG  77           HE       ARG  77  -6.651   5.568  -4.810
  158   HH11  ARG  77          HH11      ARG  77  -4.143   3.491  -6.078
  159   HH12  ARG  77          HH12      ARG  77  -4.860   3.354  -7.655
  160   HH21  ARG  77          HH21      ARG  77  -7.606   5.402  -6.888
  161   HH22  ARG  77          HH22      ARG  77  -6.831   4.440  -8.115
  162    H    HIS  78           HN       HIS  78  -1.771   3.210  -1.423
  163    HA   HIS  78           HA       HIS  78  -2.573   1.307  -3.306
  164    HB2  HIS  78           HB2      HIS  78  -0.237   1.970  -2.797
  165    HB3  HIS  78           HB1      HIS  78  -0.356   1.136  -1.250
  166    HD1  HIS  78           HD1      HIS  78  -0.106   0.479  -4.947
  167    HD2  HIS  78           HD2      HIS  78   0.073  -1.545  -1.316
  168    HE1  HIS  78           HE1      HIS  78   0.771  -1.828  -5.470
  169    H    LEU  79           HN       LEU  79  -2.158   0.959   0.224
  170    HA   LEU  79           HA       LEU  79  -3.184  -1.714   0.213
  171    HB2  LEU  79           HB2      LEU  79  -2.588   0.196   2.466
  172    HB3  LEU  79           HB1      LEU  79  -3.144  -1.457   2.708
  173    HG   LEU  79           HG       LEU  79  -0.527  -0.551   1.512
  174   HD11  LEU  79          HD11      LEU  79   0.397  -1.908   3.347
  175   HD12  LEU  79          HD12      LEU  79  -1.244  -2.227   3.915
  176   HD13  LEU  79          HD13      LEU  79  -0.609  -0.582   3.933
  177   HD21  LEU  79          HD21      LEU  79  -0.029  -2.958   1.223
  178   HD22  LEU  79          HD22      LEU  79  -1.309  -2.380   0.156
  179   HD23  LEU  79          HD23      LEU  79  -1.716  -3.322   1.593
  180    H    ARG  80           HN       ARG  80  -4.593   1.423   0.452
  181    HA   ARG  80           HA       ARG  80  -7.072   0.854   1.597
  182    HB2  ARG  80           HB2      ARG  80  -6.454   3.111   0.983
  183    HB3  ARG  80           HB1      ARG  80  -6.363   2.669  -0.715
  184    HG2  ARG  80           HG2      ARG  80  -8.766   2.244  -0.735
  185    HG3  ARG  80           HG1      ARG  80  -8.856   2.694   0.969
  186    HD2  ARG  80           HD2      ARG  80  -7.938   4.488  -1.270
  187    HD3  ARG  80           HD1      ARG  80  -9.533   4.525  -0.522
  188    HE   ARG  80           HE       ARG  80  -7.835   4.848   1.575
  189   HH11  ARG  80          HH11      ARG  80  -8.231   6.457  -1.501
  190   HH12  ARG  80          HH12      ARG  80  -7.741   8.016  -0.902
  191   HH21  ARG  80          HH21      ARG  80  -7.152   6.885   2.380
  192   HH22  ARG  80          HH22      ARG  80  -7.137   8.264   1.310
  193    H    ILE  81           HN       ILE  81  -6.131   0.690  -1.828
  194    HA   ILE  81           HA       ILE  81  -8.468  -0.486  -2.803
  195    HB   ILE  81           HB       ILE  81  -5.658  -0.920  -3.841
  196   HG12  ILE  81          HG12      ILE  81  -6.105   1.461  -3.650
  197   HG13  ILE  81          HG11      ILE  81  -6.149   0.992  -5.346
  198   HG21  ILE  81          HG21      ILE  81  -6.745  -1.291  -6.002
  199   HG22  ILE  81          HG22      ILE  81  -8.322  -1.109  -5.237
  200   HG23  ILE  81          HG23      ILE  81  -7.283  -2.463  -4.797
  201   HD11  ILE  81          HD11      ILE  81  -7.925   2.545  -4.852
  202   HD12  ILE  81          HD12      ILE  81  -8.527   1.493  -3.572
  203   HD13  ILE  81          HD13      ILE  81  -8.602   0.966  -5.252
  204    H    HIS  82           HN       HIS  82  -5.544  -1.907  -1.461
  205    HA   HIS  82           HA       HIS  82  -6.167  -4.615  -1.899
  206    HB2  HIS  82           HB2      HIS  82  -4.309  -3.157  -0.062
  207    HB3  HIS  82           HB1      HIS  82  -4.577  -4.882   0.184
  208    HD1  HIS  82           HD1      HIS  82  -4.040  -6.405  -2.034
  209    HD2  HIS  82           HD2      HIS  82  -2.418  -2.574  -1.880
  210    HE1  HIS  82           HE1      HIS  82  -2.081  -6.359  -3.671
  211    H    SER  83           HN       SER  83  -7.268  -2.376   0.523
  212    HA   SER  83           HA       SER  83  -8.134  -4.490   2.314
  213    HB2  SER  83           HB2      SER  83  -8.487  -1.490   2.497
  214    HB3  SER  83           HB1      SER  83  -8.863  -2.649   3.773
  215    HG   SER  83           HG       SER  83  -6.324  -2.013   2.666
  216    H    GLY  84           HN       GLY  84  -9.347  -3.328  -0.483
  217    HA2  GLY  84           HA2      GLY  84 -11.397  -4.009  -1.398
  218    HA3  GLY  84           HA1      GLY  84 -12.000  -4.303   0.226
  219    H    GLU  85           HN       GLU  85 -10.480  -1.292  -0.121
  220    HA   GLU  85           HA       GLU  85 -13.072   0.002  -0.548
  221    HB2  GLU  85           HB2      GLU  85 -11.984   1.940   0.761
  222    HB3  GLU  85           HB1      GLU  85 -12.572   0.552   1.665
  223    HG2  GLU  85           HG2      GLU  85 -10.298  -0.308   1.807
  224    HG3  GLU  85           HG1      GLU  85  -9.718   1.073   0.877
  225    H    LYS  86           HN       LYS  86 -13.128   1.752  -1.919
  226    HA   LYS  86           HA       LYS  86 -10.937   1.680  -3.851
  227    HB2  LYS  86           HB2      LYS  86 -13.358   1.101  -4.411
  228    HB3  LYS  86           HB1      LYS  86 -13.694   2.818  -4.248
  229    HG2  LYS  86           HG2      LYS  86 -12.245   3.344  -6.069
  230    HG3  LYS  86           HG1      LYS  86 -11.661   1.678  -6.146
  231    HD2  LYS  86           HD2      LYS  86 -14.501   2.556  -6.625
  232    HD3  LYS  86           HD1      LYS  86 -13.331   2.167  -7.888
  233    HE2  LYS  86           HE2      LYS  86 -14.444   0.303  -5.793
  234    HE3  LYS  86           HE1      LYS  86 -14.776   0.269  -7.524
  235    HZ1  LYS  86           HZ1      LYS  86 -12.286  -0.085  -7.777
  236    HZ2  LYS  86           HZ2      LYS  86 -13.195  -1.386  -7.184
  237    HZ3  LYS  86           HZ3      LYS  86 -12.274  -0.445  -6.118
  Start of MODEL   15
    1    H1   GLY  58           HT1      GLY  58  10.010   5.723   5.906
    2    H2   GLY  58           HT2      GLY  58   8.569   6.546   5.586
    3    H3   GLY  58           HT3      GLY  58  10.028   7.402   5.701
    4    HA2  GLY  58           HA1      GLY  58   9.271   7.092   3.383
    5    HA3  GLY  58           HA2      GLY  58  10.871   6.423   3.715
    6    HA   PRO  59           HA       PRO  59   9.751   2.684   1.673
    7    HB2  PRO  59           HB2      PRO  59  11.229   1.527   4.007
    8    HB3  PRO  59           HB1      PRO  59  11.360   1.135   2.289
    9    HG2  PRO  59           HG2      PRO  59  13.167   2.690   3.459
   10    HG3  PRO  59           HG1      PRO  59  12.602   3.028   1.812
   11    HD2  PRO  59           HD2      PRO  59  11.999   4.450   4.350
   12    HD3  PRO  59           HD1      PRO  59  12.045   5.066   2.685
   13    H    LEU  60           HN       LEU  60   7.723   2.082   1.795
   14    HA   LEU  60           HA       LEU  60   6.826   0.728   4.224
   15    HB2  LEU  60           HB2      LEU  60   5.192   2.435   2.367
   16    HB3  LEU  60           HB1      LEU  60   4.497   1.392   3.597
   17    HG   LEU  60           HG       LEU  60   6.335   3.727   4.135
   18   HD11  LEU  60          HD11      LEU  60   3.374   3.425   4.606
   19   HD12  LEU  60          HD12      LEU  60   4.103   4.368   3.307
   20   HD13  LEU  60          HD13      LEU  60   4.362   4.836   4.988
   21   HD21  LEU  60          HD21      LEU  60   6.543   1.937   5.794
   22   HD22  LEU  60          HD22      LEU  60   4.793   1.941   6.019
   23   HD23  LEU  60          HD23      LEU  60   5.744   3.354   6.478
   24    H    LYS  61           HN       LYS  61   6.256  -1.301   4.021
   25    HA   LYS  61           HA       LYS  61   6.563  -2.511   1.412
   26    HB2  LYS  61           HB2      LYS  61   7.607  -3.544   3.355
   27    HB3  LYS  61           HB1      LYS  61   6.046  -3.681   4.152
   28    HG2  LYS  61           HG2      LYS  61   6.143  -5.783   3.371
   29    HG3  LYS  61           HG1      LYS  61   5.531  -5.044   1.890
   30    HD2  LYS  61           HD2      LYS  61   7.381  -6.457   1.318
   31    HD3  LYS  61           HD1      LYS  61   7.892  -4.778   1.133
   32    HE2  LYS  61           HE2      LYS  61   9.071  -4.836   3.212
   33    HE3  LYS  61           HE1      LYS  61   8.407  -6.421   3.605
   34    HZ1  LYS  61           HZ1      LYS  61   9.600  -7.309   1.668
   35    HZ2  LYS  61           HZ2      LYS  61  10.639  -6.669   2.842
   36    HZ3  LYS  61           HZ3      LYS  61  10.320  -5.792   1.424
   37    H    CYS  62           HN       CYS  62   4.967  -3.359   0.150
   38    HA   CYS  62           HA       CYS  62   2.272  -3.523   1.274
   39    HB2  CYS  62           HB2      CYS  62   2.413  -2.607  -1.019
   40    HB3  CYS  62           HB1      CYS  62   3.243  -4.067  -1.563
   41    H    ARG  63           HN       ARG  63   2.396  -5.260   2.638
   42    HA   ARG  63           HA       ARG  63   3.907  -7.548   2.372
   43    HB2  ARG  63           HB2      ARG  63   2.743  -6.960   4.423
   44    HB3  ARG  63           HB1      ARG  63   1.189  -7.237   3.649
   45    HG2  ARG  63           HG2      ARG  63   1.990  -9.631   3.287
   46    HG3  ARG  63           HG1      ARG  63   3.261  -9.248   4.450
   47    HD2  ARG  63           HD2      ARG  63   1.335 -10.306   5.528
   48    HD3  ARG  63           HD1      ARG  63   1.588  -8.658   6.110
   49    HE   ARG  63           HE       ARG  63  -0.336  -9.071   3.938
   50   HH11  ARG  63          HH11      ARG  63   0.231  -8.506   7.342
   51   HH12  ARG  63          HH12      ARG  63  -1.344  -7.821   7.627
   52   HH21  ARG  63          HH21      ARG  63  -2.410  -8.208   4.302
   53   HH22  ARG  63          HH22      ARG  63  -2.849  -7.637   5.883
   54    H    GLU  64           HN       GLU  64   0.778  -6.828   0.953
   55    HA   GLU  64           HA       GLU  64   0.168  -9.505   0.202
   56    HB2  GLU  64           HB2      GLU  64  -0.952  -6.951  -0.957
   57    HB3  GLU  64           HB1      GLU  64  -1.688  -8.553  -1.009
   58    HG2  GLU  64           HG2      GLU  64  -1.212  -6.895   1.464
   59    HG3  GLU  64           HG1      GLU  64  -2.757  -7.137   0.655
   60    H    CYS  65           HN       CYS  65   1.776  -6.814  -1.403
   61    HA   CYS  65           HA       CYS  65   1.957  -8.336  -3.897
   62    HB2  CYS  65           HB2      CYS  65   2.676  -5.525  -3.119
   63    HB3  CYS  65           HB1      CYS  65   3.180  -6.217  -4.672
   64    H    GLY  66           HN       GLY  66   4.012  -6.945  -1.395
   65    HA2  GLY  66           HA2      GLY  66   5.986  -8.078  -0.640
   66    HA3  GLY  66           HA1      GLY  66   6.186  -8.750  -2.262
   67    H    LYS  67           HN       LYS  67   5.215  -5.596  -2.431
   68    HA   LYS  67           HA       LYS  67   7.902  -4.720  -3.093
   69    HB2  LYS  67           HB2      LYS  67   6.624  -2.852  -4.292
   70    HB3  LYS  67           HB1      LYS  67   6.573  -4.469  -4.990
   71    HG2  LYS  67           HG2      LYS  67   4.367  -4.740  -3.723
   72    HG3  LYS  67           HG1      LYS  67   4.422  -2.986  -3.524
   73    HD2  LYS  67           HD2      LYS  67   4.774  -4.271  -6.202
   74    HD3  LYS  67           HD1      LYS  67   3.166  -3.946  -5.551
   75    HE2  LYS  67           HE2      LYS  67   3.621  -1.604  -5.420
   76    HE3  LYS  67           HE1      LYS  67   5.319  -1.864  -5.835
   77    HZ1  LYS  67           HZ1      LYS  67   3.884  -1.062  -7.692
   78    HZ2  LYS  67           HZ2      LYS  67   3.082  -2.554  -7.660
   79    HZ3  LYS  67           HZ3      LYS  67   4.736  -2.491  -8.025
   80    H    GLN  68           HN       GLN  68   7.634  -2.064  -2.968
   81    HA   GLN  68           HA       GLN  68   7.026  -1.341  -0.233
   82    HB2  GLN  68           HB2      GLN  68   9.153  -2.571  -0.034
   83    HB3  GLN  68           HB1      GLN  68   9.886  -1.495  -1.221
   84    HG2  GLN  68           HG2      GLN  68   9.699   0.368   0.280
   85    HG3  GLN  68           HG1      GLN  68   8.798  -0.608   1.440
   86   HE21  GLN  68          HE21      GLN  68   9.869  -2.116   2.688
   87   HE22  GLN  68          HE22      GLN  68  11.606  -2.154   2.822
   88    H    PHE  69           HN       PHE  69   6.982   0.905   0.089
   89    HA   PHE  69           HA       PHE  69   7.400   2.472  -2.399
   90    HB2  PHE  69           HB2      PHE  69   5.100   2.605  -0.443
   91    HB3  PHE  69           HB1      PHE  69   5.399   3.822  -1.688
   92    HD1  PHE  69           HD1      PHE  69   4.492   0.303  -1.087
   93    HD2  PHE  69           HD2      PHE  69   4.835   3.432  -3.947
   94    HE1  PHE  69           HE1      PHE  69   3.229  -1.043  -2.709
   95    HE2  PHE  69           HE2      PHE  69   3.568   2.091  -5.571
   96    HZ   PHE  69           HZ       PHE  69   2.762  -0.151  -4.952
   97    H    THR  70           HN       THR  70   7.938   4.665  -2.144
   98    HA   THR  70           HA       THR  70   9.488   5.154   0.257
   99    HB   THR  70           HB       THR  70  10.364   7.093  -1.066
  100    HG1  THR  70           HG1      THR  70   9.511   7.553  -2.981
  101   HG21  THR  70          HG21      THR  70  11.523   4.959  -1.107
  102   HG22  THR  70          HG22      THR  70  11.566   5.691  -2.711
  103   HG23  THR  70          HG23      THR  70  10.441   4.376  -2.371
  104    H    THR  71           HN       THR  71   6.581   6.237  -1.256
  105    HA   THR  71           HA       THR  71   6.359   8.446   0.663
  106    HB   THR  71           HB       THR  71   6.096   9.419  -1.428
  107    HG1  THR  71           HG1      THR  71   3.610   9.542  -1.634
