*HEADER    FORMIN BINDING PROTEIN                  30-NOV-07   2JXW              
*TITLE     SOLUTION STRUCTURE OF THE TANDEM WW DOMAINS OF FBP21                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: WW DOMAIN-BINDING PROTEIN 4;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: WW DOMIAN;                                                 
*COMPND   5 SYNONYM: WBP-4, WW DOMAIN-CONTAINING-BINDING PROTEIN 4,              
*COMPND   6 FORMIN-BINDING PROTEIN 21, FBP21;                                    
*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: WBP4, FBP21, FNBP21;                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET22B                                     
*KEYWDS    WW DOMAIN CONTAINING PROTEIN, WW DOMAIN, FBP21, WBP4, METAL-          
*KEYWDS   2 BINDING, MRNA PROCESSING, MRNA SPLICING, NUCLEUS,                    
*KEYWDS   3 POLYMORPHISM, SPLICEOSOME, ZINC, ZINC-FINGER, FORMIN                 
*KEYWDS   4 BINDING PROTEIN                                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    X.HUANG, J.ZHANG, J.WU, Y.SHI                                         
*REVDAT   1   02-DEC-08 2JXW    0                                                

!1460 restraints
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assign (resid  8 and name ha  ) (resid  8 and name hn  ) 1.80 0.00 1.70
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assign (resid  8 and name ha  ) (resid 35 and name he# ) 1.80 0.00 1.70
assign (resid  8 and name ha  ) (resid 35 and name hz  ) 1.80 0.00 2.70
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assign (resid  8 and name hn  ) (resid 35 and name he# ) 1.80 0.00 2.70
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assign (resid 69 and name hg# ) (resid 70 and name hn  ) 1.80 0.00 1.20
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assign (resid 69 and name hg2 ) (resid 70 and name hn  ) 1.80 0.00 2.20
assign (resid 69 and name hg# ) (resid 71 and name hn  ) 1.80 0.00 1.20
assign (resid 69 and name hg1 ) (resid 71 and name hn  ) 1.80 0.00 1.70
assign (resid 69 and name hg2 ) (resid 71 and name hn  ) 1.80 0.00 1.70
assign (resid 69 and name hd# ) (resid 70 and name hn  ) 1.80 0.00 3.70
assign (resid 69 and name hd# ) (resid 71 and name hn  ) 1.80 0.00 4.20
assign (resid 69 and name hn  ) (resid 70 and name hn  ) 1.80 0.00 3.00
assign (resid 70 and name ha  ) (resid 70 and name hd1 ) 1.80 0.00 3.70
assign (resid 70 and name ha  ) (resid 70 and name he3 ) 1.80 0.00 2.20
assign (resid 70 and name ha  ) (resid 70 and name hz3 ) 1.80 0.00 4.20
assign (resid 70 and name ha  ) (resid 70 and name hn  ) 1.80 0.00 1.70
assign (resid 70 and name ha  ) (resid 71 and name hn  ) 1.80 0.00 2.20
assign (resid 70 and name hb# ) (resid 70 and name hd1 ) 1.80 0.00 1.20
assign (resid 70 and name hb1 ) (resid 70 and name hd1 ) 1.80 0.00 2.20
assign (resid 70 and name hb2 ) (resid 70 and name hd1 ) 1.80 0.00 2.20
assign (resid 70 and name hb# ) (resid 70 and name he3 ) 1.80 0.00 1.20
assign (resid 70 and name hb1 ) (resid 70 and name he3 ) 1.80 0.00 2.70
assign (resid 70 and name hb2 ) (resid 70 and name he3 ) 1.80 0.00 2.70
assign (resid 70 and name hb# ) (resid 70 and name hn  ) 1.80 0.00 1.20
assign (resid 70 and name hb1 ) (resid 70 and name hn  ) 1.80 0.00 2.20
assign (resid 70 and name hb2 ) (resid 70 and name hn  ) 1.80 0.00 2.20
assign (resid 70 and name hb# ) (resid 71 and name hn  ) 1.80 0.00 2.20
assign (resid 70 and name hb1 ) (resid 71 and name hn  ) 1.80 0.00 2.70
assign (resid 70 and name hb2 ) (resid 71 and name hn  ) 1.80 0.00 2.70
assign (resid 70 and name hb# ) (resid 71 and name hb# ) 1.80 0.00 3.70
assign (resid 70 and name hb# ) (resid 71 and name hg# ) 1.80 0.00 3.70
assign (resid 70 and name hd1 ) (resid 70 and name hn  ) 1.80 0.00 2.20
assign (resid 70 and name hd1 ) (resid 71 and name hn  ) 1.80 0.00 3.70
assign (resid 70 and name he1 ) (resid 70 and name hn  ) 1.80 0.00 4.70
assign (resid 70 and name he3 ) (resid 70 and name hn  ) 1.80 0.00 4.70
assign (resid 70 and name hn  ) (resid 71 and name ha  ) 1.80 0.00 4.20
assign (resid 70 and name hn  ) (resid 71 and name hb# ) 1.80 0.00 3.20
assign (resid 70 and name hn  ) (resid 71 and name hn  ) 1.80 0.00 1.20
assign (resid 71 and name ha  ) (resid 71 and name hg# ) 1.80 0.00 1.20
assign (resid 71 and name ha  ) (resid 71 and name hn  ) 1.80 0.00 1.70
assign (resid 71 and name ha  ) (resid 72 and name hn  ) 1.80 0.00 1.20
assign (resid 71 and name hb# ) (resid 71 and name hn  ) 1.80 0.00 1.20
assign (resid 71 and name hb1 ) (resid 71 and name hn  ) 1.80 0.00 2.20
assign (resid 71 and name hb2 ) (resid 71 and name hn  ) 1.80 0.00 2.20
assign (resid 71 and name hb# ) (resid 72 and name hn  ) 1.80 0.00 1.70
assign (resid 71 and name hb1 ) (resid 72 and name hn  ) 1.80 0.00 2.70
assign (resid 71 and name hb2 ) (resid 72 and name hn  ) 1.80 0.00 2.70
assign (resid 71 and name hg# ) (resid 71 and name hn  ) 1.80 0.00 2.20
assign (resid 71 and name hg# ) (resid 72 and name hn  ) 1.80 0.00 2.70
assign (resid 71 and name hn  ) (resid 72 and name hn  ) 1.80 0.00 3.70
assign (resid 72 and name ha  ) (resid 72 and name hn  ) 1.80 0.00 1.70
assign (resid 72 and name hb# ) (resid 72 and name hn  ) 1.80 0.00 1.20
assign (resid 72 and name hg# ) (resid 72 and name hn  ) 1.80 0.00 3.20
assign (resid 72 and name hd# ) (resid 72 and name hn  ) 1.80 0.00 3.70
assign (resid 73 and name ha  ) (resid 74 and name hn  ) 1.80 0.00 1.20
assign (resid 73 and name hb# ) (resid 74 and name hn  ) 1.80 0.00 2.70
assign (resid 74 and name ha  ) (resid 74 and name hn  ) 1.80 0.00 1.70
assign (resid 74 and name ha  ) (resid 75 and name hn  ) 1.80 0.00 1.20
assign (resid 74 and name hb# ) (resid 74 and name hn  ) 1.80 0.00 1.20
assign (resid 74 and name hb# ) (resid 75 and name hn  ) 1.80 0.00 2.70
assign (resid 74 and name hn  ) (resid 75 and name hn  ) 1.80 0.00 3.70
assign (resid 75 and name ha  ) (resid 75 and name hn  ) 1.80 0.00 1.70
assign (resid 75 and name hb# ) (resid 75 and name hn  ) 1.80 0.00 1.70