  108   HG21  THR  71          HG21      THR  71   4.729   8.467  -3.249
  109   HG22  THR  71          HG22      THR  71   4.414   7.052  -2.245
  110   HG23  THR  71          HG23      THR  71   6.057   7.406  -2.778
  111    H    SER  72           HN       SER  72   4.801   8.489   2.129
  112    HA   SER  72           HA       SER  72   3.606   6.060   2.897
  113    HB2  SER  72           HB2      SER  72   3.099   8.878   3.863
  114    HB3  SER  72           HB1      SER  72   2.527   7.417   4.669
  115    HG   SER  72           HG       SER  72   4.377   7.503   5.648
  116    H    GLY  73           HN       GLY  73   2.264   8.977   1.393
  117    HA2  GLY  73           HA2      GLY  73  -0.443   8.223   1.608
  118    HA3  GLY  73           HA1      GLY  73   0.209   9.381   0.456
  119    H    ASN  74           HN       ASN  74   2.010   7.455  -0.774
  120    HA   ASN  74           HA       ASN  74   0.200   6.443  -2.711
  121    HB2  ASN  74           HB2      ASN  74   2.598   7.155  -3.149
  122    HB3  ASN  74           HB1      ASN  74   3.105   5.633  -2.418
  123   HD21  ASN  74          HD21      ASN  74   4.059   5.115  -4.440
  124   HD22  ASN  74          HD22      ASN  74   3.093   4.515  -5.747
  125    H    LEU  75           HN       LEU  75   2.022   4.963  -0.054
  126    HA   LEU  75           HA       LEU  75   1.198   2.296  -0.744
  127    HB2  LEU  75           HB2      LEU  75   3.307   2.959   0.521
  128    HB3  LEU  75           HB1      LEU  75   2.259   3.228   1.901
  129    HG   LEU  75           HG       LEU  75   3.582   0.974   1.599
  130   HD11  LEU  75          HD11      LEU  75   0.741   1.159   2.584
  131   HD12  LEU  75          HD12      LEU  75   2.194   1.563   3.499
  132   HD13  LEU  75          HD13      LEU  75   1.900  -0.104   3.004
  133   HD21  LEU  75          HD21      LEU  75   0.997   0.427   0.153
  134   HD22  LEU  75          HD22      LEU  75   2.178  -0.780   0.661
  135   HD23  LEU  75          HD23      LEU  75   2.606   0.412  -0.567
  136    H    LYS  76           HN       LYS  76   0.068   4.801   1.477
  137    HA   LYS  76           HA       LYS  76  -1.818   3.194   2.839
  138    HB2  LYS  76           HB2      LYS  76  -1.722   6.170   2.351
  139    HB3  LYS  76           HB1      LYS  76  -2.953   5.399   3.337
  140    HG2  LYS  76           HG2      LYS  76   0.010   5.300   3.873
  141    HG3  LYS  76           HG1      LYS  76  -1.134   6.378   4.672
  142    HD2  LYS  76           HD2      LYS  76  -1.106   4.715   6.222
  143    HD3  LYS  76           HD1      LYS  76  -2.350   4.052   5.163
  144    HE2  LYS  76           HE2      LYS  76  -0.540   2.774   3.990
  145    HE3  LYS  76           HE1      LYS  76   0.575   3.325   5.240
  146    HZ1  LYS  76           HZ1      LYS  76  -0.878   2.256   6.896
  147    HZ2  LYS  76           HZ2      LYS  76  -0.235   1.154   5.789
  148    HZ3  LYS  76           HZ3      LYS  76  -1.851   1.652   5.642
  149    H    ARG  77           HN       ARG  77  -2.154   5.329   0.009
  150    HA   ARG  77           HA       ARG  77  -4.827   4.726  -0.611
  151    HB2  ARG  77           HB2      ARG  77  -3.550   6.541  -1.629
  152    HB3  ARG  77           HB1      ARG  77  -2.463   5.383  -2.377
  153    HG2  ARG  77           HG2      ARG  77  -4.499   4.501  -3.610
  154    HG3  ARG  77           HG1      ARG  77  -5.321   5.971  -3.062
  155    HD2  ARG  77           HD2      ARG  77  -2.818   5.775  -4.718
  156    HD3  ARG  77           HD1      ARG  77  -4.391   6.384  -5.238
  157    HE   ARG  77           HE       ARG  77  -3.927   8.109  -3.349
  158   HH11  ARG  77          HH11      ARG  77  -1.626   6.818  -5.655
  159   HH12  ARG  77          HH12      ARG  77  -0.512   8.147  -5.483
  160   HH21  ARG  77          HH21      ARG  77  -2.471   9.854  -3.121
  161   HH22  ARG  77          HH22      ARG  77  -1.005   9.884  -4.063
  162    H    HIS  78           HN       HIS  78  -1.792   3.222  -1.461
  163    HA   HIS  78           HA       HIS  78  -2.602   1.284  -3.278
  164    HB2  HIS  78           HB2      HIS  78  -0.270   2.018  -2.743
  165    HB3  HIS  78           HB1      HIS  78  -0.374   1.114  -1.234
  166    HD1  HIS  78           HD1      HIS  78  -0.238   0.580  -4.971
  167    HD2  HIS  78           HD2      HIS  78   0.227  -1.505  -1.406
  168    HE1  HIS  78           HE1      HIS  78   0.743  -1.660  -5.597
  169    H    LEU  79           HN       LEU  79  -2.310   1.082   0.269
  170    HA   LEU  79           HA       LEU  79  -3.209  -1.661   0.239
  171    HB2  LEU  79           HB2      LEU  79  -2.524   0.184   2.518
  172    HB3  LEU  79           HB1      LEU  79  -2.991  -1.499   2.714
  173    HG   LEU  79           HG       LEU  79  -0.501  -0.402   1.418
  174   HD11  LEU  79          HD11      LEU  79   0.610  -1.806   3.076
  175   HD12  LEU  79          HD12      LEU  79  -0.959  -2.327   3.694
  176   HD13  LEU  79          HD13      LEU  79  -0.470  -0.639   3.840
  177   HD21  LEU  79          HD21      LEU  79  -1.530  -3.242   1.340
  178   HD22  LEU  79          HD22      LEU  79   0.091  -2.727   0.870
  179   HD23  LEU  79          HD23      LEU  79  -1.309  -2.159  -0.037
  180    H    ARG  80           HN       ARG  80  -4.669   1.440   0.579
  181    HA   ARG  80           HA       ARG  80  -7.000   0.698   1.964
  182    HB2  ARG  80           HB2      ARG  80  -6.512   3.043   1.527
  183    HB3  ARG  80           HB1      ARG  80  -6.646   2.778  -0.207
  184    HG2  ARG  80           HG2      ARG  80  -9.023   2.177   0.105
  185    HG3  ARG  80           HG1      ARG  80  -8.863   2.560   1.817
  186    HD2  ARG  80           HD2      ARG  80  -8.301   4.517  -0.398
  187    HD3  ARG  80           HD1      ARG  80  -9.860   4.374   0.407
  188    HE   ARG  80           HE       ARG  80  -7.993   4.719   2.418
  189   HH11  ARG  80          HH11      ARG  80  -9.122   6.507  -0.379
  190   HH12  ARG  80          HH12      ARG  80  -8.793   8.064   0.324
  191   HH21  ARG  80          HH21      ARG  80  -7.576   6.776   3.351
  192   HH22  ARG  80          HH22      ARG  80  -7.904   8.211   2.434
  193    H    ILE  81           HN       ILE  81  -6.273   0.706  -1.523
  194    HA   ILE  81           HA       ILE  81  -8.766  -0.452  -2.244
  195    HB   ILE  81           HB       ILE  81  -7.442   0.850  -3.849
  196   HG12  ILE  81          HG12      ILE  81  -7.877  -2.013  -4.720
  197   HG13  ILE  81          HG11      ILE  81  -9.118  -0.763  -4.659
  198   HG21  ILE  81          HG21      ILE  81  -5.206   0.154  -3.239
  199   HG22  ILE  81          HG22      ILE  81  -5.486  -0.150  -4.953
  200   HG23  ILE  81          HG23      ILE  81  -5.537  -1.483  -3.802
  201   HD11  ILE  81          HD11      ILE  81  -8.346  -1.088  -6.922
  202   HD12  ILE  81          HD12      ILE  81  -6.681  -0.780  -6.425
  203   HD13  ILE  81          HD13      ILE  81  -7.879   0.512  -6.347
  204    H    HIS  82           HN       HIS  82  -5.643  -1.755  -1.322
  205    HA   HIS  82           HA       HIS  82  -6.114  -4.463  -1.967
  206    HB2  HIS  82           HB2      HIS  82  -4.301  -3.022  -0.090
  207    HB3  HIS  82           HB1      HIS  82  -4.573  -4.737   0.222
  208    HD1  HIS  82           HD1      HIS  82  -3.879  -6.393  -1.838
  209    HD2  HIS  82           HD2      HIS  82  -2.454  -2.477  -1.972
  210    HE1  HIS  82           HE1      HIS  82  -1.940  -6.362  -3.493
  211    H    SER  83           HN       SER  83  -7.219  -2.422   0.619
  212    HA   SER  83           HA       SER  83  -8.203  -4.631   2.200
  213    HB2  SER  83           HB2      SER  83  -8.553  -1.644   2.562
  214    HB3  SER  83           HB1      SER  83  -8.989  -2.882   3.741
  215    HG   SER  83           HG       SER  83  -6.401  -2.166   2.817
  216    H    GLY  84           HN       GLY  84  -9.250  -3.331  -0.581
  217    HA2  GLY  84           HA2      GLY  84 -11.260  -3.947  -1.629
  218    HA3  GLY  84           HA1      GLY  84 -11.979  -4.217  -0.049
  219    H    GLU  85           HN       GLU  85 -10.523  -1.363   0.320
  220    HA   GLU  85           HA       GLU  85 -13.017   0.062   0.001
  221    HB2  GLU  85           HB2      GLU  85 -10.334   0.914   1.100
  222    HB3  GLU  85           HB1      GLU  85 -11.763   1.937   1.074
  223    HG2  GLU  85           HG2      GLU  85 -11.497  -0.680   2.533
  224    HG3  GLU  85           HG1      GLU  85 -11.422   0.927   3.256
  225    H    LYS  86           HN       LYS  86 -13.511   0.811  -1.932
  226    HA   LYS  86           HA       LYS  86 -11.480   1.550  -3.843
  227    HB2  LYS  86           HB2      LYS  86 -13.601   0.354  -4.455
  228    HB3  LYS  86           HB1      LYS  86 -14.486   1.819  -4.054
  229    HG2  LYS  86           HG2      LYS  86 -13.310   3.029  -5.794
  230    HG3  LYS  86           HG1      LYS  86 -12.372   1.586  -6.184
  231    HD2  LYS  86           HD2      LYS  86 -14.165   1.786  -7.766
  232    HD3  LYS  86           HD1      LYS  86 -14.498   0.415  -6.701
  233    HE2  LYS  86           HE2      LYS  86 -16.032   1.791  -5.393
  234    HE3  LYS  86           HE1      LYS  86 -15.670   3.183  -6.415
  235    HZ1  LYS  86           HZ1      LYS  86 -16.588   1.972  -8.309
  236    HZ2  LYS  86           HZ2      LYS  86 -17.735   2.157  -7.081
  237    HZ3  LYS  86           HZ3      LYS  86 -16.969   0.660  -7.302
  Start of MODEL   16
    1    H1   GLY  58           HT1      GLY  58  10.663   4.153   5.890
    2    H2   GLY  58           HT2      GLY  58   9.356   5.233   5.866
    3    H3   GLY  58           HT3      GLY  58  10.900   5.784   6.278
    4    HA2  GLY  58           HA1      GLY  58  10.318   6.432   4.024
    5    HA3  GLY  58           HA2      GLY  58  11.704   5.340   4.048
    6    HA   PRO  59           HA       PRO  59   9.365   3.149   0.957
    7    HB2  PRO  59           HB2      PRO  59  10.858   0.839   1.000
    8    HB3  PRO  59           HB1      PRO  59  11.304   2.289   0.094
    9    HG2  PRO  59           HG2      PRO  59  12.267   1.347   2.759
   10    HG3  PRO  59           HG1      PRO  59  13.186   2.076   1.429
   11    HD2  PRO  59           HD2      PRO  59  12.462   3.488   3.600
   12    HD3  PRO  59           HD1      PRO  59  12.521   4.225   1.985
   13    H    LEU  60           HN       LEU  60   7.472   2.424   1.530
   14    HA   LEU  60           HA       LEU  60   7.192   0.738   3.883
   15    HB2  LEU  60           HB2      LEU  60   5.131   2.234   2.287
   16    HB3  LEU  60           HB1      LEU  60   4.775   1.258   3.707
   17    HG   LEU  60           HG       LEU  60   6.403   3.800   3.619
   18   HD11  LEU  60          HD11      LEU  60   3.785   3.131   4.956
   19   HD12  LEU  60          HD12      LEU  60   3.982   4.106   3.501
   20   HD13  LEU  60          HD13      LEU  60   4.629   4.677   5.039
   21   HD21  LEU  60          HD21      LEU  60   7.408   2.244   5.197
   22   HD22  LEU  60          HD22      LEU  60   5.835   1.965   5.946
   23   HD23  LEU  60          HD23      LEU  60   6.593   3.554   6.052
   24    H    LYS  61           HN       LYS  61   6.558  -1.274   3.880
   25    HA   LYS  61           HA       LYS  61   6.687  -2.676   1.371
   26    HB2  LYS  61           HB2      LYS  61   7.798  -3.363   3.542
   27    HB3  LYS  61           HB1      LYS  61   6.203  -3.785   4.140
   28    HG2  LYS  61           HG2      LYS  61   7.106  -5.804   3.434
   29    HG3  LYS  61           HG1      LYS  61   6.055  -5.324   2.101
   30    HD2  LYS  61           HD2      LYS  61   7.872  -4.643   0.773
   31    HD3  LYS  61           HD1      LYS  61   8.980  -4.645   2.147
   32    HE2  LYS  61           HE2      LYS  61   8.639  -7.115   2.308
   33    HE3  LYS  61           HE1      LYS  61   7.724  -7.030   0.803
   34    HZ1  LYS  61           HZ1      LYS  61   9.654  -6.250  -0.344
   35    HZ2  LYS  61           HZ2      LYS  61  10.087  -7.650   0.511
   36    HZ3  LYS  61           HZ3      LYS  61  10.535  -6.126   1.100
   37    H    CYS  62           HN       CYS  62   4.945  -3.256   0.174
   38    HA   CYS  62           HA       CYS  62   2.301  -3.217   1.328
   39    HB2  CYS  62           HB2      CYS  62   2.425  -2.587  -1.004
   40    HB3  CYS  62           HB1      CYS  62   3.268  -4.084  -1.424
   41    H    ARG  63           HN       ARG  63   1.494  -4.827   2.448
   42    HA   ARG  63           HA       ARG  63   2.987  -7.095   3.078
   43    HB2  ARG  63           HB2      ARG  63   0.047  -6.560   3.493
   44    HB3  ARG  63           HB1      ARG  63   0.937  -7.878   4.243
   45    HG2  ARG  63           HG2      ARG  63   1.337  -4.926   4.679
   46    HG3  ARG  63           HG1      ARG  63   0.701  -6.106   5.828
   47    HD2  ARG  63           HD2      ARG  63   3.507  -5.914   4.747
   48    HD3  ARG  63           HD1      ARG  63   2.979  -5.649   6.408
   49    HE   ARG  63           HE       ARG  63   2.287  -8.268   5.615
   50   HH11  ARG  63          HH11      ARG  63   5.062  -6.326   6.516
   51   HH12  ARG  63          HH12      ARG  63   6.040  -7.697   6.951
   52   HH21  ARG  63          HH21      ARG  63   3.556 -10.058   6.203
   53   HH22  ARG  63          HH22      ARG  63   5.190  -9.825   6.764
   54    H    GLU  64           HN       GLU  64   0.468  -6.669   0.654
   55    HA   GLU  64           HA       GLU  64   0.260  -9.563   0.349
   56    HB2  GLU  64           HB2      GLU  64  -1.335  -7.408  -1.044
   57    HB3  GLU  64           HB1      GLU  64  -1.684  -9.138  -1.037
   58    HG2  GLU  64           HG2      GLU  64  -1.846  -8.902   1.507
   59    HG3  GLU  64           HG1      GLU  64  -1.915  -7.167   1.210
   60    H    CYS  65           HN       CYS  65   1.754  -6.872  -1.214
   61    HA   CYS  65           HA       CYS  65   2.120  -8.421  -3.676
   62    HB2  CYS  65           HB2      CYS  65   2.687  -5.549  -2.992
   63    HB3  CYS  65           HB1      CYS  65   3.165  -6.288  -4.529
   64    H    GLY  66           HN       GLY  66   3.971  -6.868  -1.099
   65    HA2  GLY  66           HA2      GLY  66   6.031  -7.712  -0.290
   66    HA3  GLY  66           HA1      GLY  66   6.275  -8.542  -1.831
   67    H    LYS  67           HN       LYS  67   5.151  -5.544  -2.507
   68    HA   LYS  67           HA       LYS  67   7.762  -4.540  -3.193
   69    HB2  LYS  67           HB2      LYS  67   6.531  -2.857  -4.481
   70    HB3  LYS  67           HB1      LYS  67   6.070  -4.503  -4.918
   71    HG2  LYS  67           HG2      LYS  67   4.101  -4.244  -3.394
   72    HG3  LYS  67           HG1      LYS  67   4.525  -2.536  -3.257
   73    HD2  LYS  67           HD2      LYS  67   4.230  -3.819  -5.927
   74    HD3  LYS  67           HD1      LYS  67   2.801  -3.291  -5.042
   75    HE2  LYS  67           HE2      LYS  67   3.349  -1.493  -6.455
   76    HE3  LYS  67           HE1      LYS  67   3.942  -1.028  -4.861
   77    HZ1  LYS  67           HZ1      LYS  67   5.603  -2.164  -7.056
   78    HZ2  LYS  67           HZ2      LYS  67   6.173  -1.656  -5.541
   79    HZ3  LYS  67           HZ3      LYS  67   5.534  -0.524  -6.624
   80    H    GLN  68           HN       GLN  68   7.487  -1.911  -3.092
   81    HA   GLN  68           HA       GLN  68   6.766  -1.102  -0.413
   82    HB2  GLN  68           HB2      GLN  68   9.016  -0.408   0.234
   83    HB3  GLN  68           HB1      GLN  68   8.939  -2.148  -0.038
   84    HG2  GLN  68           HG2      GLN  68   9.890  -1.734  -2.318
   85    HG3  GLN  68           HG1      GLN  68  10.138  -0.056  -1.832
   86   HE21  GLN  68          HE21      GLN  68  10.737  -0.853   0.936
   87   HE22  GLN  68          HE22      GLN  68  12.364  -1.473   0.899
   88    H    PHE  69           HN       PHE  69   6.760   1.147  -0.084
   89    HA   PHE  69           HA       PHE  69   6.995   2.709  -2.592
   90    HB2  PHE  69           HB2      PHE  69   4.803   2.636  -0.546
   91    HB3  PHE  69           HB1      PHE  69   5.099   4.120  -1.458
   92    HD1  PHE  69           HD1      PHE  69   4.234   0.542  -1.790
   93    HD2  PHE  69           HD2      PHE  69   4.343   4.365  -3.645
   94    HE1  PHE  69           HE1      PHE  69   2.861  -0.320  -3.634
   95    HE2  PHE  69           HE2      PHE  69   2.971   3.511  -5.499
   96    HZ   PHE  69           HZ       PHE  69   2.226   1.163  -5.494
   97    H    THR  70           HN       THR  70   8.105   4.561  -2.497
   98    HA   THR  70           HA       THR  70   9.489   5.285  -0.105
   99    HB   THR  70           HB       THR  70  10.541   5.567  -2.300
  100    HG1  THR  70           HG1      THR  70  11.557   7.029  -1.161
  101   HG21  THR  70          HG21      THR  70   8.580   6.122  -3.625
  102   HG22  THR  70          HG22      THR  70   9.822   7.359  -3.820
  103   HG23  THR  70          HG23      THR  70   8.427   7.666  -2.785
  104    H    THR  71           HN       THR  71   6.452   6.058  -1.436
  105    HA   THR  71           HA       THR  71   6.192   8.420   0.303
  106    HB   THR  71           HB       THR  71   4.328   7.595  -1.933
  107    HG1  THR  71           HG1      THR  71   6.579   9.360  -1.953
  108   HG21  THR  71          HG21      THR  71   4.727  10.239  -0.515
  109   HG22  THR  71          HG22      THR  71   3.382   9.126  -0.252
  110   HG23  THR  71          HG23      THR  71   3.576   9.922  -1.816
  111    H    SER  72           HN       SER  72   4.911   8.316   2.010
  112    HA   SER  72           HA       SER  72   3.896   5.813   2.877
  113    HB2  SER  72           HB2      SER  72   4.800   7.479   4.436
  114    HB3  SER  72           HB1      SER  72   3.493   8.587   4.021
  115    HG   SER  72           HG       SER  72   2.982   6.003   5.050
  116    H    GLY  73           HN       GLY  73   2.368   8.767   1.661
  117    HA2  GLY  73           HA2      GLY  73  -0.309   7.937   2.057
  118    HA3  GLY  73           HA1      GLY  73   0.224   9.170   0.922
  119    H    ASN  74           HN       ASN  74   1.920   7.528  -0.645
  120    HA   ASN  74           HA       ASN  74   0.083   6.451  -2.461
  121    HB2  ASN  74           HB2      ASN  74   3.051   6.373  -2.211
  122    HB3  ASN  74           HB1      ASN  74   2.283   5.226  -3.306
  123   HD21  ASN  74          HD21      ASN  74   4.040   7.413  -3.972
  124   HD22  ASN  74          HD22      ASN  74   3.135   8.470  -5.008
  125    H    LEU  75           HN       LEU  75   2.100   4.885  -0.003
  126    HA   LEU  75           HA       LEU  75   1.308   2.240  -0.692
  127    HB2  LEU  75           HB2      LEU  75   3.361   2.991   0.652
  128    HB3  LEU  75           HB1      LEU  75   2.255   3.145   2.009
  129    HG   LEU  75           HG       LEU  75   3.703   0.983   1.673
  130   HD11  LEU  75          HD11      LEU  75   0.807   0.943   2.495
  131   HD12  LEU  75          HD12      LEU  75   2.179   1.375   3.513
  132   HD13  LEU  75          HD13      LEU  75   2.012  -0.273   2.912
  133   HD21  LEU  75          HD21      LEU  75   2.450  -0.798   0.569
  134   HD22  LEU  75          HD22      LEU  75   2.913   0.468  -0.567
  135   HD23  LEU  75          HD23      LEU  75   1.253   0.378   0.024
  136    H    LYS  76           HN       LYS  76   0.089   4.664   1.571
  137    HA   LYS  76           HA       LYS  76  -1.739   2.933   2.877
  138    HB2  LYS  76           HB2      LYS  76  -0.995   5.122   3.793
  139    HB3  LYS  76           HB1      LYS  76  -1.935   5.932   2.552
  140    HG2  LYS  76           HG2      LYS  76  -3.146   5.956   4.631
  141    HG3  LYS  76           HG1      LYS  76  -3.987   4.924   3.477
  142    HD2  LYS  76           HD2      LYS  76  -2.034   3.642   5.319
  143    HD3  LYS  76           HD1      LYS  76  -3.565   4.190   5.999
  144    HE2  LYS  76           HE2      LYS  76  -4.759   2.876   4.278
  145    HE3  LYS  76           HE1      LYS  76  -3.207   2.284   3.690
  146    HZ1  LYS  76           HZ1      LYS  76  -4.345   0.726   5.197
  147    HZ2  LYS  76           HZ2      LYS  76  -4.231   1.864   6.450
  148    HZ3  LYS  76           HZ3      LYS  76  -2.824   1.196   5.781
  149    H    ARG  77           HN       ARG  77  -2.113   5.236   0.190
  150    HA   ARG  77           HA       ARG  77  -4.809   4.600  -0.390
  151    HB2  ARG  77           HB2      ARG  77  -3.570   6.608  -1.214
  152    HB3  ARG  77           HB1      ARG  77  -2.656   5.568  -2.288
  153    HG2  ARG  77           HG2      ARG  77  -5.627   5.565  -2.472
  154    HG3  ARG  77           HG1      ARG  77  -4.725   6.925  -3.140
  155    HD2  ARG  77           HD2      ARG  77  -3.382   5.313  -4.467
  156    HD3  ARG  77           HD1      ARG  77  -4.414   4.014  -3.870
  157    HE   ARG  77           HE       ARG  77  -6.094   5.917  -4.975
  158   HH11  ARG  77          HH11      ARG  77  -3.493   3.838  -6.077
  159   HH12  ARG  77          HH12      ARG  77  -4.119   3.699  -7.691
  160   HH21  ARG  77          HH21      ARG  77  -6.898   5.753  -7.111
  161   HH22  ARG  77          HH22      ARG  77  -6.047   4.774  -8.272
  162    H    HIS  78           HN       HIS  78  -1.763   3.188  -1.323
  163    HA   HIS  78           HA       HIS  78  -2.640   1.382  -3.282
  164    HB2  HIS  78           HB2      HIS  78  -0.289   2.006  -2.885
  165    HB3  HIS  78           HB1      HIS  78  -0.333   1.188  -1.325
  166    HD1  HIS  78           HD1      HIS  78  -0.346   0.438  -5.040
  167    HD2  HIS  78           HD2      HIS  78   0.208  -1.450  -1.374
  168    HE1  HIS  78           HE1      HIS  78   0.605  -1.839  -5.556
  169    H    LEU  79           HN       LEU  79  -2.288   1.048   0.242
  170    HA   LEU  79           HA       LEU  79  -3.305  -1.639   0.195
  171    HB2  LEU  79           HB2      LEU  79  -2.790   0.212   2.520
  172    HB3  LEU  79           HB1      LEU  79  -3.209  -1.493   2.654
  173    HG   LEU  79           HG       LEU  79  -0.676  -0.310   1.512
  174   HD11  LEU  79          HD11      LEU  79  -1.223  -2.152   3.838
  175   HD12  LEU  79          HD12      LEU  79  -0.754  -0.453   3.936
  176   HD13  LEU  79          HD13      LEU  79   0.372  -1.647   3.286
  177   HD21  LEU  79          HD21      LEU  79  -1.386  -2.165   0.095
  178   HD22  LEU  79          HD22      LEU  79  -1.567  -3.195   1.517
  179   HD23  LEU  79          HD23      LEU  79   0.030  -2.606   1.051
  180    H    ARG  80           HN       ARG  80  -4.629   1.512   0.386
  181    HA   ARG  80           HA       ARG  80  -7.126   1.053   1.522
  182    HB2  ARG  80           HB2      ARG  80  -6.494   3.280   0.932
  183    HB3  ARG  80           HB1      ARG  80  -6.258   2.840  -0.751
  184    HG2  ARG  80           HG2      ARG  80  -8.259   4.110  -0.582
  185    HG3  ARG  80           HG1      ARG  80  -8.704   2.439  -0.926
  186    HD2  ARG  80           HD2      ARG  80  -9.264   2.079   1.403
  187    HD3  ARG  80           HD1      ARG  80  -8.728   3.711   1.809
  188    HE   ARG  80           HE       ARG  80 -10.614   4.138  -0.087
  189   HH11  ARG  80          HH11      ARG  80 -10.585   2.348   2.931
  190   HH12  ARG  80          HH12      ARG  80 -12.289   2.572   3.223
  191   HH21  ARG  80          HH21      ARG  80 -12.857   4.405   0.283
  192   HH22  ARG  80          HH22      ARG  80 -13.584   3.697   1.699
  193    H    ILE  81           HN       ILE  81  -6.072   0.586  -1.857
  194    HA   ILE  81           HA       ILE  81  -8.590  -0.556  -2.605
  195    HB   ILE  81           HB       ILE  81  -7.151   0.582  -4.264
  196   HG12  ILE  81          HG12      ILE  81  -7.494  -1.022  -6.086
  197   HG13  ILE  81          HG11      ILE  81  -7.695  -2.321  -4.915
  198   HG21  ILE  81          HG21      ILE  81  -5.239  -0.637  -5.235
  199   HG22  ILE  81          HG22      ILE  81  -5.369  -1.819  -3.933
  200   HG23  ILE  81          HG23      ILE  81  -4.972  -0.142  -3.562
  201   HD11  ILE  81          HD11      ILE  81  -9.491   0.075  -5.191
  202   HD12  ILE  81          HD12      ILE  81  -9.706  -1.266  -4.065
  203   HD13  ILE  81          HD13      ILE  81  -9.828  -1.546  -5.803
  204    H    HIS  82           HN       HIS  82  -5.573  -1.814  -1.355
  205    HA   HIS  82           HA       HIS  82  -6.069  -4.552  -1.858
  206    HB2  HIS  82           HB2      HIS  82  -4.322  -3.052   0.033
  207    HB3  HIS  82           HB1      HIS  82  -4.611  -4.761   0.356
  208    HD1  HIS  82           HD1      HIS  82  -3.825  -6.455  -1.570
  209    HD2  HIS  82           HD2      HIS  82  -2.453  -2.534  -1.867
  210    HE1  HIS  82           HE1      HIS  82  -1.920  -6.461  -3.262
  211    H    SER  83           HN       SER  83  -7.298  -2.332   0.489
  212    HA   SER  83           HA       SER  83  -8.416  -4.303   2.230
  213    HB2  SER  83           HB2      SER  83  -9.089  -1.372   1.878
  214    HB3  SER  83           HB1      SER  83  -9.663  -2.394   3.196
  215    HG   SER  83           HG       SER  83  -6.977  -1.668   2.608
  216    H    GLY  84           HN       GLY  84  -9.329  -2.885  -0.770
  217    HA2  GLY  84           HA2      GLY  84 -10.979  -3.608  -2.222
  218    HA3  GLY  84           HA1      GLY  84 -11.560  -4.694  -0.969
  219    H    GLU  85           HN       GLU  85 -11.352  -1.805   0.499
  220    HA   GLU  85           HA       GLU  85 -14.149  -1.494   0.633
  221    HB2  GLU  85           HB2      GLU  85 -11.932   0.334   1.564
  222    HB3  GLU  85           HB1      GLU  85 -13.634   0.558   1.946
  223    HG2  GLU  85           HG2      GLU  85 -13.595  -1.694   3.029
  224    HG3  GLU  85           HG1      GLU  85 -11.846  -1.702   2.800
  225    H    LYS  86           HN       LYS  86 -15.391  -0.612  -0.796
  226    HA   LYS  86           HA       LYS  86 -14.458   1.070  -2.899
  227    HB2  LYS  86           HB2      LYS  86 -17.265   0.423  -1.979
  228    HB3  LYS  86           HB1      LYS  86 -16.901   1.400  -3.392
  229    HG2  LYS  86           HG2      LYS  86 -17.339  -0.709  -4.255
  230    HG3  LYS  86           HG1      LYS  86 -15.578  -0.620  -4.227
  231    HD2  LYS  86           HD2      LYS  86 -15.510  -1.933  -2.196
  232    HD3  LYS  86           HD1      LYS  86 -17.273  -1.935  -2.105
  233    HE2  LYS  86           HE2      LYS  86 -15.576  -3.210  -4.250
  234    HE3  LYS  86           HE1      LYS  86 -16.489  -4.047  -2.995
  235    HZ1  LYS  86           HZ1      LYS  86 -17.525  -2.547  -5.326
  236    HZ2  LYS  86           HZ2      LYS  86 -18.503  -2.895  -3.985
  237    HZ3  LYS  86           HZ3      LYS  86 -17.826  -4.159  -4.887
  Start of MODEL   17
    1    H1   GLY  58           HT1      GLY  58  10.749   4.266   5.886
    2    H2   GLY  58           HT2      GLY  58  12.375   4.733   5.973
    3    H3   GLY  58           HT3      GLY  58  11.973   3.129   5.599
    4    HA2  GLY  58           HA1      GLY  58  11.450   5.522   3.922
    5    HA3  GLY  58           HA2      GLY  58  12.647   4.267   3.599
    6    HA   PRO  59           HA       PRO  59   9.542   2.694   0.815
    7    HB2  PRO  59           HB2      PRO  59  11.174   0.225   1.182
    8    HB3  PRO  59           HB1      PRO  59  10.617   0.993  -0.309
    9    HG2  PRO  59           HG2      PRO  59  13.149   1.235   0.458