assign (resid 6 and name c)  (resid 7 and name n)
         (resid 7 and name ca) (resid 7 and name c)     1.0  -101.27  26.86 2
assign (resid 7 and name n)  (resid 7 and name ca)
         (resid 7 and name c)  (resid 8 and name n)     1.0   142.32  17.52 2
assign (resid 7 and name c)  (resid 8 and name n)
         (resid 8 and name ca) (resid 8 and name c)     1.0  -105.10  27.03 2
assign (resid 8 and name n)  (resid 8 and name ca)
         (resid 8 and name c)  (resid 9 and name n)     1.0   141.22  12.79 2
assign (resid 8 and name c)  (resid 9 and name n)
         (resid 9 and name ca) (resid 9 and name c)     1.0  -115.52  24.58 2
assign (resid 9 and name n)  (resid 9 and name ca)
         (resid 9 and name c)  (resid 10 and name n)     1.0  143.80  13.64 2
assign (resid 9 and name c)  (resid 10 and name n)
         (resid 10 and name ca) (resid 10 and name c)    1.0  -106.14 28.96 2
assign (resid 10 and name n)  (resid 10 and name ca)
         (resid 10 and name c)  (resid 11 and name n)    1.0   137.38 10.85 2
assign (resid 10 and name c)  (resid 11 and name n)
         (resid 11 and name ca) (resid 11 and name c)     1.0   -88.39 18.04 2
assign (resid 11 and name n)  (resid 11 and name ca)
         (resid 11 and name c)  (resid 12 and name n)     1.0   131.36 25.40 2
assign (resid 11 and name c)  (resid 12 and name n)
         (resid 12 and name ca) (resid 12 and name c)     1.0  -111.60 21.34 2
assign (resid 12 and name n)  (resid 12 and name ca)
         (resid 12 and name c)  (resid 13 and name n)     1.0   146.48 15.02 2
assign (resid 16 and name c)  (resid 17 and name n)
         (resid 17 and name ca) (resid 17 and name c)     1.0   -93.64 23.17 2
assign (resid 17 and name n)  (resid 17 and name ca)
         (resid 17 and name c)  (resid 18 and name n)     1.0   134.06 16.68 2
assign (resid 17 and name c)  (resid 18 and name n)
         (resid 18 and name ca) (resid 18 and name c)     1.0   -88.30 22.20 2
assign (resid 18 and name n)  (resid 18 and name ca)
         (resid 18 and name c)  (resid 19 and name n)     1.0   137.78 12.89 2
assign (resid 18 and name c)  (resid 19 and name n)
         (resid 19 and name ca) (resid 19 and name c)     1.0  -140.74 15.75 2
assign (resid 19 and name n)  (resid 19 and name ca)
         (resid 19 and name c)  (resid 20 and name n)     1.0   162.20 12.35 2
assign (resid 19 and name c)  (resid 20 and name n)
         (resid 20 and name ca) (resid 20 and name c)     1.0  -121.54 14.43 2
assign (resid 20 and name n)  (resid 20 and name ca)
         (resid 20 and name c)  (resid 21 and name n)     1.0   138.44 15.91 2
assign (resid 20 and name c)  (resid 21 and name n)
         (resid 21 and name ca) (resid 21 and name c)     1.0  -129.94 19.30 2
assign (resid 21 and name n)  (resid 21 and name ca)
         (resid 21 and name c)  (resid 22 and name n)     1.0   144.39 22.26 2
assign (resid 21 and name c)  (resid 22 and name n)
         (resid 22 and name ca) (resid 22 and name c)     1.0     -74.9 10.65 2
assign (resid 26 and name c)  (resid 27 and name n)
         (resid 27 and name ca) (resid 27 and name c)     1.0  -87.74 26.44 2
assign (resid 27 and name n)  (resid 27 and name ca)
         (resid 27 and name c)  (resid 28 and name n)     1.0  148.61 17.64 2
assign (resid 27 and name c)  (resid 28 and name n)
         (resid 28 and name ca) (resid 28 and name c)     1.0  -121.70 14.24 2
assign (resid 28 and name n)  (resid 28 and name ca)
         (resid 28 and name c)  (resid 29 and name n)     1.0   155.17 12.85 2
assign (resid 28 and name c)  (resid 29 and name n)
         (resid 29 and name ca) (resid 29 and name c)     1.0  -145.05 17.18 2
assign (resid 47 and name c)  (resid 48 and name n)
         (resid 48 and name ca) (resid 48 and name c)     1.0  -108   38  2
assign (resid 48 and name n)  (resid 48 and name ca)
         (resid 48 and name c)  (resid 49 and name n)     1.0   133   12  2
assign (resid 48 and name c)  (resid 49 and name n)
         (resid 49 and name ca) (resid 49 and name c)     1.0  -102   24  2
assign (resid 49 and name n)  (resid 49 and name ca)
         (resid 49 and name c)  (resid 50 and name n)     1.0   146   14  2
assign (resid 49 and name c)  (resid 50 and name n)
         (resid 50 and name ca) (resid 50 and name c)     1.0  -115   24  2
assign (resid 50 and name n)  (resid 50 and name ca)
         (resid 50 and name c)  (resid 51 and name n)     1.0   138   15  2
assign (resid 50 and name c)  (resid 51 and name n)
         (resid 51 and name ca) (resid 51 and name c)    1.0    -96   22  2
assign (resid 51 and name n)  (resid 51 and name ca)
         (resid 51 and name c)  (resid 52 and name n)    1.0     138  22  2
assign (resid 51 and name c)  (resid 52 and name n)
         (resid 52 and name ca) (resid 52 and name c)     1.0    -88  25  2
assign (resid 52 and name n)  (resid 52 and name ca)
         (resid 52 and name c)  (resid 53 and name n)     1.0    130  25  2
assign (resid 52 and name c)  (resid 53 and name n)
         (resid 53 and name ca) (resid 53 and name c)     1.0  -124.16  18.50 2
assign (resid 53 and name n)  (resid 53 and name ca)
         (resid 53 and name c)  (resid 54 and name n)     1.0   138.29  13.22 2
assign (resid 57 and name c)  (resid 58 and name n)
         (resid 58 and name ca) (resid 58 and name c)     1.0      -87   15   2
assign (resid 58 and name n)  (resid 58 and name ca)
         (resid 58 and name c)  (resid 59 and name n)     1.0      134   13   2
assign (resid 58 and name c)  (resid 59 and name n)
         (resid 59 and name ca) (resid 59 and name c)     1.0      -95   17   2
assign (resid 59 and name n)  (resid 59 and name ca)
         (resid 59 and name c)  (resid 60 and name n)     1.0      133   12   2
assign (resid 59 and name c)  (resid 60 and name n)
         (resid 60 and name ca) (resid 60 and name c)     1.0     -140   19   2
assign (resid 60 and name n)  (resid 60 and name ca)
         (resid 60 and name c)  (resid 61 and name n)     1.0      160   18   2
assign (resid 60 and name c)  (resid 61 and name n)
         (resid 61 and name ca) (resid 61 and name c)     1.0  -124.47  12.19 2
assign (resid 61 and name n)  (resid 61 and name ca)
         (resid 61 and name c)  (resid 62 and name n)     1.0   139.99  18.45 2
assign (resid 61 and name c)  (resid 62 and name n)
         (resid 62 and name ca) (resid 62 and name c)     1.0  -128.06 13.99 2
assign (resid 62 and name n)  (resid 62 and name ca)
         (resid 62 and name c)  (resid 63 and name n)     1.0   136.27 13.55 2
assign (resid 62 and name c)  (resid 63 and name n)
         (resid 63 and name ca) (resid 63 and name c)     1.0   -88.39  20.70 2
assign (resid 67 and name c)  (resid 68 and name n)
         (resid 68 and name ca) (resid 68 and name c)     1.0  -73.15 13.08 2
assign (resid 68 and name n)  (resid 68 and name ca)
        (resid 68 and name c)  (resid 69 and name n)      1.0  147.00  6.28 2
assign (resid 68 and name c)  (resid 69 and name n)
         (resid 69 and name ca) (resid 69 and name c)     1.0  -117.84 18.18 2
assign (resid 69 and name n)  (resid 69 and name ca)
         (resid 69 and name c)  (resid 70 and name n)     1.0   140.64 17.04 2
assign (resid 69 and name c)  (resid 70 and name n)
         (resid 70 and name ca) (resid 70 and name c)     1.0  -145.48 18.80 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           HT1      ASP   1 100.115  -6.812 -14.434
    2    H2   ASP   1           HT2      ASP   1  98.890  -7.990 -14.670
    3    H3   ASP   1           HT3      ASP   1 100.108  -7.766 -15.859
    4    HA   ASP   1           HA       ASP   1 100.401  -9.740 -14.470
    5    HB2  ASP   1           HB2      ASP   1 102.397  -7.507 -14.683
    6    HB3  ASP   1           HB1      ASP   1 102.846  -8.997 -13.860
    7    HA   PRO   2           HA       PRO   2  99.023  -8.539 -10.255
    8    HB2  PRO   2           HB2      PRO   2  99.156 -11.513 -10.077
    9    HB3  PRO   2           HB1      PRO   2  97.886 -10.408  -9.541
   10    HG2  PRO   2           HG2      PRO   2  97.570 -11.856 -11.750
   11    HG3  PRO   2           HG1      PRO   2  97.003 -10.176 -11.678
   12    HD2  PRO   2           HD2      PRO   2  99.420 -11.309 -13.017
   13    HD3  PRO   2           HD1      PRO   2  98.348  -9.995 -13.544
   14    H    SER   3           HN       SER   3 100.407  -7.960  -8.738
   15    HA   SER   3           HA       SER   3 102.336  -9.688  -7.584
   16    HB2  SER   3           HB2      SER   3 103.453  -9.010  -9.788
   17    HB3  SER   3           HB1      SER   3 103.552  -7.385  -9.112
   18    HG   SER   3           HG       SER   3 105.411  -8.899  -8.802
   19    H    LYS   4           HN       LYS   4 101.690  -6.267  -8.244
   20    HA   LYS   4           HA       LYS   4 101.240  -4.500  -6.896
   21    HB2  LYS   4           HB2      LYS   4 101.403  -6.278  -4.472
   22    HB3  LYS   4           HB1      LYS   4 100.529  -4.769  -4.666
   23    HG2  LYS   4           HG2      LYS   4  99.848  -7.402  -5.952
   24    HG3  LYS   4           HG1      LYS   4  98.989  -6.622  -4.624
   25    HD2  LYS   4           HD2      LYS   4  99.330  -5.343  -7.330
   26    HD3  LYS   4           HD1      LYS   4  97.958  -6.374  -6.921
   27    HE2  LYS   4           HE2      LYS   4  96.961  -4.526  -6.169
   28    HE3  LYS   4           HE1      LYS   4  98.079  -4.602  -4.809
   29    HZ1  LYS   4           HZ1      LYS   4  98.150  -2.428  -5.788
   30    HZ2  LYS   4           HZ2      LYS   4  98.461  -3.065  -7.323
   31    HZ3  LYS   4           HZ3      LYS   4  99.620  -3.205  -6.099
   32    H    GLY   5           HN       GLY   5 102.390  -2.953  -5.735
   33    HA2  GLY   5           HA2      GLY   5 104.702  -3.455  -4.213
   34    HA3  GLY   5           HA1      GLY   5 105.178  -3.106  -5.865
   35    H    ARG   6           HN       ARG   6 102.522  -1.721  -3.961
   36    HA   ARG   6           HA       ARG   6 103.564   0.944  -4.560
   37    HB2  ARG   6           HB2      ARG   6 100.906   0.089  -3.397
   38    HB3  ARG   6           HB1      ARG   6 101.365   1.751  -3.736
   39    HG2  ARG   6           HG2      ARG   6 101.348  -0.350  -5.875
   40    HG3  ARG   6           HG1      ARG   6  99.899   0.556  -5.437
   41    HD2  ARG   6           HD2      ARG   6 100.560   2.225  -6.742
   42    HD3  ARG   6           HD1      ARG   6 101.997   2.425  -5.740
   43    HE   ARG   6           HE       ARG   6 102.406   0.310  -7.551
   44   HH11  ARG   6          HH11      ARG   6 102.143   3.805  -7.505
   45   HH12  ARG   6          HH12      ARG   6 103.136   4.018  -8.907
   46   HH21  ARG   6          HH21      ARG   6 103.713   0.603  -9.395
   47   HH22  ARG   6          HH22      ARG   6 104.025   2.203  -9.979
   48    H    TRP   7           HN       TRP   7 105.345   0.622  -3.080
   49    HA   TRP   7           HA       TRP   7 104.596   0.997  -0.256
   50    HB2  TRP   7           HB2      TRP   7 106.997  -0.312  -1.524
   51    HB3  TRP   7           HB1      TRP   7 106.990   0.187   0.165
   52    HD1  TRP   7           HD1      TRP   7 105.621  -2.465  -2.181
   53    HE1  TRP   7           HE1      TRP   7 104.491  -4.312  -0.793
   54    HE3  TRP   7           HE3      TRP   7 105.706  -0.194   2.394
   55    HZ2  TRP   7           HZ2      TRP   7 103.743  -4.750   1.901
   56    HZ3  TRP   7           HZ3      TRP   7 104.763  -1.388   4.324
   57    HH2  TRP   7           HH2      TRP   7 103.800  -3.620   4.082
   58    H    VAL   8           HN       VAL   8 105.368   2.747   0.832
   59    HA   VAL   8           HA       VAL   8 107.044   4.630  -0.697
   60    HB   VAL   8           HB       VAL   8 104.774   5.472  -0.301
   61   HG11  VAL   8          HG11      VAL   8 103.750   4.880   1.586
   62   HG12  VAL   8          HG12      VAL   8 104.691   6.138   2.386
   63   HG13  VAL   8          HG13      VAL   8 105.273   4.474   2.375
   64   HG21  VAL   8          HG21      VAL   8 105.461   7.597   0.089
   65   HG22  VAL   8          HG22      VAL   8 107.054   6.854  -0.052
   66   HG23  VAL   8          HG23      VAL   8 106.361   7.159   1.541