   10    HG3  PRO  59           HG1      PRO  59  12.281   2.612  -0.253
   11    HD2  PRO  59           HD2      PRO  59  12.986   2.083   2.602
   12    HD3  PRO  59           HD1      PRO  59  12.935   3.620   1.716
   13    H    LEU  60           HN       LEU  60   7.648   2.306   1.644
   14    HA   LEU  60           HA       LEU  60   7.263   0.579   3.922
   15    HB2  LEU  60           HB2      LEU  60   5.281   2.142   2.271
   16    HB3  LEU  60           HB1      LEU  60   4.882   1.243   3.729
   17    HG   LEU  60           HG       LEU  60   6.736   3.625   3.592
   18   HD11  LEU  60          HD11      LEU  60   4.430   4.267   3.221
   19   HD12  LEU  60          HD12      LEU  60   4.953   4.780   4.825
   20   HD13  LEU  60          HD13      LEU  60   3.923   3.360   4.645
   21   HD21  LEU  60          HD21      LEU  60   5.725   2.035   5.950
   22   HD22  LEU  60          HD22      LEU  60   6.662   3.524   6.044
   23   HD23  LEU  60          HD23      LEU  60   7.381   2.074   5.349
   24    H    LYS  61           HN       LYS  61   6.518  -1.450   3.912
   25    HA   LYS  61           HA       LYS  61   6.588  -2.767   1.352
   26    HB2  LYS  61           HB2      LYS  61   7.717  -3.682   3.363
   27    HB3  LYS  61           HB1      LYS  61   6.140  -3.919   4.108
   28    HG2  LYS  61           HG2      LYS  61   6.633  -6.014   3.282
   29    HG3  LYS  61           HG1      LYS  61   5.620  -5.331   2.010
   30    HD2  LYS  61           HD2      LYS  61   7.424  -6.323   0.879
   31    HD3  LYS  61           HD1      LYS  61   7.803  -4.600   0.903
   32    HE2  LYS  61           HE2      LYS  61   9.775  -5.901   1.455
   33    HE3  LYS  61           HE1      LYS  61   9.251  -4.956   2.854
   34    HZ1  LYS  61           HZ1      LYS  61   8.267  -6.888   3.817
   35    HZ2  LYS  61           HZ2      LYS  61   9.855  -7.295   3.376
   36    HZ3  LYS  61           HZ3      LYS  61   8.551  -7.807   2.424
   37    H    CYS  62           HN       CYS  62   4.881  -3.336   0.160
   38    HA   CYS  62           HA       CYS  62   2.214  -3.255   1.268
   39    HB2  CYS  62           HB2      CYS  62   2.386  -2.581  -1.037
   40    HB3  CYS  62           HB1      CYS  62   3.256  -4.062  -1.475
   41    H    ARG  63           HN       ARG  63   1.112  -4.963   2.029
   42    HA   ARG  63           HA       ARG  63   2.642  -7.232   2.814
   43    HB2  ARG  63           HB2      ARG  63  -0.293  -6.588   3.145
   44    HB3  ARG  63           HB1      ARG  63   0.510  -7.959   3.899
   45    HG2  ARG  63           HG2      ARG  63   1.509  -5.170   4.334
   46    HG3  ARG  63           HG1      ARG  63   0.159  -5.812   5.269
   47    HD2  ARG  63           HD2      ARG  63   2.360  -6.066   6.386
   48    HD3  ARG  63           HD1      ARG  63   1.514  -7.590   6.131
   49    HE   ARG  63           HE       ARG  63   3.620  -6.723   4.270
   50   HH11  ARG  63          HH11      ARG  63   2.377  -9.000   6.617
   51   HH12  ARG  63          HH12      ARG  63   3.529 -10.244   6.219
   52   HH21  ARG  63          HH21      ARG  63   5.138  -8.370   3.717
   53   HH22  ARG  63          HH22      ARG  63   5.081  -9.894   4.553
   54    H    GLU  64           HN       GLU  64   0.095  -6.710   0.425
   55    HA   GLU  64           HA       GLU  64  -0.072  -9.572  -0.075
   56    HB2  GLU  64           HB2      GLU  64  -1.596  -7.280  -1.322
   57    HB3  GLU  64           HB1      GLU  64  -1.906  -8.994  -1.611
   58    HG2  GLU  64           HG2      GLU  64  -2.171  -7.554   1.018
   59    HG3  GLU  64           HG1      GLU  64  -3.488  -8.097  -0.020
   60    H    CYS  65           HN       CYS  65   1.714  -6.969  -1.295
   61    HA   CYS  65           HA       CYS  65   2.146  -8.403  -3.833
   62    HB2  CYS  65           HB2      CYS  65   2.662  -5.539  -3.073
   63    HB3  CYS  65           HB1      CYS  65   3.192  -6.251  -4.603
   64    H    GLY  66           HN       GLY  66   3.833  -6.865  -1.113
   65    HA2  GLY  66           HA2      GLY  66   5.862  -7.696  -0.208
   66    HA3  GLY  66           HA1      GLY  66   6.171  -8.533  -1.733
   67    H    LYS  67           HN       LYS  67   5.104  -5.547  -2.514
   68    HA   LYS  67           HA       LYS  67   7.742  -4.601  -3.134
   69    HB2  LYS  67           HB2      LYS  67   6.530  -2.878  -4.432
   70    HB3  LYS  67           HB1      LYS  67   6.129  -4.531  -4.902
   71    HG2  LYS  67           HG2      LYS  67   4.105  -4.328  -3.411
   72    HG3  LYS  67           HG1      LYS  67   4.472  -2.601  -3.309
   73    HD2  LYS  67           HD2      LYS  67   4.215  -4.052  -5.916
   74    HD3  LYS  67           HD1      LYS  67   2.827  -3.323  -5.102
   75    HE2  LYS  67           HE2      LYS  67   3.833  -1.148  -5.225
   76    HE3  LYS  67           HE1      LYS  67   5.335  -1.830  -5.863
   77    HZ1  LYS  67           HZ1      LYS  67   3.874  -0.809  -7.576
   78    HZ2  LYS  67           HZ2      LYS  67   2.712  -2.001  -7.256
   79    HZ3  LYS  67           HZ3      LYS  67   4.226  -2.440  -7.870
   80    H    GLN  68           HN       GLN  68   7.526  -1.966  -3.091
   81    HA   GLN  68           HA       GLN  68   6.967  -1.161  -0.344
   82    HB2  GLN  68           HB2      GLN  68   9.757  -1.238  -1.503
   83    HB3  GLN  68           HB1      GLN  68   9.322  -0.338  -0.049
   84    HG2  GLN  68           HG2      GLN  68   8.667  -2.410   1.046
   85    HG3  GLN  68           HG1      GLN  68   9.060  -3.317  -0.413
   86   HE21  GLN  68          HE21      GLN  68  10.313  -1.591   2.320
   87   HE22  GLN  68          HE22      GLN  68  11.964  -2.121   2.150
   88    H    PHE  69           HN       PHE  69   6.789   1.037  -0.033
   89    HA   PHE  69           HA       PHE  69   7.078   2.692  -2.470
   90    HB2  PHE  69           HB2      PHE  69   4.830   2.570  -0.481
   91    HB3  PHE  69           HB1      PHE  69   5.116   4.026  -1.435
   92    HD1  PHE  69           HD1      PHE  69   4.278   0.443  -1.620
   93    HD2  PHE  69           HD2      PHE  69   4.472   4.141  -3.710
   94    HE1  PHE  69           HE1      PHE  69   2.988  -0.543  -3.470
   95    HE2  PHE  69           HE2      PHE  69   3.194   3.162  -5.569
   96    HZ   PHE  69           HZ       PHE  69   2.454   0.852  -5.470
   97    H    THR  70           HN       THR  70   8.039   4.634  -2.271
   98    HA   THR  70           HA       THR  70   9.416   5.177   0.208
   99    HB   THR  70           HB       THR  70  10.437   7.057  -1.130
  100    HG1  THR  70           HG1      THR  70   9.466   7.553  -2.938
  101   HG21  THR  70          HG21      THR  70  11.747   5.545  -2.583
  102   HG22  THR  70          HG22      THR  70  10.576   4.264  -2.265
  103   HG23  THR  70          HG23      THR  70  11.550   4.913  -0.947
  104    H    THR  71           HN       THR  71   6.427   5.946  -0.957
  105    HA   THR  71           HA       THR  71   6.316   8.436   0.604
  106    HB   THR  71           HB       THR  71   4.646   7.775  -1.835
  107    HG1  THR  71           HG1      THR  71   6.431   8.362  -2.841
  108   HG21  THR  71          HG21      THR  71   3.591   9.289  -0.188
  109   HG22  THR  71          HG22      THR  71   3.941  10.091  -1.720
  110   HG23  THR  71          HG23      THR  71   4.979  10.365  -0.320
  111    H    SER  72           HN       SER  72   4.865   8.481   2.177
  112    HA   SER  72           HA       SER  72   3.699   6.108   3.099
  113    HB2  SER  72           HB2      SER  72   4.362   7.945   4.587
  114    HB3  SER  72           HB1      SER  72   3.097   8.964   3.903
  115    HG   SER  72           HG       SER  72   2.403   8.011   5.842
  116    H    GLY  73           HN       GLY  73   2.100   9.023   1.753
  117    HA2  GLY  73           HA2      GLY  73  -0.514   7.979   1.800
  118    HA3  GLY  73           HA1      GLY  73   0.040   9.282   0.760
  119    H    ASN  74           HN       ASN  74   2.078   7.557  -0.490
  120    HA   ASN  74           HA       ASN  74   0.507   6.563  -2.627
  121    HB2  ASN  74           HB2      ASN  74   3.428   6.375  -1.947
  122    HB3  ASN  74           HB1      ASN  74   2.768   5.421  -3.271
  123   HD21  ASN  74          HD21      ASN  74   1.580   8.603  -2.401
  124   HD22  ASN  74          HD22      ASN  74   2.144   9.407  -3.827
  125    H    LEU  75           HN       LEU  75   2.038   5.043   0.149
  126    HA   LEU  75           HA       LEU  75   1.327   2.382  -0.715
  127    HB2  LEU  75           HB2      LEU  75   3.355   3.028   0.691
  128    HB3  LEU  75           HB1      LEU  75   2.225   3.244   2.020
  129    HG   LEU  75           HG       LEU  75   3.580   1.011   1.740
  130   HD11  LEU  75          HD11      LEU  75   0.665   1.083   2.484
  131   HD12  LEU  75          HD12      LEU  75   2.015   1.506   3.534
  132   HD13  LEU  75          HD13      LEU  75   1.829  -0.151   2.963
  133   HD21  LEU  75          HD21      LEU  75   2.252  -0.725   0.619
  134   HD22  LEU  75          HD22      LEU  75   2.842   0.493  -0.509
  135   HD23  LEU  75          HD23      LEU  75   1.158   0.517   0.010
  136    H    LYS  76           HN       LYS  76   0.017   4.851   1.409
  137    HA   LYS  76           HA       LYS  76  -1.886   3.203   2.699
  138    HB2  LYS  76           HB2      LYS  76  -1.603   6.156   2.342
  139    HB3  LYS  76           HB1      LYS  76  -3.080   5.495   3.028
  140    HG2  LYS  76           HG2      LYS  76  -0.340   4.918   4.131
  141    HG3  LYS  76           HG1      LYS  76  -1.361   6.246   4.688
  142    HD2  LYS  76           HD2      LYS  76  -2.065   4.713   6.194
  143    HD3  LYS  76           HD1      LYS  76  -3.108   4.200   4.870
  144    HE2  LYS  76           HE2      LYS  76  -2.117   2.237   5.742
  145    HE3  LYS  76           HE1      LYS  76  -1.280   2.573   4.231
  146    HZ1  LYS  76           HZ1      LYS  76   0.286   1.972   5.932
  147    HZ2  LYS  76           HZ2      LYS  76  -0.288   3.193   6.957
  148    HZ3  LYS  76           HZ3      LYS  76   0.511   3.603   5.518
  149    H    ARG  77           HN       ARG  77  -2.204   5.355  -0.136
  150    HA   ARG  77           HA       ARG  77  -4.914   4.690  -0.646
  151    HB2  ARG  77           HB2      ARG  77  -4.664   5.822  -2.701
  152    HB3  ARG  77           HB1      ARG  77  -3.519   6.621  -1.635
  153    HG2  ARG  77           HG2      ARG  77  -1.775   5.031  -2.623
  154    HG3  ARG  77           HG1      ARG  77  -2.973   4.705  -3.874
  155    HD2  ARG  77           HD2      ARG  77  -1.613   7.298  -3.211
  156    HD3  ARG  77           HD1      ARG  77  -1.601   6.414  -4.734
  157    HE   ARG  77           HE       ARG  77  -3.861   7.963  -3.660
  158   HH11  ARG  77          HH11      ARG  77  -2.274   6.361  -6.339
  159   HH12  ARG  77          HH12      ARG  77  -3.295   7.076  -7.546
  160   HH21  ARG  77          HH21      ARG  77  -5.202   8.916  -5.234
  161   HH22  ARG  77          HH22      ARG  77  -4.974   8.521  -6.911
  162    H    HIS  78           HN       HIS  78  -1.887   3.225  -1.385
  163    HA   HIS  78           HA       HIS  78  -2.652   1.350  -3.338
  164    HB2  HIS  78           HB2      HIS  78  -0.334   2.075  -2.826
  165    HB3  HIS  78           HB1      HIS  78  -0.435   1.237  -1.277
  166    HD1  HIS  78           HD1      HIS  78  -0.354   0.519  -4.998
  167    HD2  HIS  78           HD2      HIS  78   0.221  -1.397  -1.347
  168    HE1  HIS  78           HE1      HIS  78   0.648  -1.734  -5.533
  169    H    LEU  79           HN       LEU  79  -2.189   1.035   0.183
  170    HA   LEU  79           HA       LEU  79  -3.200  -1.641   0.185
  171    HB2  LEU  79           HB2      LEU  79  -2.601   0.226   2.470
  172    HB3  LEU  79           HB1      LEU  79  -3.063  -1.463   2.651
  173    HG   LEU  79           HG       LEU  79  -0.513  -0.332   1.521
  174   HD11  LEU  79          HD11      LEU  79   0.489  -1.856   3.164
  175   HD12  LEU  79          HD12      LEU  79  -1.125  -2.348   3.679
  176   HD13  LEU  79          HD13      LEU  79  -0.590  -0.683   3.920
  177   HD21  LEU  79          HD21      LEU  79  -1.244  -2.022  -0.057
  178   HD22  LEU  79          HD22      LEU  79  -1.501  -3.166   1.260
  179   HD23  LEU  79          HD23      LEU  79   0.128  -2.606   0.884
  180    H    ARG  80           HN       ARG  80  -4.629   1.493   0.472
  181    HA   ARG  80           HA       ARG  80  -7.072   0.867   1.642
  182    HB2  ARG  80           HB2      ARG  80  -6.574   3.149   0.982
  183    HB3  ARG  80           HB1      ARG  80  -6.484   2.681  -0.711
  184    HG2  ARG  80           HG2      ARG  80  -8.877   2.096  -0.650
  185    HG3  ARG  80           HG1      ARG  80  -8.948   2.664   1.019
  186    HD2  ARG  80           HD2      ARG  80  -8.302   4.900   0.293
  187    HD3  ARG  80           HD1      ARG  80  -8.182   4.333  -1.373
  188    HE   ARG  80           HE       ARG  80 -10.658   3.787  -1.074
  189   HH11  ARG  80          HH11      ARG  80  -9.033   6.419   0.547
  190   HH12  ARG  80          HH12      ARG  80 -10.455   7.403   0.678
  191   HH21  ARG  80          HH21      ARG  80 -12.558   5.068  -0.908
  192   HH22  ARG  80          HH22      ARG  80 -12.458   6.645  -0.165
  193    H    ILE  81           HN       ILE  81  -6.022   0.507  -1.722
  194    HA   ILE  81           HA       ILE  81  -8.335  -0.757  -2.708
  195    HB   ILE  81           HB       ILE  81  -5.460  -1.059  -3.604
  196   HG12  ILE  81          HG12      ILE  81  -6.230   1.248  -3.714
  197   HG13  ILE  81          HG11      ILE  81  -6.079   0.588  -5.338