   67    H    GLU   9           HN       GLU   9 108.813   5.568   0.277
   68    HA   GLU   9           HA       GLU   9 109.708   4.312   2.757
   69    HB2  GLU   9           HB2      GLU   9 111.218   4.320   0.796
   70    HB3  GLU   9           HB1      GLU   9 111.226   6.077   0.825
   71    HG2  GLU   9           HG2      GLU   9 111.942   5.216   3.411
   72    HG3  GLU   9           HG1      GLU   9 112.862   4.241   2.268
   73    H    GLY  10           HN       GLY  10 109.878   5.347   4.656
   74    HA2  GLY  10           HA2      GLY  10 109.674   8.286   4.671
   75    HA3  GLY  10           HA1      GLY  10 108.614   7.324   5.687
   76    H    ILE  11           HN       ILE  11 110.627   9.361   6.394
   77    HA   ILE  11           HA       ILE  11 112.694   7.834   7.775
   78    HB   ILE  11           HB       ILE  11 112.269  10.822   7.852
   79   HG12  ILE  11          HG12      ILE  11 112.542  10.089   5.521
   80   HG13  ILE  11          HG11      ILE  11 113.946  10.993   6.076
   81   HG21  ILE  11          HG21      ILE  11 114.356   8.965   8.831
   82   HG22  ILE  11          HG22      ILE  11 113.770  10.481   9.517
   83   HG23  ILE  11          HG23      ILE  11 114.896  10.503   8.159
   84   HD11  ILE  11          HD11      ILE  11 114.305   8.172   6.529
   85   HD12  ILE  11          HD12      ILE  11 115.294   9.304   5.606
   86   HD13  ILE  11          HD13      ILE  11 113.921   8.505   4.841
   87    H    THR  12           HN       THR  12 112.894   7.669   9.993
   88    HA   THR  12           HA       THR  12 110.657   8.714  11.600
   89    HB   THR  12           HB       THR  12 111.477   6.465  12.966
   90    HG1  THR  12           HG1      THR  12 111.689   4.834  11.494
   91   HG21  THR  12          HG21      THR  12 109.379   5.673  12.650
   92   HG22  THR  12          HG22      THR  12 109.365   6.068  10.932
   93   HG23  THR  12          HG23      THR  12 109.126   7.338  12.131
   94    H    SER  13           HN       SER  13 111.151   8.919  13.932
   95    HA   SER  13           HA       SER  13 113.269  10.560  14.482
   96    HB2  SER  13           HB2      SER  13 111.182   9.627  15.947
   97    HB3  SER  13           HB1      SER  13 112.524   8.802  16.738
   98    HG   SER  13           HG       SER  13 111.806  11.153  17.295
   99    H    GLU  14           HN       GLU  14 115.271  10.356  15.504
  100    HA   GLU  14           HA       GLU  14 117.233   9.405  16.167
  101    HB2  GLU  14           HB2      GLU  14 115.469   7.294  16.592
  102    HB3  GLU  14           HB1      GLU  14 116.725   6.610  15.570
  103    HG2  GLU  14           HG2      GLU  14 117.328   6.254  17.846
  104    HG3  GLU  14           HG1      GLU  14 118.417   7.461  17.168
  105    H    GLY  15           HN       GLY  15 115.831   7.545  13.438
  106    HA2  GLY  15           HA2      GLY  15 116.991   8.407  11.271
  107    HA3  GLY  15           HA1      GLY  15 118.419   7.755  12.062
  108    H    TYR  16           HN       TYR  16 115.065   6.647  11.562
  109    HA   TYR  16           HA       TYR  16 116.157   4.116  10.510
  110    HB2  TYR  16           HB2      TYR  16 113.541   4.457  11.988
  111    HB3  TYR  16           HB1      TYR  16 114.273   2.945  11.470
  112    HD1  TYR  16           HD2      TYR  16 116.807   2.675  12.420
  113    HD2  TYR  16           HD1      TYR  16 113.692   4.947  14.221
  114    HE1  TYR  16           HE2      TYR  16 117.929   2.479  14.598
  115    HE2  TYR  16           HE1      TYR  16 114.806   4.757  16.402
  116    HH   TYR  16           HH       TYR  16 117.144   4.369  17.250
  117    H    HIS  17           HN       HIS  17 114.760   2.993   8.961
  118    HA   HIS  17           HA       HIS  17 113.149   4.892   7.379
  119    HB2  HIS  17           HB2      HIS  17 114.904   2.604   6.487
  120    HB3  HIS  17           HB1      HIS  17 113.740   3.387   5.425
  121    HD1  HIS  17           HD1      HIS  17 115.395   4.450   3.839
  122    HD2  HIS  17           HD2      HIS  17 116.104   5.425   7.815
  123    HE1  HIS  17           HE1      HIS  17 117.136   6.262   3.786
  124    HE2  HIS  17           HE2      HIS  17 117.460   6.918   6.197
  125    H    TYR  18           HN       TYR  18 111.053   4.476   7.436
  126    HA   TYR  18           HA       TYR  18 110.170   1.691   7.788
  127    HB2  TYR  18           HB2      TYR  18 108.238   2.449   8.916
  128    HB3  TYR  18           HB1      TYR  18 109.569   3.380   9.588
  129    HD1  TYR  18           HD1      TYR  18 109.863   5.769   8.908
  130    HD2  TYR  18           HD2      TYR  18 106.435   3.508   7.794
  131    HE1  TYR  18           HE1      TYR  18 108.660   7.852   8.408
  132    HE2  TYR  18           HE2      TYR  18 105.221   5.584   7.289
  133    HH   TYR  18           HH       TYR  18 105.787   8.348   8.342
  134    H    TYR  19           HN       TYR  19 108.352   0.944   6.597
  135    HA   TYR  19           HA       TYR  19 107.780   2.523   4.174
  136    HB2  TYR  19           HB2      TYR  19 107.923  -0.493   4.245
  137    HB3  TYR  19           HB1      TYR  19 107.839   0.551   2.830
  138    HD1  TYR  19           HD1      TYR  19 109.853   2.366   2.789
  139    HD2  TYR  19           HD2      TYR  19 109.983  -1.441   4.688
  140    HE1  TYR  19           HE1      TYR  19 112.307   2.393   2.662
  141    HE2  TYR  19           HE2      TYR  19 112.440  -1.423   4.563
  142    HH   TYR  19           HH       TYR  19 114.235   1.246   4.043
  143    H    TYR  20           HN       TYR  20 105.683   2.346   3.292
  144    HA   TYR  20           HA       TYR  20 103.712   0.928   4.946
  145    HB2  TYR  20           HB2      TYR  20 103.604   3.172   5.764
  146    HB3  TYR  20           HB1      TYR  20 103.612   3.834   4.133
  147    HD1  TYR  20           HD1      TYR  20 101.577   2.220   6.719
  148    HD2  TYR  20           HD2      TYR  20 101.597   3.828   2.778
  149    HE1  TYR  20           HE1      TYR  20  99.118   2.227   6.714
  150    HE2  TYR  20           HE2      TYR  20  99.142   3.840   2.761
  151    HH   TYR  20           HH       TYR  20  97.284   2.779   3.863
  152    H    ASP  21           HN       ASP  21 101.894   0.191   3.905
  153    HA   ASP  21           HA       ASP  21 101.982   0.294   0.962
  154    HB2  ASP  21           HB2      ASP  21 102.215  -1.943   2.250
  155    HB3  ASP  21           HB1      ASP  21 100.490  -1.781   2.554
  156    H    LEU  22           HN       LEU  22 100.424   1.392  -0.023
  157    HA   LEU  22           HA       LEU  22  98.148   2.362   1.476
  158    HB2  LEU  22           HB2      LEU  22  97.579   3.460  -0.757
  159    HB3  LEU  22           HB1      LEU  22  99.020   4.002   0.076
  160    HG   LEU  22           HG       LEU  22  99.460   1.855  -1.899
  161   HD11  LEU  22          HD11      LEU  22  98.911   4.628  -2.913
  162   HD12  LEU  22          HD12      LEU  22  97.675   3.370  -2.900
  163   HD13  LEU  22          HD13      LEU  22  99.154   3.144  -3.835
  164   HD21  LEU  22          HD21      LEU  22 100.911   4.409  -2.024
  165   HD22  LEU  22          HD22      LEU  22 101.519   2.754  -1.985
  166   HD23  LEU  22          HD23      LEU  22 101.034   3.550  -0.488
  167    H    ILE  23           HN       ILE  23  98.794  -0.178  -0.802
  168    HA   ILE  23           HA       ILE  23  96.228  -0.566  -1.870
  169    HB   ILE  23           HB       ILE  23  98.250  -2.735  -1.279
  170   HG12  ILE  23          HG12      ILE  23  98.098  -1.607  -4.003
  171   HG13  ILE  23          HG11      ILE  23  98.754  -0.517  -2.789
  172   HG21  ILE  23          HG21      ILE  23  95.709  -2.631  -2.754
  173   HG22  ILE  23          HG22      ILE  23  96.526  -3.991  -1.985
  174   HG23  ILE  23          HG23      ILE  23  97.032  -3.448  -3.584
  175   HD11  ILE  23          HD11      ILE  23 100.246  -2.239  -4.176
  176   HD12  ILE  23          HD12      ILE  23  99.838  -3.258  -2.796
  177   HD13  ILE  23          HD13      ILE  23 100.645  -1.711  -2.542
  178    H    SER  24           HN       SER  24  97.786  -2.361   0.797
  179    HA   SER  24           HA       SER  24  95.212  -3.378   1.663
  180    HB2  SER  24           HB2      SER  24  97.733  -3.832   3.217
  181    HB3  SER  24           HB1      SER  24  96.372  -4.920   2.946
  182    HG   SER  24           HG       SER  24  98.101  -5.622   1.717
  183    H    GLY  25           HN       GLY  25  97.620  -1.034   2.726
  184    HA2  GLY  25           HA2      GLY  25  97.184   0.832   4.077
  185    HA3  GLY  25           HA1      GLY  25  95.667   0.097   4.570
  186    H    ALA  26           HN       ALA  26  99.121  -0.809   4.756
  187    HA   ALA  26           HA       ALA  26  98.872  -0.974   7.665
  188    HB1  ALA  26           HB1      ALA  26  98.395  -3.212   7.137
  189    HB2  ALA  26           HB2      ALA  26 100.101  -3.199   7.583
  190    HB3  ALA  26           HB3      ALA  26  99.635  -3.270   5.884
  191    H    SER  27           HN       SER  27 100.738  -0.553   8.784
  192    HA   SER  27           HA       SER  27 102.925   0.578   7.242
  193    HB2  SER  27           HB2      SER  27 102.875   0.440  10.247
  194    HB3  SER  27           HB1      SER  27 103.603   1.663   9.205
  195    HG   SER  27           HG       SER  27 101.039   1.472  10.168
  196    H    GLN  28           HN       GLN  28 104.856  -0.339   6.932
  197    HA   GLN  28           HA       GLN  28 105.502  -2.797   8.426
  198    HB2  GLN  28           HB2      GLN  28 104.845  -2.753   5.790
  199    HB3  GLN  28           HB1      GLN  28 106.586  -2.534   5.687
  200    HG2  GLN  28           HG2      GLN  28 106.076  -4.863   5.510
  201    HG3  GLN  28           HG1      GLN  28 106.886  -4.572   7.048
  202   HE21  GLN  28          HE21      GLN  28 104.076  -5.741   5.499
  203   HE22  GLN  28          HE22      GLN  28 103.183  -6.148   6.922
  204    H    TRP  29           HN       TRP  29 107.892  -3.356   8.240
  205    HA   TRP  29           HA       TRP  29 109.545  -0.918   8.251
  206    HB2  TRP  29           HB2      TRP  29 109.427  -3.117  10.301
  207    HB3  TRP  29           HB1      TRP  29 110.866  -2.117  10.115
  208    HD1  TRP  29           HD1      TRP  29 107.313  -2.027  11.448
  209    HE1  TRP  29           HE1      TRP  29 106.950   0.175  12.728
  210    HE3  TRP  29           HE3      TRP  29 111.638   0.380  10.167
  211    HZ2  TRP  29           HZ2      TRP  29 108.315   2.611  13.139
  212    HZ3  TRP  29           HZ3      TRP  29 112.031   2.643  11.044
  213    HH2  TRP  29           HH2      TRP  29 110.401   3.735  12.501
  214    H    GLU  30           HN       GLU  30 109.581  -4.476   8.055
  215    HA   GLU  30           HA       GLU  30 112.223  -4.629   7.001
  216    HB2  GLU  30           HB2      GLU  30 109.966  -6.509   7.430
  217    HB3  GLU  30           HB1      GLU  30 111.142  -6.963   6.205
  218    HG2  GLU  30           HG2      GLU  30 112.275  -6.068   8.766
  219    HG3  GLU  30           HG1      GLU  30 111.354  -7.570   8.822
  220    H    LYS  31           HN       LYS  31 112.916  -4.295   4.975
  221    HA   LYS  31           HA       LYS  31 111.169  -3.369   2.946
  222    HB2  LYS  31           HB2      LYS  31 113.726  -2.940   3.347
  223    HB3  LYS  31           HB1      LYS  31 113.928  -4.361   2.331
  224    HG2  LYS  31           HG2      LYS  31 112.537  -3.208   0.597
  225    HG3  LYS  31           HG1      LYS  31 112.603  -1.759   1.602
  226    HD2  LYS  31           HD2      LYS  31 115.141  -3.148   0.855
  227    HD3  LYS  31           HD1      LYS  31 114.337  -2.114  -0.327
  228    HE2  LYS  31           HE2      LYS  31 114.428  -0.239   1.208
  229    HE3  LYS  31           HE1      LYS  31 115.140  -1.263   2.454
  230    HZ1  LYS  31           HZ1      LYS  31 117.101  -1.527   1.141
  231    HZ2  LYS  31           HZ2      LYS  31 116.768   0.128   1.242
  232    HZ3  LYS  31           HZ3      LYS  31 116.409  -0.720  -0.175