  198   HG21  ILE  81          HG21      ILE  81  -7.978  -1.728  -5.115
  199   HG22  ILE  81          HG22      ILE  81  -6.888  -2.901  -4.380
  200   HG23  ILE  81          HG23      ILE  81  -6.320  -1.885  -5.705
  201   HD11  ILE  81          HD11      ILE  81  -8.500   0.241  -5.411
  202   HD12  ILE  81          HD12      ILE  81  -8.082   1.931  -5.131
  203   HD13  ILE  81          HD13      ILE  81  -8.639   0.930  -3.792
  204    H    HIS  82           HN       HIS  82  -5.418  -2.011  -1.175
  205    HA   HIS  82           HA       HIS  82  -5.997  -4.760  -1.586
  206    HB2  HIS  82           HB2      HIS  82  -4.047  -3.256   0.125
  207    HB3  HIS  82           HB1      HIS  82  -4.239  -5.001   0.328
  208    HD1  HIS  82           HD1      HIS  82  -3.826  -6.422  -1.997
  209    HD2  HIS  82           HD2      HIS  82  -2.337  -2.539  -1.804
  210    HE1  HIS  82           HE1      HIS  82  -1.982  -6.249  -3.745
  211    H    SER  83           HN       SER  83  -7.029  -2.495   0.814
  212    HA   SER  83           HA       SER  83  -7.752  -4.545   2.727
  213    HB2  SER  83           HB2      SER  83  -8.391  -1.586   2.757
  214    HB3  SER  83           HB1      SER  83  -8.564  -2.707   4.107
  215    HG   SER  83           HG       SER  83  -6.146  -1.938   2.814
  216    H    GLY  84           HN       GLY  84  -9.116  -3.261  -0.051
  217    HA2  GLY  84           HA2      GLY  84 -11.157  -3.881  -1.006
  218    HA3  GLY  84           HA1      GLY  84 -11.684  -4.479   0.559
  219    H    GLU  85           HN       GLU  85 -10.300  -1.327   0.358
  220    HA   GLU  85           HA       GLU  85 -12.844  -0.159   1.135
  221    HB2  GLU  85           HB2      GLU  85 -10.090   1.091   0.989
  222    HB3  GLU  85           HB1      GLU  85 -11.523   1.823   1.697
  223    HG2  GLU  85           HG2      GLU  85 -10.198  -0.689   2.690
  224    HG3  GLU  85           HG1      GLU  85  -9.973   0.920   3.373
  225    H    LYS  86           HN       LYS  86 -14.047   0.947  -0.225
  226    HA   LYS  86           HA       LYS  86 -13.410   1.016  -2.992
  227    HB2  LYS  86           HB2      LYS  86 -15.716   0.746  -1.945
  228    HB3  LYS  86           HB1      LYS  86 -15.688   2.482  -1.673
  229    HG2  LYS  86           HG2      LYS  86 -15.485   2.870  -4.064
  230    HG3  LYS  86           HG1      LYS  86 -15.462   1.128  -4.353
  231    HD2  LYS  86           HD2      LYS  86 -17.707   0.969  -3.324
  232    HD3  LYS  86           HD1      LYS  86 -17.727   2.724  -3.155
  233    HE2  LYS  86           HE2      LYS  86 -18.969   2.132  -5.118
  234    HE3  LYS  86           HE1      LYS  86 -17.468   2.913  -5.617
  235    HZ1  LYS  86           HZ1      LYS  86 -17.901  -0.025  -5.530
  236    HZ2  LYS  86           HZ2      LYS  86 -16.530   0.776  -6.136
  237    HZ3  LYS  86           HZ3      LYS  86 -18.022   0.924  -6.929
  Start of MODEL   18
    1    H1   GLY  58           HT1      GLY  58  12.058   6.755   4.038
    2    H2   GLY  58           HT2      GLY  58  10.393   6.495   3.840
    3    H3   GLY  58           HT3      GLY  58  11.376   6.758   2.485
    4    HA2  GLY  58           HA1      GLY  58  12.537   4.690   2.856
    5    HA3  GLY  58           HA2      GLY  58  11.574   4.430   4.313
    6    HA   PRO  59           HA       PRO  59   9.250   3.002   0.379
    7    HB2  PRO  59           HB2      PRO  59  10.861   0.545   0.327
    8    HB3  PRO  59           HB1      PRO  59  10.371   1.590  -1.009
    9    HG2  PRO  59           HG2      PRO  59  12.913   1.495  -0.179
   10    HG3  PRO  59           HG1      PRO  59  12.172   3.006  -0.743
   11    HD2  PRO  59           HD2      PRO  59  12.644   2.069   2.069
   12    HD3  PRO  59           HD1      PRO  59  12.924   3.676   1.358
   13    H    LEU  60           HN       LEU  60   7.488   2.397   1.322
   14    HA   LEU  60           HA       LEU  60   7.475   0.780   3.698
   15    HB2  LEU  60           HB2      LEU  60   5.207   2.024   2.152
   16    HB3  LEU  60           HB1      LEU  60   5.052   1.239   3.715
   17    HG   LEU  60           HG       LEU  60   6.596   3.769   3.134
   18   HD11  LEU  60          HD11      LEU  60   4.166   4.036   3.123
   19   HD12  LEU  60          HD12      LEU  60   4.905   4.838   4.508
   20   HD13  LEU  60          HD13      LEU  60   4.080   3.295   4.723
   21   HD21  LEU  60          HD21      LEU  60   7.695   2.431   4.858
   22   HD22  LEU  60          HD22      LEU  60   6.174   2.314   5.744
   23   HD23  LEU  60          HD23      LEU  60   6.960   3.880   5.547
   24    H    LYS  61           HN       LYS  61   6.820  -1.270   3.916
   25    HA   LYS  61           HA       LYS  61   6.923  -2.817   1.486
   26    HB2  LYS  61           HB2      LYS  61   8.225  -3.457   3.461
   27    HB3  LYS  61           HB1      LYS  61   6.742  -3.658   4.380
   28    HG2  LYS  61           HG2      LYS  61   7.406  -5.821   3.787
   29    HG3  LYS  61           HG1      LYS  61   6.098  -5.420   2.674
   30    HD2  LYS  61           HD2      LYS  61   7.669  -4.944   0.912
   31    HD3  LYS  61           HD1      LYS  61   9.030  -5.135   2.024
   32    HE2  LYS  61           HE2      LYS  61   8.227  -7.505   2.391
   33    HE3  LYS  61           HE1      LYS  61   7.134  -7.249   1.031
   34    HZ1  LYS  61           HZ1      LYS  61  10.076  -6.885   0.845
   35    HZ2  LYS  61           HZ2      LYS  61   8.963  -6.963  -0.431
   36    HZ3  LYS  61           HZ3      LYS  61   9.297  -8.342   0.490
   37    H    CYS  62           HN       CYS  62   5.186  -3.410   0.365
   38    HA   CYS  62           HA       CYS  62   2.626  -3.780   1.720
   39    HB2  CYS  62           HB2      CYS  62   2.532  -2.718  -0.494
   40    HB3  CYS  62           HB1      CYS  62   3.416  -4.064  -1.214
   41    H    ARG  63           HN       ARG  63   2.876  -5.639   2.946
   42    HA   ARG  63           HA       ARG  63   4.458  -7.832   2.256
   43    HB2  ARG  63           HB2      ARG  63   1.958  -7.840   3.952
   44    HB3  ARG  63           HB1      ARG  63   3.188  -9.092   3.932
   45    HG2  ARG  63           HG2      ARG  63   4.823  -7.526   4.818
   46    HG3  ARG  63           HG1      ARG  63   3.606  -6.245   4.807
   47    HD2  ARG  63           HD2      ARG  63   2.213  -7.665   6.319
   48    HD3  ARG  63           HD1      ARG  63   3.570  -8.783   6.429
   49    HE   ARG  63           HE       ARG  63   4.843  -7.010   7.498
   50   HH11  ARG  63          HH11      ARG  63   1.391  -6.502   7.180
   51   HH12  ARG  63          HH12      ARG  63   1.280  -5.466   8.577
   52   HH21  ARG  63          HH21      ARG  63   4.702  -5.649   9.346
   53   HH22  ARG  63          HH22      ARG  63   3.163  -4.981   9.799
   54    H    GLU  64           HN       GLU  64   1.226  -6.994   1.323
   55    HA   GLU  64           HA       GLU  64   0.373  -9.560   0.480
   56    HB2  GLU  64           HB2      GLU  64  -0.674  -6.967  -0.633
   57    HB3  GLU  64           HB1      GLU  64  -1.540  -8.481  -0.368
   58    HG2  GLU  64           HG2      GLU  64  -0.561  -6.566   1.738
   59    HG3  GLU  64           HG1      GLU  64  -2.232  -6.839   1.252
   60    H    CYS  65           HN       CYS  65   1.939  -6.847  -1.186
   61    HA   CYS  65           HA       CYS  65   1.997  -8.349  -3.696
   62    HB2  CYS  65           HB2      CYS  65   2.817  -5.573  -2.884
   63    HB3  CYS  65           HB1      CYS  65   3.217  -6.235  -4.480
   64    H    GLY  66           HN       GLY  66   4.145  -7.010  -1.262
   65    HA2  GLY  66           HA2      GLY  66   6.160  -8.139  -0.613
   66    HA3  GLY  66           HA1      GLY  66   6.296  -8.766  -2.254
   67    H    LYS  67           HN       LYS  67   5.294  -5.613  -2.411
   68    HA   LYS  67           HA       LYS  67   8.006  -4.751  -3.012
   69    HB2  LYS  67           HB2      LYS  67   7.014  -3.189  -4.609
   70    HB3  LYS  67           HB1      LYS  67   6.573  -4.858  -4.971
   71    HG2  LYS  67           HG2      LYS  67   4.467  -4.195  -3.491
   72    HG3  LYS  67           HG1      LYS  67   4.893  -2.592  -4.096
   73    HD2  LYS  67           HD2      LYS  67   5.029  -3.725  -6.396
   74    HD3  LYS  67           HD1      LYS  67   4.137  -5.046  -5.635
   75    HE2  LYS  67           HE2      LYS  67   2.374  -3.491  -5.000
   76    HE3  LYS  67           HE1      LYS  67   3.255  -2.174  -5.774
   77    HZ1  LYS  67           HZ1      LYS  67   1.966  -4.505  -7.070
   78    HZ2  LYS  67           HZ2      LYS  67   3.129  -3.567  -7.866
   79    HZ3  LYS  67           HZ3      LYS  67   1.683  -2.854  -7.344
   80    H    GLN  68           HN       GLN  68   7.712  -2.116  -3.131
   81    HA   GLN  68           HA       GLN  68   6.934  -1.262  -0.452
   82    HB2  GLN  68           HB2      GLN  68   9.773  -1.287  -1.481
   83    HB3  GLN  68           HB1      GLN  68   9.254  -0.334  -0.088
   84    HG2  GLN  68           HG2      GLN  68   8.600  -2.354   1.077
   85    HG3  GLN  68           HG1      GLN  68   9.035  -3.333  -0.322
   86   HE21  GLN  68          HE21      GLN  68  10.912  -0.592   0.736
   87   HE22  GLN  68          HE22      GLN  68  12.293  -1.501   1.293
   88    H    PHE  69           HN       PHE  69   6.764   0.976  -0.170
   89    HA   PHE  69           HA       PHE  69   6.925   2.550  -2.671
   90    HB2  PHE  69           HB2      PHE  69   4.679   2.375  -0.669
   91    HB3  PHE  69           HB1      PHE  69   4.836   3.736  -1.782
   92    HD1  PHE  69           HD1      PHE  69   4.461   0.048  -1.635
   93    HD2  PHE  69           HD2      PHE  69   4.066   3.579  -3.974
   94    HE1  PHE  69           HE1      PHE  69   3.291  -1.238  -3.373
   95    HE2  PHE  69           HE2      PHE  69   2.893   2.300  -5.713
   96    HZ   PHE  69           HZ       PHE  69   2.501  -0.111  -5.410
   97    H    THR  70           HN       THR  70   8.036   4.380  -2.501
   98    HA   THR  70           HA       THR  70   9.323   5.081  -0.070
   99    HB   THR  70           HB       THR  70  10.155   7.054  -1.362
  100    HG1  THR  70           HG1      THR  70   9.592   6.809  -3.731
  101   HG21  THR  70          HG21      THR  70  10.341   4.399  -2.787
  102   HG22  THR  70          HG22      THR  70  11.324   4.892  -1.408
  103   HG23  THR  70          HG23      THR  70  11.472   5.744  -2.947
  104    H    THR  71           HN       THR  71   6.341   6.052  -1.496
  105    HA   THR  71           HA       THR  71   6.142   8.366   0.295
  106    HB   THR  71           HB       THR  71   3.820   8.224  -1.281
  107    HG1  THR  71           HG1      THR  71   6.182   7.668  -2.786
  108   HG21  THR  71          HG21      THR  71   6.328   9.861  -1.683
  109   HG22  THR  71          HG22      THR  71   5.006  10.260  -0.586
  110   HG23  THR  71          HG23      THR  71   4.731  10.243  -2.329
  111    H    SER  72           HN       SER  72   4.881   8.346   2.015
  112    HA   SER  72           HA       SER  72   3.842   5.916   3.014
  113    HB2  SER  72           HB2      SER  72   4.693   7.626   4.519
  114    HB3  SER  72           HB1      SER  72   3.468   8.766   3.966
  115    HG   SER  72           HG       SER  72   2.033   7.849   5.210
  116    H    GLY  73           HN       GLY  73   2.291   8.821   1.685
  117    HA2  GLY  73           HA2      GLY  73  -0.375   7.897   2.076
  118    HA3  GLY  73           HA1      GLY  73   0.127   9.189   0.992
  119    H    ASN  74           HN       ASN  74   1.933   7.570  -0.538
  120    HA   ASN  74           HA       ASN  74   0.271   6.520  -2.512
  121    HB2  ASN  74           HB2      ASN  74   2.817   7.113  -2.569
  122    HB3  ASN  74           HB1      ASN  74   3.044   5.447  -2.047
  123   HD21  ASN  74          HD21      ASN  74   3.851   6.733  -4.508
  124   HD22  ASN  74          HD22      ASN  74   3.109   5.840  -5.791
  125    H    LEU  75           HN       LEU  75   2.008   4.940   0.129
  126    HA   LEU  75           HA       LEU  75   1.074   2.318  -0.468
  127    HB2  LEU  75           HB2      LEU  75   3.125   3.115   0.942
  128    HB3  LEU  75           HB1      LEU  75   1.961   3.193   2.258
  129    HG   LEU  75           HG       LEU  75   3.430   1.074   1.968
  130   HD11  LEU  75          HD11      LEU  75   1.687  -0.309   2.918
  131   HD12  LEU  75          HD12      LEU  75   0.456   0.826   2.364
  132   HD13  LEU  75          HD13      LEU  75   1.622   1.316   3.595
  133   HD21  LEU  75          HD21      LEU  75   2.410  -0.656   0.588
  134   HD22  LEU  75          HD22      LEU  75   2.959   0.707  -0.388
  135   HD23  LEU  75          HD23      LEU  75   1.243   0.516  -0.025
  136    H    LYS  76           HN       LYS  76  -0.140   4.975   1.500
  137    HA   LYS  76           HA       LYS  76  -2.125   3.513   2.902
  138    HB2  LYS  76           HB2      LYS  76  -2.061   6.437   2.113
  139    HB3  LYS  76           HB1      LYS  76  -3.258   5.732   3.185
  140    HG2  LYS  76           HG2      LYS  76  -0.294   5.869   3.698
  141    HG3  LYS  76           HG1      LYS  76  -1.522   6.908   4.419
  142    HD2  LYS  76           HD2      LYS  76  -1.321   5.383   6.096
  143    HD3  LYS  76           HD1      LYS  76  -2.538   4.555   5.125
  144    HE2  LYS  76           HE2      LYS  76  -0.817   2.992   5.781
  145    HE3  LYS  76           HE1      LYS  76  -0.744   3.256   4.039
  146    HZ1  LYS  76           HZ1      LYS  76   1.120   4.713   4.337
  147    HZ2  LYS  76           HZ2      LYS  76   1.453   3.251   5.135