  233    HA   PRO  32           HA       PRO  32 109.962  -7.411   1.421
  234    HB2  PRO  32           HB2      PRO  32 108.345  -6.552  -0.565
  235    HB3  PRO  32           HB1      PRO  32 107.872  -6.483   1.137
  236    HG2  PRO  32           HG2      PRO  32 108.948  -4.309  -0.620
  237    HG3  PRO  32           HG1      PRO  32 107.612  -4.247   0.544
  238    HD2  PRO  32           HD2      PRO  32 110.104  -3.323   1.106
  239    HD3  PRO  32           HD1      PRO  32 109.024  -3.997   2.342
  240    H    GLU  33           HN       GLU  33 109.731  -8.383  -0.895
  241    HA   GLU  33           HA       GLU  33 112.269  -7.949  -2.222
  242    HB2  GLU  33           HB2      GLU  33 110.811 -10.204  -1.737
  243    HB3  GLU  33           HB1      GLU  33 110.387  -9.880  -3.412
  244    HG2  GLU  33           HG2      GLU  33 113.070  -9.566  -3.510
  245    HG3  GLU  33           HG1      GLU  33 112.926 -10.781  -2.241
  246    H    GLY  34           HN       GLY  34 111.677  -5.775  -2.951
  247    HA2  GLY  34           HA2      GLY  34 111.363  -5.393  -5.565
  248    HA3  GLY  34           HA1      GLY  34 109.690  -5.619  -5.080
  249    H    PHE  35           HN       PHE  35 112.414  -3.900  -3.548
  250    HA   PHE  35           HA       PHE  35 110.807  -1.436  -3.675
  251    HB2  PHE  35           HB2      PHE  35 111.039  -2.614  -1.371
  252    HB3  PHE  35           HB1      PHE  35 112.690  -2.007  -1.399
  253    HD1  PHE  35           HD1      PHE  35 109.195  -0.777  -1.902
  254    HD2  PHE  35           HD2      PHE  35 113.106   0.034  -0.427
  255    HE1  PHE  35           HE1      PHE  35 108.416   1.387  -1.025
  256    HE2  PHE  35           HE2      PHE  35 112.329   2.195   0.452
  257    HZ   PHE  35           HZ       PHE  35 109.982   2.873   0.153
  258    H    GLN  36           HN       GLN  36 112.254   0.552  -3.237
  259    HA   GLN  36           HA       GLN  36 113.985   1.902  -3.822
  260    HB2  GLN  36           HB2      GLN  36 115.273  -0.626  -3.266
  261    HB3  GLN  36           HB1      GLN  36 116.099   0.207  -4.574
  262    HG2  GLN  36           HG2      GLN  36 116.094   2.250  -3.046
  263    HG3  GLN  36           HG1      GLN  36 115.649   1.133  -1.759
  264   HE21  GLN  36          HE21      GLN  36 117.146  -1.065  -2.332
  265   HE22  GLN  36          HE22      GLN  36 118.827  -0.685  -2.214
  266    H    GLY  37           HN       GLY  37 112.069   0.972  -5.741
  267    HA2  GLY  37           HA2      GLY  37 111.681   1.252  -7.990
  268    HA3  GLY  37           HA1      GLY  37 113.311   1.888  -8.126
  269    H    ASP  38           HN       ASP  38 114.037   0.845  -9.912
  270    HA   ASP  38           HA       ASP  38 113.559  -1.963 -10.333
  271    HB2  ASP  38           HB2      ASP  38 115.479  -0.168 -11.831
  272    HB3  ASP  38           HB1      ASP  38 114.821  -1.706 -12.374
  273    H    LEU  39           HN       LEU  39 115.678  -3.236 -11.096
  274    HA   LEU  39           HA       LEU  39 117.911  -2.773  -9.282
  275    HB2  LEU  39           HB2      LEU  39 116.157  -4.227  -8.148
  276    HB3  LEU  39           HB1      LEU  39 116.537  -5.455  -9.339
  277    HG   LEU  39           HG       LEU  39 118.730  -4.300  -7.658
  278   HD11  LEU  39          HD11      LEU  39 117.515  -4.910  -5.847
  279   HD12  LEU  39          HD12      LEU  39 118.157  -6.499  -6.262
  280   HD13  LEU  39          HD13      LEU  39 116.523  -6.052  -6.753
  281   HD21  LEU  39          HD21      LEU  39 119.399  -6.807  -7.914
  282   HD22  LEU  39          HD22      LEU  39 119.627  -5.692  -9.261
  283   HD23  LEU  39          HD23      LEU  39 118.242  -6.783  -9.245
  284    H    LYS  40           HN       LYS  40 119.337  -2.488 -10.953
  285    HA   LYS  40           HA       LYS  40 120.819  -3.040 -12.587
  286    HB2  LYS  40           HB2      LYS  40 120.600  -5.299 -11.039
  287    HB3  LYS  40           HB1      LYS  40 120.247  -5.918 -12.645
  288    HG2  LYS  40           HG2      LYS  40 122.380  -4.863 -13.426
  289    HG3  LYS  40           HG1      LYS  40 122.737  -4.494 -11.737
  290    HD2  LYS  40           HD2      LYS  40 122.563  -6.904 -11.210
  291    HD3  LYS  40           HD1      LYS  40 122.301  -7.237 -12.922
  292    HE2  LYS  40           HE2      LYS  40 124.748  -5.836 -11.857
  293    HE3  LYS  40           HE1      LYS  40 124.653  -7.581 -12.088
  294    HZ1  LYS  40           HZ1      LYS  40 123.882  -6.778 -14.482
  295    HZ2  LYS  40           HZ2      LYS  40 125.509  -7.012 -14.086
  296    HZ3  LYS  40           HZ3      LYS  40 124.853  -5.454 -14.072
  297    H    LYS  41           HN       LYS  41 120.983  -4.225 -14.792
  298    HA   LYS  41           HA       LYS  41 120.190  -4.511 -16.902
  299    HB2  LYS  41           HB2      LYS  41 118.870  -6.316 -15.632
  300    HB3  LYS  41           HB1      LYS  41 117.508  -5.210 -15.724
  301    HG2  LYS  41           HG2      LYS  41 117.032  -6.175 -17.666
  302    HG3  LYS  41           HG1      LYS  41 118.417  -5.305 -18.324
  303    HD2  LYS  41           HD2      LYS  41 118.869  -7.492 -18.944
  304    HD3  LYS  41           HD1      LYS  41 119.786  -7.330 -17.446
  305    HE2  LYS  41           HE2      LYS  41 118.628  -9.430 -17.404
  306    HE3  LYS  41           HE1      LYS  41 117.873  -8.354 -16.230
  307    HZ1  LYS  41           HZ1      LYS  41 116.034  -8.024 -17.624
  308    HZ2  LYS  41           HZ2      LYS  41 116.338  -9.685 -17.708
  309    HZ3  LYS  41           HZ3      LYS  41 116.814  -8.674 -18.978
  310    H    THR  42           HN       THR  42 120.214  -2.507 -17.779
  311    HA   THR  42           HA       THR  42 119.443  -0.554 -18.654
  312    HB   THR  42           HB       THR  42 116.640  -1.388 -17.941
  313    HG1  THR  42           HG1      THR  42 118.250  -2.393 -20.049
  314   HG21  THR  42          HG21      THR  42 116.831  -0.532 -20.599
  315   HG22  THR  42          HG22      THR  42 117.767   0.616 -19.641