  148    HZ3  LYS  76           HZ3      LYS  76   0.993   4.621   6.025
  149    H    ARG  77           HN       ARG  77  -2.314   5.496  -0.052
  150    HA   ARG  77           HA       ARG  77  -4.938   4.821  -0.792
  151    HB2  ARG  77           HB2      ARG  77  -2.611   5.295  -2.664
  152    HB3  ARG  77           HB1      ARG  77  -4.314   5.451  -3.061
  153    HG2  ARG  77           HG2      ARG  77  -4.516   7.368  -1.612
  154    HG3  ARG  77           HG1      ARG  77  -2.844   7.174  -1.074
  155    HD2  ARG  77           HD2      ARG  77  -2.115   7.469  -3.430
  156    HD3  ARG  77           HD1      ARG  77  -3.786   7.808  -3.868
  157    HE   ARG  77           HE       ARG  77  -3.453   9.670  -2.054
  158   HH11  ARG  77          HH11      ARG  77  -1.116   8.564  -4.426
  159   HH12  ARG  77          HH12      ARG  77  -0.377  10.130  -4.624
  160   HH21  ARG  77          HH21      ARG  77  -2.477  11.740  -2.308
  161   HH22  ARG  77          HH22      ARG  77  -1.139  11.925  -3.406
  162    H    HIS  78           HN       HIS  78  -1.875   3.255  -1.310
  163    HA   HIS  78           HA       HIS  78  -2.653   1.293  -3.147
  164    HB2  HIS  78           HB2      HIS  78  -0.327   2.008  -2.659
  165    HB3  HIS  78           HB1      HIS  78  -0.426   1.195  -1.099
  166    HD1  HIS  78           HD1      HIS  78  -0.403   0.422  -4.804
  167    HD2  HIS  78           HD2      HIS  78   0.171  -1.443  -1.129
  168    HE1  HIS  78           HE1      HIS  78   0.542  -1.866  -5.309
  169    H    LEU  79           HN       LEU  79  -2.679   1.315   0.394
  170    HA   LEU  79           HA       LEU  79  -3.560  -1.442   0.467
  171    HB2  LEU  79           HB2      LEU  79  -3.170   0.602   2.648
  172    HB3  LEU  79           HB1      LEU  79  -3.714  -1.050   2.935
  173    HG   LEU  79           HG       LEU  79  -1.032  -0.154   1.882
  174   HD11  LEU  79          HD11      LEU  79  -1.883  -1.681   4.342
  175   HD12  LEU  79          HD12      LEU  79  -1.298  -0.018   4.288
  176   HD13  LEU  79          HD13      LEU  79  -0.217  -1.348   3.872
  177   HD21  LEU  79          HD21      LEU  79  -1.724  -2.106   0.612
  178   HD22  LEU  79          HD22      LEU  79  -2.126  -2.957   2.104
  179   HD23  LEU  79          HD23      LEU  79  -0.450  -2.537   1.752
  180    H    ARG  80           HN       ARG  80  -4.986   1.718   0.517
  181    HA   ARG  80           HA       ARG  80  -7.553   1.103   1.482
  182    HB2  ARG  80           HB2      ARG  80  -6.873   3.404   1.019
  183    HB3  ARG  80           HB1      ARG  80  -6.727   3.049  -0.698
  184    HG2  ARG  80           HG2      ARG  80  -9.109   2.665  -0.857
  185    HG3  ARG  80           HG1      ARG  80  -9.290   2.914   0.878
  186    HD2  ARG  80           HD2      ARG  80  -9.960   4.909  -0.306
  187    HD3  ARG  80           HD1      ARG  80  -8.486   5.227   0.606
  188    HE   ARG  80           HE       ARG  80  -7.614   4.525  -1.893
  189   HH11  ARG  80          HH11      ARG  80  -9.848   6.929  -0.661
  190   HH12  ARG  80          HH12      ARG  80  -9.475   8.087  -1.904
  191   HH21  ARG  80          HH21      ARG  80  -7.135   6.050  -3.536
  192   HH22  ARG  80          HH22      ARG  80  -7.942   7.595  -3.530
  193    H    ILE  81           HN       ILE  81  -6.097   0.641  -1.721
  194    HA   ILE  81           HA       ILE  81  -8.572  -0.401  -2.781
  195    HB   ILE  81           HB       ILE  81  -7.009   0.848  -4.237
  196   HG12  ILE  81          HG12      ILE  81  -7.412  -2.019  -5.111
  197   HG13  ILE  81          HG11      ILE  81  -8.646  -0.766  -5.168
  198   HG21  ILE  81          HG21      ILE  81  -4.974  -0.207  -5.059
  199   HG22  ILE  81          HG22      ILE  81  -5.226  -1.565  -3.964
  200   HG23  ILE  81          HG23      ILE  81  -4.902   0.043  -3.315
  201   HD11  ILE  81          HD11      ILE  81  -7.644  -1.132  -7.347
  202   HD12  ILE  81          HD12      ILE  81  -6.052  -0.753  -6.691
  203   HD13  ILE  81          HD13      ILE  81  -7.299   0.494  -6.758
  204    H    HIS  82           HN       HIS  82  -5.687  -1.666  -1.282
  205    HA   HIS  82           HA       HIS  82  -6.020  -4.374  -2.036
  206    HB2  HIS  82           HB2      HIS  82  -4.472  -2.935   0.043
  207    HB3  HIS  82           HB1      HIS  82  -4.824  -4.633   0.377
  208    HD1  HIS  82           HD1      HIS  82  -3.977  -6.354  -1.595
  209    HD2  HIS  82           HD2      HIS  82  -2.349  -2.517  -1.568
  210    HE1  HIS  82           HE1      HIS  82  -1.839  -6.436  -2.999
  211    H    SER  83           HN       SER  83  -7.120  -2.555   0.799
  212    HA   SER  83           HA       SER  83  -8.599  -4.848   1.767
  213    HB2  SER  83           HB2      SER  83  -8.469  -2.018   2.837
  214    HB3  SER  83           HB1      SER  83  -9.164  -3.409   3.669
  215    HG   SER  83           HG       SER  83  -6.630  -2.597   3.657
  216    H    GLY  84           HN       GLY  84  -9.149  -2.305  -0.383
  217    HA2  GLY  84           HA2      GLY  84 -11.089  -1.965  -1.651
  218    HA3  GLY  84           HA1      GLY  84 -11.993  -2.924  -0.486
  219    H    GLU  85           HN       GLU  85 -10.382  -1.049   1.473
  220    HA   GLU  85           HA       GLU  85 -11.879   1.409   1.214
  221    HB2  GLU  85           HB2      GLU  85 -12.790  -0.713   2.838
  222    HB3  GLU  85           HB1      GLU  85 -12.108   0.502   3.913
  223    HG2  GLU  85           HG2      GLU  85 -14.136   1.084   1.787
  224    HG3  GLU  85           HG1      GLU  85 -14.550   0.730   3.464
  225    H    LYS  86           HN       LYS  86 -11.232   2.959   2.910
  226    HA   LYS  86           HA       LYS  86  -8.419   2.771   3.571
  227    HB2  LYS  86           HB2      LYS  86  -9.260   4.921   2.844
  228    HB3  LYS  86           HB1      LYS  86 -10.497   4.907   4.091
  229    HG2  LYS  86           HG2      LYS  86  -8.691   4.969   5.798
  230    HG3  LYS  86           HG1      LYS  86  -7.526   5.156   4.486
  231    HD2  LYS  86           HD2      LYS  86  -8.554   7.223   3.805
  232    HD3  LYS  86           HD1      LYS  86  -9.848   7.012   4.985
  233    HE2  LYS  86           HE2      LYS  86  -8.226   7.172   6.801
  234    HE3  LYS  86           HE1      LYS  86  -6.923   7.364   5.628
  235    HZ1  LYS  86           HZ1      LYS  86  -9.186   9.235   6.082
  236    HZ2  LYS  86           HZ2      LYS  86  -8.041   9.394   4.841
  237    HZ3  LYS  86           HZ3      LYS  86  -7.553   9.504   6.462
  Start of MODEL   19
    1    H1   GLY  58           HT1      GLY  58   8.035   6.459   5.114
    2    H2   GLY  58           HT2      GLY  58   9.142   7.740   5.094
    3    H3   GLY  58           HT3      GLY  58   9.698   6.141   5.195
    4    HA2  GLY  58           HA1      GLY  58   8.255   7.314   2.881
    5    HA3  GLY  58           HA2      GLY  58   9.997   7.057   2.962
    6    HA   PRO  59           HA       PRO  59   9.674   2.990   1.239
    7    HB2  PRO  59           HB2      PRO  59  11.153   2.145   3.698
    8    HB3  PRO  59           HB1      PRO  59  11.462   1.733   2.006
    9    HG2  PRO  59           HG2      PRO  59  12.945   3.560   3.243
   10    HG3  PRO  59           HG1      PRO  59  12.458   3.776   1.553
   11    HD2  PRO  59           HD2      PRO  59  11.456   5.132   3.999
   12    HD3  PRO  59           HD1      PRO  59  11.573   5.741   2.336
   13    H    LEU  60           HN       LEU  60   7.733   2.085   1.323
   14    HA   LEU  60           HA       LEU  60   6.876   0.916   3.855
   15    HB2  LEU  60           HB2      LEU  60   5.189   2.479   1.933
   16    HB3  LEU  60           HB1      LEU  60   4.501   1.420   3.155
   17    HG   LEU  60           HG       LEU  60   6.192   3.868   3.676
   18   HD11  LEU  60          HD11      LEU  60   3.926   4.354   2.896
   19   HD12  LEU  60          HD12      LEU  60   4.146   4.802   4.589
   20   HD13  LEU  60          HD13      LEU  60   3.270   3.328   4.171
   21   HD21  LEU  60          HD21      LEU  60   6.607   2.163   5.355
   22   HD22  LEU  60          HD22      LEU  60   4.872   1.945   5.590
   23   HD23  LEU  60          HD23      LEU  60   5.638   3.470   6.038
   24    H    LYS  61           HN       LYS  61   6.442  -1.124   3.803
   25    HA   LYS  61           HA       LYS  61   6.726  -2.522   1.301
   26    HB2  LYS  61           HB2      LYS  61   7.617  -3.099   3.723
   27    HB3  LYS  61           HB1      LYS  61   6.048  -3.870   3.883
   28    HG2  LYS  61           HG2      LYS  61   7.611  -5.527   3.221
   29    HG3  LYS  61           HG1      LYS  61   6.573  -5.192   1.832
   30    HD2  LYS  61           HD2      LYS  61   8.258  -3.881   0.786
   31    HD3  LYS  61           HD1      LYS  61   9.250  -3.876   2.246
   32    HE2  LYS  61           HE2      LYS  61   8.602  -6.276   0.540
   33    HE3  LYS  61           HE1      LYS  61  10.143  -5.421   0.590
   34    HZ1  LYS  61           HZ1      LYS  61   8.886  -7.017   2.747
   35    HZ2  LYS  61           HZ2      LYS  61  10.210  -5.991   3.011
   36    HZ3  LYS  61           HZ3      LYS  61  10.359  -7.311   1.959
   37    H    CYS  62           HN       CYS  62   5.107  -3.285   0.077
   38    HA   CYS  62           HA       CYS  62   2.391  -3.199   1.097
   39    HB2  CYS  62           HB2      CYS  62   2.797  -2.519  -1.265
   40    HB3  CYS  62           HB1      CYS  62   3.391  -4.145  -1.629
   41    H    ARG  63           HN       ARG  63   2.153  -4.815   2.583
   42    HA   ARG  63           HA       ARG  63   3.534  -7.245   2.546
   43    HB2  ARG  63           HB2      ARG  63   0.899  -6.613   3.883
   44    HB3  ARG  63           HB1      ARG  63   1.908  -8.007   4.236
   45    HG2  ARG  63           HG2      ARG  63   3.735  -6.373   4.852
   46    HG3  ARG  63           HG1      ARG  63   2.503  -5.111   4.771
   47    HD2  ARG  63           HD2      ARG  63   2.759  -5.868   7.054
   48    HD3  ARG  63           HD1      ARG  63   1.174  -6.338   6.443
   49    HE   ARG  63           HE       ARG  63   2.673  -8.525   5.932
   50   HH11  ARG  63          HH11      ARG  63   2.142  -6.629   8.840
   51   HH12  ARG  63          HH12      ARG  63   2.464  -7.962   9.913
   52   HH21  ARG  63          HH21      ARG  63   3.076 -10.256   7.319
   53   HH22  ARG  63          HH22      ARG  63   2.991 -10.040   9.044
   54    H    GLU  64           HN       GLU  64   0.691  -6.281   0.850
   55    HA   GLU  64           HA       GLU  64  -0.197  -8.985   0.358
   56    HB2  GLU  64           HB2      GLU  64  -1.159  -6.363  -0.805
   57    HB3  GLU  64           HB1      GLU  64  -1.950  -7.929  -1.008
   58    HG2  GLU  64           HG2      GLU  64  -1.577  -6.419   1.573
   59    HG3  GLU  64           HG1      GLU  64  -3.083  -6.636   0.681
   60    H    CYS  65           HN       CYS  65   1.919  -6.717  -1.151
   61    HA   CYS  65           HA       CYS  65   1.937  -8.325  -3.622
   62    HB2  CYS  65           HB2      CYS  65   2.788  -5.520  -3.006
   63    HB3  CYS  65           HB1      CYS  65   3.376  -6.342  -4.455
   64    H    GLY  66           HN       GLY  66   4.049  -6.932  -1.144
   65    HA2  GLY  66           HA2      GLY  66   5.900  -8.212  -0.282
   66    HA3  GLY  66           HA1      GLY  66   6.057  -8.967  -1.866
   67    H    LYS  67           HN       LYS  67   5.442  -5.883  -2.552
   68    HA   LYS  67           HA       LYS  67   8.268  -5.193  -2.652
   69    HB2  LYS  67           HB2      LYS  67   7.449  -3.544  -4.466
   70    HB3  LYS  67           HB1      LYS  67   7.595  -5.253  -4.870
   71    HG2  LYS  67           HG2      LYS  67   5.580  -4.775  -5.806
   72    HG3  LYS  67           HG1      LYS  67   5.053  -5.285  -4.205
   73    HD2  LYS  67           HD2      LYS  67   4.701  -3.057  -3.506
   74    HD3  LYS  67           HD1      LYS  67   5.592  -2.406  -4.885
   75    HE2  LYS  67           HE2      LYS  67   2.932  -3.832  -4.956
   76    HE3  LYS  67           HE1      LYS  67   3.218  -2.114  -5.243
   77    HZ1  LYS  67           HZ1      LYS  67   4.592  -2.754  -7.177
   78    HZ2  LYS  67           HZ2      LYS  67   2.971  -3.228  -7.335
   79    HZ3  LYS  67           HZ3      LYS  67   4.154  -4.378  -6.934
   80    H    GLN  68           HN       GLN  68   8.014  -2.491  -3.093
   81    HA   GLN  68           HA       GLN  68   7.100  -1.552  -0.478
   82    HB2  GLN  68           HB2      GLN  68   9.410  -2.650  -0.366
   83    HB3  GLN  68           HB1      GLN  68   9.984  -1.293  -1.331
   84    HG2  GLN  68           HG2      GLN  68   9.344   0.252   0.413
   85    HG3  GLN  68           HG1      GLN  68   8.665  -1.068   1.366
   86   HE21  GLN  68          HE21      GLN  68  10.029  -0.759   3.112
   87   HE22  GLN  68          HE22      GLN  68  11.734  -1.112   3.035
   88    H    PHE  69           HN       PHE  69   7.021   0.710  -0.274
   89    HA   PHE  69           HA       PHE  69   7.322   2.157  -2.844
   90    HB2  PHE  69           HB2      PHE  69   5.224   2.375  -0.694
   91    HB3  PHE  69           HB1      PHE  69   5.512   3.687  -1.842
   92    HD1  PHE  69           HD1      PHE  69   4.506   0.141  -1.551
   93    HD2  PHE  69           HD2      PHE  69   4.692   3.589  -4.032
   94    HE1  PHE  69           HE1      PHE  69   3.062  -0.972  -3.203
   95    HE2  PHE  69           HE2      PHE  69   3.249   2.483  -5.686
   96    HZ   PHE  69           HZ       PHE  69   2.434   0.200  -5.273
   97    H    THR  70           HN       THR  70   7.251   4.675  -2.259
   98    HA   THR  70           HA       THR  70   9.149   5.111  -0.063
   99    HB   THR  70           HB       THR  70  10.234   6.845  -1.555
  100    HG1  THR  70           HG1      THR  70   9.178   5.425  -3.752
  101   HG21  THR  70          HG21      THR  70  11.265   4.665  -1.130
  102   HG22  THR  70          HG22      THR  70  11.578   5.206  -2.780
  103   HG23  THR  70          HG23      THR  70  10.352   3.974  -2.470
  104    H    THR  71           HN       THR  71   6.174   5.575  -0.591
  105    HA   THR  71           HA       THR  71   6.123   8.318   0.406
  106    HB   THR  71           HB       THR  71   4.273   7.385  -1.804
  107    HG1  THR  71           HG1      THR  71   6.341   9.318  -2.079
  108   HG21  THR  71          HG21      THR  71   3.620   9.725  -1.938
  109   HG22  THR  71          HG22      THR  71   4.757  10.137  -0.654
  110   HG23  THR  71          HG23      THR  71   3.362   9.118  -0.302
  111    H    SER  72           HN       SER  72   4.758   8.524   2.063
  112    HA   SER  72           HA       SER  72   3.605   6.233   3.232
  113    HB2  SER  72           HB2      SER  72   3.092   9.121   3.962
  114    HB3  SER  72           HB1      SER  72   2.945   7.711   5.014
  115    HG   SER  72           HG       SER  72   4.920   8.553   5.472
  116    H    GLY  73           HN       GLY  73   2.196   9.031   1.567
  117    HA2  GLY  73           HA2      GLY  73  -0.505   8.139   1.903
  118    HA3  GLY  73           HA1      GLY  73   0.047   9.379   0.784
  119    H    ASN  74           HN       ASN  74   1.933   7.704  -0.560
  120    HA   ASN  74           HA       ASN  74   0.359   6.678  -2.624
  121    HB2  ASN  74           HB2      ASN  74   2.821   7.339  -2.712
  122    HB3  ASN  74           HB1      ASN  74   3.181   5.781  -1.983
  123   HD21  ASN  74          HD21      ASN  74   3.960   6.878  -4.555
  124   HD22  ASN  74          HD22      ASN  74   3.403   5.754  -5.748
  125    H    LEU  75           HN       LEU  75   2.075   4.988  -0.011
  126    HA   LEU  75           HA       LEU  75   1.193   2.409  -0.892
  127    HB2  LEU  75           HB2      LEU  75   3.345   2.921   0.342
  128    HB3  LEU  75           HB1      LEU  75   2.362   3.129   1.784
  129    HG   LEU  75           HG       LEU  75   3.607   0.847   1.203
  130   HD11  LEU  75          HD11      LEU  75   2.066  -0.257   2.724
  131   HD12  LEU  75          HD12      LEU  75   0.892   1.039   2.491
  132   HD13  LEU  75          HD13      LEU  75   2.436   1.379   3.272
  133   HD21  LEU  75          HD21      LEU  75   0.862   0.511   0.004
  134   HD22  LEU  75          HD22      LEU  75   2.016  -0.784   0.325
  135   HD23  LEU  75          HD23      LEU  75   2.392   0.454  -0.873
  136    H    LYS  76           HN       LYS  76   0.045   4.756   1.484
  137    HA   LYS  76           HA       LYS  76  -1.628   2.900   2.835
  138    HB2  LYS  76           HB2      LYS  76  -0.857   5.200   3.671
  139    HB3  LYS  76           HB1      LYS  76  -2.175   5.850   2.705
  140    HG2  LYS  76           HG2      LYS  76  -3.073   5.643   4.848
  141    HG3  LYS  76           HG1      LYS  76  -3.679   4.230   3.981
  142    HD2  LYS  76           HD2      LYS  76  -1.113   3.926   5.430
  143    HD3  LYS  76           HD1      LYS  76  -2.568   4.081   6.412
  144    HE2  LYS  76           HE2      LYS  76  -2.512   2.133   4.146
  145    HE3  LYS  76           HE1      LYS  76  -1.717   1.724   5.661
  146    HZ1  LYS  76           HZ1      LYS  76  -3.878   0.885   5.827
  147    HZ2  LYS  76           HZ2      LYS  76  -4.592   2.275   5.179
  148    HZ3  LYS  76           HZ3      LYS  76  -3.914   2.313   6.739
  149    H    ARG  77           HN       ARG  77  -2.227   5.308   0.296
  150    HA   ARG  77           HA       ARG  77  -4.932   4.665  -0.173
  151    HB2  ARG  77           HB2      ARG  77  -3.817   6.681  -1.067
  152    HB3  ARG  77           HB1      ARG  77  -2.834   5.672  -2.116
  153    HG2  ARG  77           HG2      ARG  77  -4.658   6.704  -3.338
  154    HG3  ARG  77           HG1      ARG  77  -4.830   4.950  -3.308
  155    HD2  ARG  77           HD2      ARG  77  -6.974   5.999  -2.926
  156    HD3  ARG  77           HD1      ARG  77  -6.445   5.152  -1.475
  157    HE   ARG  77           HE       ARG  77  -5.605   7.602  -0.908
  158   HH11  ARG  77          HH11      ARG  77  -8.616   6.564  -2.377
  159   HH12  ARG  77          HH12      ARG  77  -9.558   7.844  -1.669
  160   HH21  ARG  77          HH21      ARG  77  -6.852   9.312   0.023
  161   HH22  ARG  77          HH22      ARG  77  -8.563   9.395  -0.308
  162    H    HIS  78           HN       HIS  78  -1.928   3.307  -1.218
  163    HA   HIS  78           HA       HIS  78  -2.831   1.530  -3.196
  164    HB2  HIS  78           HB2      HIS  78  -0.481   2.246  -2.838
  165    HB3  HIS  78           HB1      HIS  78  -0.449   1.319  -1.338
  166    HD1  HIS  78           HD1      HIS  78  -0.545   0.843  -5.080
  167    HD2  HIS  78           HD2      HIS  78   0.112  -1.320  -1.594
  168    HE1  HIS  78           HE1      HIS  78   0.420  -1.371  -5.801
  169    H    LEU  79           HN       LEU  79  -2.479   1.225   0.310
  170    HA   LEU  79           HA       LEU  79  -3.234  -1.551   0.277
  171    HB2  LEU  79           HB2      LEU  79  -2.783   0.385   2.538
  172    HB3  LEU  79           HB1      LEU  79  -3.234  -1.301   2.774
  173    HG   LEU  79           HG       LEU  79  -0.683  -0.276   1.506
  174   HD11  LEU  79          HD11      LEU  79  -1.223  -1.807   4.056
  175   HD12  LEU  79          HD12      LEU  79  -0.744  -0.114   3.938
  176   HD13  LEU  79          HD13      LEU  79   0.368  -1.382   3.427
  177   HD21  LEU  79          HD21      LEU  79  -1.448  -2.278   0.349
  178   HD22  LEU  79          HD22      LEU  79  -1.642  -3.114   1.889
  179   HD23  LEU  79          HD23      LEU  79  -0.035  -2.632   1.343
  180    H    ARG  80           HN       ARG  80  -4.884   1.485   0.650
  181    HA   ARG  80           HA       ARG  80  -7.294   0.543   1.789
  182    HB2  ARG  80           HB2      ARG  80  -6.824   2.942   1.537
  183    HB3  ARG  80           HB1      ARG  80  -6.873   2.787  -0.217
  184    HG2  ARG  80           HG2      ARG  80  -9.215   2.207  -0.141
  185    HG3  ARG  80           HG1      ARG  80  -9.187   2.213   1.622
  186    HD2  ARG  80           HD2      ARG  80  -8.721   4.596   1.630
  187    HD3  ARG  80           HD1      ARG  80  -8.651   4.608  -0.133
  188    HE   ARG  80           HE       ARG  80 -11.115   3.593   0.408
  189   HH11  ARG  80          HH11      ARG  80  -9.452   6.536   1.369
  190   HH12  ARG  80          HH12      ARG  80 -10.921   7.455   1.504
  191   HH21  ARG  80          HH21      ARG  80 -13.021   4.807   0.617
  192   HH22  ARG  80          HH22      ARG  80 -12.936   6.478   1.078
  193    H    ILE  81           HN       ILE  81  -6.108   0.613  -1.564
  194    HA   ILE  81           HA       ILE  81  -8.569  -0.550  -2.542
  195    HB   ILE  81           HB       ILE  81  -7.218   1.075  -3.896
  196   HG12  ILE  81          HG12      ILE  81  -7.669  -1.625  -5.187
  197   HG13  ILE  81          HG11      ILE  81  -8.913  -0.409  -4.917
  198   HG21  ILE  81          HG21      ILE  81  -5.275   0.235  -5.127
  199   HG22  ILE  81          HG22      ILE  81  -5.351  -1.269  -4.209
  200   HG23  ILE  81          HG23      ILE  81  -4.997   0.251  -3.386
  201   HD11  ILE  81          HD11      ILE  81  -8.153  -0.394  -7.220
  202   HD12  ILE  81          HD12      ILE  81  -6.496  -0.102  -6.687
  203   HD13  ILE  81          HD13      ILE  81  -7.738   1.120  -6.414
  204    H    HIS  82           HN       HIS  82  -5.742  -1.711  -1.123
  205    HA   HIS  82           HA       HIS  82  -5.920  -4.358  -2.303
  206    HB2  HIS  82           HB2      HIS  82  -4.117  -3.020  -0.359
  207    HB3  HIS  82           HB1      HIS  82  -4.343  -4.755  -0.149
  208    HD1  HIS  82           HD1      HIS  82  -3.768  -6.216  -2.443
  209    HD2  HIS  82           HD2      HIS  82  -2.198  -2.371  -2.111
  210    HE1  HIS  82           HE1      HIS  82  -1.790  -6.083  -4.042
  211    H    SER  83           HN       SER  83  -6.624  -2.795   0.792
  212    HA   SER  83           HA       SER  83  -7.581  -5.283   1.927
  213    HB2  SER  83           HB2      SER  83  -7.672  -2.523   3.156
  214    HB3  SER  83           HB1      SER  83  -7.741  -4.073   3.995
  215    HG   SER  83           HG       SER  83  -5.541  -2.866   2.684
  216    H    GLY  84           HN       GLY  84  -8.875  -2.470   0.404
  217    HA2  GLY  84           HA2      GLY  84 -11.099  -2.267  -0.367
  218    HA3  GLY  84           HA1      GLY  84 -11.596  -3.467   0.823
  219    H    GLU  85           HN       GLU  85  -9.534  -1.478   2.366
  220    HA   GLU  85           HA       GLU  85 -11.413   0.608   3.052
  221    HB2  GLU  85           HB2      GLU  85 -11.003   0.019   5.517
  222    HB3  GLU  85           HB1      GLU  85 -12.252  -0.855   4.637
  223    HG2  GLU  85           HG2      GLU  85 -10.628  -2.696   4.293
  224    HG3  GLU  85           HG1      GLU  85  -9.473  -1.812   5.294
  225    H    LYS  86           HN       LYS  86 -10.406   1.773   5.092
  226    HA   LYS  86           HA       LYS  86  -8.292   3.262   4.243
  227    HB2  LYS  86           HB2      LYS  86  -8.112   4.094   6.526
  228    HB3  LYS  86           HB1      LYS  86  -9.798   3.895   6.072
  229    HG2  LYS  86           HG2      LYS  86  -9.758   1.695   7.279
  230    HG3  LYS  86           HG1      LYS  86  -8.161   2.137   7.878
  231    HD2  LYS  86           HD2      LYS  86  -9.623   2.768   9.591
  232    HD3  LYS  86           HD1      LYS  86  -9.284   4.274   8.735
  233    HE2  LYS  86           HE2      LYS  86 -11.374   4.164   7.577
  234    HE3  LYS  86           HE1      LYS  86 -11.691   2.544   8.200
  235    HZ1  LYS  86           HZ1      LYS  86 -11.662   5.098   9.710
  236    HZ2  LYS  86           HZ2      LYS  86 -11.646   3.585  10.472
  237    HZ3  LYS  86           HZ3      LYS  86 -12.961   4.026   9.498
  Start of MODEL   20
    1    H1   GLY  58           HT1      GLY  58   8.695   5.898   5.734
    2    H2   GLY  58           HT2      GLY  58  10.102   6.741   6.161
    3    H3   GLY  58           HT3      GLY  58  10.027   5.058   6.364
    4    HA2  GLY  58           HA1      GLY  58   9.986   6.521   3.782
    5    HA3  GLY  58           HA2      GLY  58  11.345   5.599   4.425
    6    HA   PRO  59           HA       PRO  59   9.882   2.361   1.785
    7    HB2  PRO  59           HB2      PRO  59  11.126   0.291   3.152
    8    HB3  PRO  59           HB1      PRO  59  11.870   1.274   1.890
    9    HG2  PRO  59           HG2      PRO  59  12.070   1.539   4.858
   10    HG3  PRO  59           HG1      PRO  59  13.327   1.747   3.624
   11    HD2  PRO  59           HD2      PRO  59  12.175   3.863   4.769
   12    HD3  PRO  59           HD1      PRO  59  12.577   3.868   3.037
   13    H    LEU  60           HN       LEU  60   7.874   1.868   1.936
   14    HA   LEU  60           HA       LEU  60   6.870   0.367   4.254
   15    HB2  LEU  60           HB2      LEU  60   5.458   2.295   2.417
   16    HB3  LEU  60           HB1      LEU  60   4.615   1.260   3.550
   17    HG   LEU  60           HG       LEU  60   6.614   3.400   4.296
   18   HD11  LEU  60          HD11      LEU  60   4.687   4.620   5.135
   19   HD12  LEU  60          HD12      LEU  60   3.615   3.337   4.577
   20   HD13  LEU  60          HD13      LEU  60   4.514   4.306   3.408
   21   HD21  LEU  60          HD21      LEU  60   6.590   1.537   5.879
   22   HD22  LEU  60          HD22      LEU  60   4.838   1.674   6.015
   23   HD23  LEU  60          HD23      LEU  60   5.873   2.985   6.583
   24    H    LYS  61           HN       LYS  61   6.903  -1.762   3.628
   25    HA   LYS  61           HA       LYS  61   6.571  -2.429   0.842
   26    HB2  LYS  61           HB2      LYS  61   6.757  -4.233   3.257
   27    HB3  LYS  61           HB1      LYS  61   6.755  -4.783   1.591
   28    HG2  LYS  61           HG2      LYS  61   8.842  -3.516   1.218
   29    HG3  LYS  61           HG1      LYS  61   8.862  -3.111   2.936
   30    HD2  LYS  61           HD2      LYS  61   9.236  -5.773   1.612
   31    HD3  LYS  61           HD1      LYS  61  10.261  -4.970   2.801
   32    HE2  LYS  61           HE2      LYS  61   7.524  -6.120   3.323
   33    HE3  LYS  61           HE1      LYS  61   9.053  -6.875   3.757
   34    HZ1  LYS  61           HZ1      LYS  61   7.875  -5.647   5.579
   35    HZ2  LYS  61           HZ2      LYS  61   8.250  -4.205   4.769
   36    HZ3  LYS  61           HZ3      LYS  61   9.492  -5.206   5.338
   37    H    CYS  62           HN       CYS  62   4.755  -2.910  -0.164
   38    HA   CYS  62           HA       CYS  62   2.254  -3.149   1.141
   39    HB2  CYS  62           HB2      CYS  62   2.333  -2.472  -1.194
   40    HB3  CYS  62           HB1      CYS  62   3.158  -3.975  -1.637
   41    H    ARG  63           HN       ARG  63   1.810  -4.808   2.472
   42    HA   ARG  63           HA       ARG  63   3.323  -7.135   2.682
   43    HB2  ARG  63           HB2      ARG  63   1.769  -6.136   4.413
   44    HB3  ARG  63           HB1      ARG  63   0.439  -6.882   3.536
   45    HG2  ARG  63           HG2      ARG  63   1.733  -9.079   3.838
   46    HG3  ARG  63           HG1      ARG  63   2.660  -8.198   5.053
   47    HD2  ARG  63           HD2      ARG  63   0.888  -9.344   6.169
   48    HD3  ARG  63           HD1      ARG  63   0.508  -7.622   6.177
   49    HE   ARG  63           HE       ARG  63  -0.715  -8.658   3.924