  316   HG23  THR  42          HG23      THR  42 116.078   0.303 -19.241
  317    H    ALA  43           HN       ALA  43 119.955  -0.905 -15.719
  318    HA   ALA  43           HA       ALA  43 118.632   1.559 -14.814
  319    HB1  ALA  43           HB1      ALA  43 118.353   0.619 -12.582
  320    HB2  ALA  43           HB2      ALA  43 119.057  -0.905 -13.120
  321    HB3  ALA  43           HB3      ALA  43 117.510  -0.369 -13.775
  322    H    VAL  44           HN       VAL  44 119.796   2.258 -12.630
  323    HA   VAL  44           HA       VAL  44 122.703   1.960 -13.025
  324    HB   VAL  44           HB       VAL  44 121.349   4.496 -12.101
  325   HG11  VAL  44          HG11      VAL  44 123.411   5.451 -11.978
  326   HG12  VAL  44          HG12      VAL  44 124.097   4.405 -13.221
  327   HG13  VAL  44          HG13      VAL  44 123.848   3.789 -11.588
  328   HG21  VAL  44          HG21      VAL  44 122.571   4.059 -14.818
  329   HG22  VAL  44          HG22      VAL  44 121.600   5.420 -14.261
  330   HG23  VAL  44          HG23      VAL  44 120.849   3.844 -14.504
  331    H    LYS  45           HN       LYS  45 122.911   0.417 -11.391
  332    HA   LYS  45           HA       LYS  45 122.734   1.492  -8.672
  333    HB2  LYS  45           HB2      LYS  45 120.852  -0.295  -9.597
  334    HB3  LYS  45           HB1      LYS  45 122.026  -1.350  -8.825
  335    HG2  LYS  45           HG2      LYS  45 120.500  -0.878  -7.139
  336    HG3  LYS  45           HG1      LYS  45 121.838   0.225  -6.813
  337    HD2  LYS  45           HD2      LYS  45 120.272   1.717  -8.483
  338    HD3  LYS  45           HD1      LYS  45 119.066   0.792  -7.588
  339    HE2  LYS  45           HE2      LYS  45 121.297   2.325  -6.265
  340    HE3  LYS  45           HE1      LYS  45 119.707   3.016  -6.586
  341    HZ1  LYS  45           HZ1      LYS  45 120.502   1.013  -4.618
  342    HZ2  LYS  45           HZ2      LYS  45 118.979   0.816  -5.327
  343    HZ3  LYS  45           HZ3      LYS  45 119.347   2.245  -4.502
  344    H    THR  46           HN       THR  46 124.685   1.337  -7.780
  345    HA   THR  46           HA       THR  46 126.736  -0.307  -8.899
  346    HB   THR  46           HB       THR  46 128.173   0.629  -7.172
  347    HG1  THR  46           HG1      THR  46 127.395   1.294  -5.350
  348   HG21  THR  46          HG21      THR  46 128.292   2.487  -8.356
  349   HG22  THR  46          HG22      THR  46 126.922   3.134  -7.453
  350   HG23  THR  46          HG23      THR  46 126.649   2.243  -8.949
  351    H    VAL  47           HN       VAL  47 128.186  -1.556  -7.182
  352    HA   VAL  47           HA       VAL  47 126.553  -3.743  -6.285
  353    HB   VAL  47           HB       VAL  47 128.752  -4.140  -7.318
  354   HG11  VAL  47          HG11      VAL  47 130.186  -3.403  -4.827
  355   HG12  VAL  47          HG12      VAL  47 129.737  -2.104  -5.933
  356   HG13  VAL  47          HG13      VAL  47 130.751  -3.432  -6.497
  357   HG21  VAL  47          HG21      VAL  47 129.590  -5.768  -5.598
  358   HG22  VAL  47          HG22      VAL  47 127.879  -5.909  -6.002
  359   HG23  VAL  47          HG23      VAL  47 128.369  -5.125  -4.501
  360    H    TRP  48           HN       TRP  48 128.156  -1.023  -4.795
  361    HA   TRP  48           HA       TRP  48 127.713  -2.055  -2.109
  362    HB2  TRP  48           HB2      TRP  48 128.942   0.518  -3.110
  363    HB3  TRP  48           HB1      TRP  48 128.773   0.106  -1.412
  364    HD1  TRP  48           HD1      TRP  48 130.720  -0.943  -4.555
  365    HE1  TRP  48           HE1      TRP  48 132.816  -2.242  -3.817
  366    HE3  TRP  48           HE3      TRP  48 129.758  -1.258   0.457
  367    HZ2  TRP  48           HZ2      TRP  48 133.917  -3.261  -1.425
  368    HZ3  TRP  48           HZ3      TRP  48 131.384  -2.411   1.901
  369    HH2  TRP  48           HH2      TRP  48 133.420  -3.392   0.977
  370    H    VAL  49           HN       VAL  49 126.264  -1.202  -0.641
  371    HA   VAL  49           HA       VAL  49 124.187   0.546  -1.782
  372    HB   VAL  49           HB       VAL  49 123.380  -1.658  -1.039
  373   HG11  VAL  49          HG11      VAL  49 123.828  -2.591   0.950
  374   HG12  VAL  49          HG12      VAL  49 123.614  -1.073   1.822
  375   HG13  VAL  49          HG13      VAL  49 125.146  -1.422   1.023
  376   HG21  VAL  49          HG21      VAL  49 122.029   0.513  -0.867
  377   HG22  VAL  49          HG22      VAL  49 122.309   0.398   0.871
  378   HG23  VAL  49          HG23      VAL  49 121.444  -0.888   0.030
  379    H    GLU  50           HN       GLU  50 123.652   2.459  -0.819
  380    HA   GLU  50           HA       GLU  50 125.455   3.408   1.263
  381    HB2  GLU  50           HB2      GLU  50 125.093   4.811  -0.712
  382    HB3  GLU  50           HB1      GLU  50 123.370   4.869  -0.370
  383    HG2  GLU  50           HG2      GLU  50 124.866   5.731   1.923
  384    HG3  GLU  50           HG1      GLU  50 125.351   6.640   0.493
  385    H    GLY  51           HN       GLY  51 124.929   3.411   3.335
  386    HA2  GLY  51           HA2      GLY  51 122.068   3.410   4.076
  387    HA3  GLY  51           HA1      GLY  51 123.288   2.500   4.951
  388    H    LEU  52           HN       LEU  52 121.538   4.337   6.182
  389    HA   LEU  52           HA       LEU  52 123.368   6.537   6.896
  390    HB2  LEU  52           HB2      LEU  52 121.282   7.344   5.954
  391    HB3  LEU  52           HB1      LEU  52 120.362   6.394   7.102
  392    HG   LEU  52           HG       LEU  52 121.845   7.908   8.796
  393   HD11  LEU  52          HD11      LEU  52 121.642  10.248   7.868
  394   HD12  LEU  52          HD12      LEU  52 121.424   9.505   6.284
  395   HD13  LEU  52          HD13      LEU  52 122.922   9.250   7.180
  396   HD21  LEU  52          HD21      LEU  52 119.373   9.161   7.741
  397   HD22  LEU  52          HD22      LEU  52 119.846   8.804   9.402
  398   HD23  LEU  52          HD23      LEU  52 119.250   7.513   8.359