   50   HH11  ARG  63          HH11      ARG  63  -0.911  -9.181   7.393
   51   HH12  ARG  63          HH12      ARG  63  -2.571  -9.705   7.337
   52   HH21  ARG  63          HH21      ARG  63  -2.862  -9.349   3.849
   53   HH22  ARG  63          HH22      ARG  63  -3.684  -9.812   5.313
   54    H    GLU  64           HN       GLU  64   0.569  -6.450   0.656
   55    HA   GLU  64           HA       GLU  64   0.003  -9.243   0.170
   56    HB2  GLU  64           HB2      GLU  64  -1.186  -6.834  -1.216
   57    HB3  GLU  64           HB1      GLU  64  -1.843  -8.470  -1.165
   58    HG2  GLU  64           HG2      GLU  64  -1.581  -6.572   1.160
   59    HG3  GLU  64           HG1      GLU  64  -3.068  -7.011   0.323
   60    H    CYS  65           HN       CYS  65   1.790  -6.685  -1.357
   61    HA   CYS  65           HA       CYS  65   2.056  -8.275  -3.817
   62    HB2  CYS  65           HB2      CYS  65   2.629  -5.390  -3.194
   63    HB3  CYS  65           HB1      CYS  65   3.126  -6.151  -4.712
   64    H    GLY  66           HN       GLY  66   3.943  -6.688  -1.275
   65    HA2  GLY  66           HA2      GLY  66   5.935  -7.675  -0.403
   66    HA3  GLY  66           HA1      GLY  66   6.210  -8.438  -1.967
   67    H    LYS  67           HN       LYS  67   5.251  -5.393  -2.653
   68    HA   LYS  67           HA       LYS  67   8.014  -4.486  -2.768
   69    HB2  LYS  67           HB2      LYS  67   7.167  -2.977  -4.650
   70    HB3  LYS  67           HB1      LYS  67   7.368  -4.693  -4.988
   71    HG2  LYS  67           HG2      LYS  67   5.366  -4.233  -6.001
   72    HG3  LYS  67           HG1      LYS  67   4.840  -4.835  -4.430
   73    HD2  LYS  67           HD2      LYS  67   4.209  -2.741  -3.689
   74    HD3  LYS  67           HD1      LYS  67   5.273  -1.905  -4.825
   75    HE2  LYS  67           HE2      LYS  67   2.802  -3.456  -5.577
   76    HE3  LYS  67           HE1      LYS  67   2.879  -1.701  -5.407
   77    HZ1  LYS  67           HZ1      LYS  67   4.469  -3.308  -7.343
   78    HZ2  LYS  67           HZ2      LYS  67   4.490  -1.619  -7.192
   79    HZ3  LYS  67           HZ3      LYS  67   3.084  -2.404  -7.719
   80    H    GLN  68           HN       GLN  68   8.578  -2.783  -1.872
   81    HA   GLN  68           HA       GLN  68   6.862  -1.424  -0.030
   82    HB2  GLN  68           HB2      GLN  68   8.972  -0.269   0.658
   83    HB3  GLN  68           HB1      GLN  68   9.040  -2.032   0.737
   84    HG2  GLN  68           HG2      GLN  68  10.237  -2.085  -1.380
   85    HG3  GLN  68           HG1      GLN  68  10.168  -0.325  -1.474
   86   HE21  GLN  68          HE21      GLN  68  10.675  -2.035   1.523
   87   HE22  GLN  68          HE22      GLN  68  12.341  -1.582   1.730
   88    H    PHE  69           HN       PHE  69   6.820   0.852   0.266
   89    HA   PHE  69           HA       PHE  69   7.239   2.480  -2.163
   90    HB2  PHE  69           HB2      PHE  69   4.843   2.267  -0.363
   91    HB3  PHE  69           HB1      PHE  69   5.191   3.793  -1.176
   92    HD1  PHE  69           HD1      PHE  69   4.325   0.254  -1.667
   93    HD2  PHE  69           HD2      PHE  69   4.767   4.065  -3.503
   94    HE1  PHE  69           HE1      PHE  69   3.197  -0.592  -3.682
   95    HE2  PHE  69           HE2      PHE  69   3.642   3.228  -5.522
   96    HZ   PHE  69           HZ       PHE  69   2.771   0.944  -5.585
   97    H    THR  70           HN       THR  70   8.407   4.317  -1.763
   98    HA   THR  70           HA       THR  70   9.220   4.825   0.969
   99    HB   THR  70           HB       THR  70  10.855   4.973  -0.887
  100    HG1  THR  70           HG1      THR  70  10.328   7.150   0.826
  101   HG21  THR  70          HG21      THR  70   9.410   5.946  -2.605
  102   HG22  THR  70          HG22      THR  70  10.849   6.936  -2.357
  103   HG23  THR  70          HG23      THR  70   9.301   7.441  -1.677
  104    H    THR  71           HN       THR  71   6.598   5.720  -0.821
  105    HA   THR  71           HA       THR  71   6.297   8.264   0.635
  106    HB   THR  71           HB       THR  71   4.853   7.443  -1.894
  107    HG1  THR  71           HG1      THR  71   7.164   9.082  -1.513
  108   HG21  THR  71          HG21      THR  71   5.121  10.116  -0.506
  109   HG22  THR  71          HG22      THR  71   3.678   9.103  -0.525
  110   HG23  THR  71          HG23      THR  71   4.269   9.820  -2.023
  111    H    SER  72           HN       SER  72   4.705   8.425   2.041
  112    HA   SER  72           HA       SER  72   3.347   6.133   2.939
  113    HB2  SER  72           HB2      SER  72   2.139   7.919   4.381
  114    HB3  SER  72           HB1      SER  72   3.884   7.717   4.575
  115    HG   SER  72           HG       SER  72   2.825   9.947   4.186
  116    H    GLY  73           HN       GLY  73   2.127   9.086   1.328
  117    HA2  GLY  73           HA2      GLY  73  -0.576   8.347   1.277
  118    HA3  GLY  73           HA1      GLY  73   0.186   9.464   0.154
  119    H    ASN  74           HN       ASN  74   2.059   7.421  -0.810
  120    HA   ASN  74           HA       ASN  74   0.474   6.293  -2.873
  121    HB2  ASN  74           HB2      ASN  74   3.346   6.086  -2.063
  122    HB3  ASN  74           HB1      ASN  74   2.698   4.909  -3.199
  123   HD21  ASN  74          HD21      ASN  74   2.200   5.531  -5.252
  124   HD22  ASN  74          HD22      ASN  74   2.609   7.080  -5.907
  125    H    LEU  75           HN       LEU  75   2.218   4.809  -0.133
  126    HA   LEU  75           HA       LEU  75   1.293   2.190  -0.740
  127    HB2  LEU  75           HB2      LEU  75   3.377   2.933   0.601
  128    HB3  LEU  75           HB1      LEU  75   2.263   3.074   1.952
  129    HG   LEU  75           HG       LEU  75   3.697   0.893   1.545
  130   HD11  LEU  75          HD11      LEU  75   2.041  -0.340   2.842
  131   HD12  LEU  75          HD12      LEU  75   0.831   0.886   2.468
  132   HD13  LEU  75          HD13      LEU  75   2.240   1.306   3.444
  133   HD21  LEU  75          HD21      LEU  75   2.814   0.421  -0.672
  134   HD22  LEU  75          HD22      LEU  75   1.176   0.358  -0.020
  135   HD23  LEU  75          HD23      LEU  75   2.365  -0.850   0.466
  136    H    LYS  76           HN       LYS  76   0.091   4.770   1.339
  137    HA   LYS  76           HA       LYS  76  -1.723   3.140   2.780
  138    HB2  LYS  76           HB2      LYS  76  -1.678   6.109   2.285
  139    HB3  LYS  76           HB1      LYS  76  -2.921   5.330   3.251
  140    HG2  LYS  76           HG2      LYS  76   0.026   5.471   3.817
  141    HG3  LYS  76           HG1      LYS  76  -1.294   6.183   4.745
  142    HD2  LYS  76           HD2      LYS  76  -0.536   3.281   4.495
  143    HD3  LYS  76           HD1      LYS  76  -0.605   4.271   5.951
  144    HE2  LYS  76           HE2      LYS  76  -3.096   4.479   5.532
  145    HE3  LYS  76           HE1      LYS  76  -2.896   3.224   4.306
  146    HZ1  LYS  76           HZ1      LYS  76  -1.871   1.844   6.133
  147    HZ2  LYS  76           HZ2      LYS  76  -3.539   2.123   6.252
  148    HZ3  LYS  76           HZ3      LYS  76  -2.461   3.003   7.227
  149    H    ARG  77           HN       ARG  77  -2.283   5.324  -0.006
  150    HA   ARG  77           HA       ARG  77  -4.963   4.491  -0.404
  151    HB2  ARG  77           HB2      ARG  77  -3.917   6.545  -1.405
  152    HB3  ARG  77           HB1      ARG  77  -3.045   5.499  -2.518
  153    HG2  ARG  77           HG2      ARG  77  -5.165   4.701  -3.434
  154    HG3  ARG  77           HG1      ARG  77  -6.043   5.747  -2.313
  155    HD2  ARG  77           HD2      ARG  77  -4.950   7.707  -3.331
  156    HD3  ARG  77           HD1      ARG  77  -4.137   6.640  -4.475
  157    HE   ARG  77           HE       ARG  77  -6.991   6.357  -4.490
  158   HH11  ARG  77          HH11      ARG  77  -4.290   8.158  -5.808
  159   HH12  ARG  77          HH12      ARG  77  -5.177   8.711  -7.199
  160   HH21  ARG  77          HH21      ARG  77  -8.142   7.052  -6.325
  161   HH22  ARG  77          HH22      ARG  77  -7.359   8.065  -7.503
  162    H    HIS  78           HN       HIS  78  -1.895   3.212  -1.328
  163    HA   HIS  78           HA       HIS  78  -2.681   1.317  -3.249
  164    HB2  HIS  78           HB2      HIS  78  -0.355   2.091  -2.796
  165    HB3  HIS  78           HB1      HIS  78  -0.384   1.197  -1.278
  166    HD1  HIS  78           HD1      HIS  78  -0.191   0.678  -5.007
  167    HD2  HIS  78           HD2      HIS  78   0.103  -1.470  -1.457
  168    HE1  HIS  78           HE1      HIS  78   0.813  -1.555  -5.616
  169    H    LEU  79           HN       LEU  79  -2.214   1.019   0.298
  170    HA   LEU  79           HA       LEU  79  -3.174  -1.703   0.267
  171    HB2  LEU  79           HB2      LEU  79  -2.509   0.168   2.534
  172    HB3  LEU  79           HB1      LEU  79  -3.053  -1.490   2.766
  173    HG   LEU  79           HG       LEU  79  -0.490  -0.550   1.486
  174   HD11  LEU  79          HD11      LEU  79  -0.493  -0.615   3.917
  175   HD12  LEU  79          HD12      LEU  79   0.524  -1.901   3.267
  176   HD13  LEU  79          HD13      LEU  79  -1.081  -2.279   3.890
  177   HD21  LEU  79          HD21      LEU  79  -1.373  -2.389   0.153
  178   HD22  LEU  79          HD22      LEU  79  -1.601  -3.359   1.610
  179   HD23  LEU  79          HD23      LEU  79   0.026  -2.914   1.091
  180    H    ARG  80           HN       ARG  80  -4.558   1.407   0.573
  181    HA   ARG  80           HA       ARG  80  -6.939   0.850   1.904
  182    HB2  ARG  80           HB2      ARG  80  -6.383   3.108   1.405
  183    HB3  ARG  80           HB1      ARG  80  -6.262   2.776  -0.314
  184    HG2  ARG  80           HG2      ARG  80  -8.660   2.465  -0.453
  185    HG3  ARG  80           HG1      ARG  80  -8.808   2.710   1.291
  186    HD2  ARG  80           HD2      ARG  80  -8.181   4.966   1.137
  187    HD3  ARG  80           HD1      ARG  80  -7.544   4.763  -0.493
  188    HE   ARG  80           HE       ARG  80 -10.246   4.167  -0.612
  189   HH11  ARG  80          HH11      ARG  80  -8.274   6.934   0.254
  190   HH12  ARG  80          HH12      ARG  80  -9.399   8.092  -0.401
  191   HH21  ARG  80          HH21      ARG  80 -11.708   5.672  -1.482
  192   HH22  ARG  80          HH22      ARG  80 -11.363   7.375  -1.379
  193    H    ILE  81           HN       ILE  81  -6.195   0.614  -1.580
  194    HA   ILE  81           HA       ILE  81  -8.750  -0.505  -2.202
  195    HB   ILE  81           HB       ILE  81  -7.434   0.703  -3.902
  196   HG12  ILE  81          HG12      ILE  81  -7.985  -2.185  -4.628
  197   HG13  ILE  81          HG11      ILE  81  -9.180  -0.892  -4.586
  198   HG21  ILE  81          HG21      ILE  81  -5.208  -0.018  -3.335
  199   HG22  ILE  81          HG22      ILE  81  -5.550  -0.424  -5.016
  200   HG23  ILE  81          HG23      ILE  81  -5.597  -1.679  -3.780
  201   HD11  ILE  81          HD11      ILE  81  -6.792  -1.017  -6.414
  202   HD12  ILE  81          HD12      ILE  81  -8.014   0.254  -6.385
  203   HD13  ILE  81          HD13      ILE  81  -8.460  -1.386  -6.858
  204    H    HIS  82           HN       HIS  82  -5.627  -1.829  -1.296
  205    HA   HIS  82           HA       HIS  82  -6.170  -4.540  -1.874
  206    HB2  HIS  82           HB2      HIS  82  -4.283  -3.126  -0.040
  207    HB3  HIS  82           HB1      HIS  82  -4.528  -4.858   0.186
  208    HD1  HIS  82           HD1      HIS  82  -3.957  -6.369  -2.022
  209    HD2  HIS  82           HD2      HIS  82  -2.488  -2.472  -1.935
  210    HE1  HIS  82           HE1      HIS  82  -2.026  -6.264  -3.687
  211    H    SER  83           HN       SER  83  -6.805  -2.547   0.963
  212    HA   SER  83           HA       SER  83  -7.904  -4.680   2.510
  213    HB2  SER  83           HB2      SER  83  -6.876  -2.568   3.441
  214    HB3  SER  83           HB1      SER  83  -8.324  -1.711   2.919
  215    HG   SER  83           HG       SER  83  -9.530  -2.803   4.386
  216    H    GLY  84           HN       GLY  84  -9.062  -2.871  -0.079
  217    HA2  GLY  84           HA2      GLY  84 -11.063  -3.249  -1.205
  218    HA3  GLY  84           HA1      GLY  84 -11.679  -4.082   0.212
  219    H    GLU  85           HN       GLU  85 -10.251  -0.948   0.597
  220    HA   GLU  85           HA       GLU  85 -12.763   0.085   1.542
  221    HB2  GLU  85           HB2      GLU  85 -10.721   0.607   2.754
  222    HB3  GLU  85           HB1      GLU  85 -10.018   1.335   1.316
  223    HG2  GLU  85           HG2      GLU  85 -10.765   3.053   2.814
  224    HG3  GLU  85           HG1      GLU  85 -11.755   3.049   1.356
  225    H    LYS  86           HN       LYS  86 -14.055   0.188  -0.252
  226    HA   LYS  86           HA       LYS  86 -13.221   1.800  -2.536
  227    HB2  LYS  86           HB2      LYS  86 -14.301  -0.384  -2.935
  228    HB3  LYS  86           HB1      LYS  86 -15.730   0.170  -2.076
  229    HG2  LYS  86           HG2      LYS  86 -16.109   0.276  -4.450
  230    HG3  LYS  86           HG1      LYS  86 -16.053   1.910  -3.788
  231    HD2  LYS  86           HD2      LYS  86 -13.833   2.242  -4.623
  232    HD3  LYS  86           HD1      LYS  86 -13.701   0.545  -5.093
  233    HE2  LYS  86           HE2      LYS  86 -15.512   0.873  -6.719
  234    HE3  LYS  86           HE1      LYS  86 -15.607   2.572  -6.258
  235    HZ1  LYS  86           HZ1      LYS  86 -14.278   2.005  -8.319
  236    HZ2  LYS  86           HZ2      LYS  86 -13.096   1.373  -7.278
  237    HZ3  LYS  86           HZ3      LYS  86 -13.522   3.011  -7.186