  399    H    SER  53           HN       SER  53 124.106   6.670   8.918
  400    HA   SER  53           HA       SER  53 122.755   5.226  11.071
  401    HB2  SER  53           HB2      SER  53 125.236   4.396   9.832
  402    HB3  SER  53           HB1      SER  53 125.492   4.789  11.532
  403    HG   SER  53           HG       SER  53 123.591   2.967  10.470
  404    H    GLU  54           HN       GLU  54 123.277   5.994  13.176
  405    HA   GLU  54           HA       GLU  54 123.802   7.547  14.745
  406    HB2  GLU  54           HB2      GLU  54 126.103   7.273  13.251
  407    HB3  GLU  54           HB1      GLU  54 125.825   9.008  13.199
  408    HG2  GLU  54           HG2      GLU  54 125.417   8.296  15.860
  409    HG3  GLU  54           HG1      GLU  54 126.822   7.364  15.344
  410    H    ASP  55           HN       ASP  55 124.698  10.274  14.323
  411    HA   ASP  55           HA       ASP  55 122.263  11.586  13.989
  412    HB2  ASP  55           HB2      ASP  55 125.114  12.545  13.878
  413    HB3  ASP  55           HB1      ASP  55 123.766  13.651  13.641
  414    H    GLY  56           HN       GLY  56 124.592  10.592  11.594
  415    HA2  GLY  56           HA2      GLY  56 122.985  10.732   9.403
  416    HA3  GLY  56           HA1      GLY  56 123.654  12.353   9.527
  417    H    PHE  57           HN       PHE  57 125.105   9.171  10.166
  418    HA   PHE  57           HA       PHE  57 127.360   9.910   8.462
  419    HB2  PHE  57           HB2      PHE  57 126.951   7.765  10.540
  420    HB3  PHE  57           HB1      PHE  57 128.343   7.764   9.463
  421    HD1  PHE  57           HD1      PHE  57 126.552  10.290  11.561
  422    HD2  PHE  57           HD2      PHE  57 130.258   8.552  10.412
  423    HE1  PHE  57           HE1      PHE  57 127.735  11.811  13.094
  424    HE2  PHE  57           HE2      PHE  57 131.449  10.066  11.939
  425    HZ   PHE  57           HZ       PHE  57 130.189  11.700  13.283
  426    H    THR  58           HN       THR  58 127.882   8.824   6.598
  427    HA   THR  58           HA       THR  58 125.856   6.962   5.606
  428    HB   THR  58           HB       THR  58 128.103   7.973   3.908
  429    HG1  THR  58           HG1      THR  58 127.531   9.934   4.392
  430   HG21  THR  58          HG21      THR  58 126.679   6.569   2.715
  431   HG22  THR  58          HG22      THR  58 126.162   8.199   2.284
  432   HG23  THR  58          HG23      THR  58 125.234   7.259   3.452
  433    H    TYR  59           HN       TYR  59 126.191   4.866   5.664
  434    HA   TYR  59           HA       TYR  59 128.952   3.849   5.682
  435    HB2  TYR  59           HB2      TYR  59 128.291   2.039   7.052
  436    HB3  TYR  59           HB1      TYR  59 127.546   3.462   7.763
  437    HD1  TYR  59           HD1      TYR  59 126.919   0.386   5.841
  438    HD2  TYR  59           HD2      TYR  59 125.159   3.690   7.866
  439    HE1  TYR  59           HE1      TYR  59 124.737  -0.743   5.774
  440    HE2  TYR  59           HE2      TYR  59 122.972   2.569   7.803
  441    HH   TYR  59           HH       TYR  59 121.855   0.788   6.320
  442    H    TYR  60           HN       TYR  60 129.473   2.059   4.382
  443    HA   TYR  60           HA       TYR  60 127.453   1.420   2.326
  444    HB2  TYR  60           HB2      TYR  60 130.454   1.578   1.958
  445    HB3  TYR  60           HB1      TYR  60 129.275   1.199   0.706
  446    HD1  TYR  60           HD1      TYR  60 127.293   3.092   0.630
  447    HD2  TYR  60           HD2      TYR  60 131.316   3.712   1.875
  448    HE1  TYR  60           HE1      TYR  60 127.081   5.483   0.104
  449    HE2  TYR  60           HE2      TYR  60 131.113   6.106   1.352
  450    HH   TYR  60           HH       TYR  60 128.528   7.388  -0.445
  451    H    TYR  61           HN       TYR  61 127.211  -0.700   1.697
  452    HA   TYR  61           HA       TYR  61 128.868  -2.709   3.073
  453    HB2  TYR  61           HB2      TYR  61 126.752  -2.485   4.274
  454    HB3  TYR  61           HB1      TYR  61 125.857  -2.730   2.780
  455    HD1  TYR  61           HD2      TYR  61 127.965  -4.365   5.322
  456    HD2  TYR  61           HD1      TYR  61 125.504  -4.925   1.896
  457    HE1  TYR  61           HE2      TYR  61 127.923  -6.784   5.757
  458    HE2  TYR  61           HE1      TYR  61 125.453  -7.348   2.319
  459    HH   TYR  61           HH       TYR  61 125.751  -8.853   4.446
  460    H    ASN  62           HN       ASN  62 129.139  -4.701   1.996
  461    HA   ASN  62           HA       ASN  62 128.446  -4.630  -0.868
  462    HB2  ASN  62           HB2      ASN  62 130.938  -4.620   0.055
  463    HB3  ASN  62           HB1      ASN  62 130.662  -6.356   0.139
  464   HD21  ASN  62          HD21      ASN  62 132.603  -5.652  -1.466
  465   HD22  ASN  62          HD22      ASN  62 132.140  -5.736  -3.128
  466    H    THR  63           HN       THR  63 127.196  -6.197  -1.663
  467    HA   THR  63           HA       THR  63 126.234  -8.281   0.087
  468    HB   THR  63           HB       THR  63 124.817  -8.897  -1.898
  469    HG1  THR  63           HG1      THR  63 124.886  -7.615  -3.690
  470   HG21  THR  63          HG21      THR  63 124.464  -5.976  -1.551
  471   HG22  THR  63          HG22      THR  63 124.301  -7.017  -0.136
  472   HG23  THR  63          HG23      THR  63 123.271  -7.275  -1.544
  473    H    GLU  64           HN       GLU  64 128.669  -8.009  -2.341
  474    HA   GLU  64           HA       GLU  64 128.743 -10.602  -3.365
  475    HB2  GLU  64           HB2      GLU  64 130.039  -8.741  -4.300
  476    HB3  GLU  64           HB1      GLU  64 131.051  -8.711  -2.864
  477    HG2  GLU  64           HG2      GLU  64 132.008 -10.815  -3.386
  478    HG3  GLU  64           HG1      GLU  64 130.820 -11.113  -4.654
  479    H    THR  65           HN       THR  65 130.867  -9.306  -0.784
  480    HA   THR  65           HA       THR  65 131.268 -12.057   0.155
  481    HB   THR  65           HB       THR  65 133.324 -10.868  -0.272
  482    HG1  THR  65           HG1      THR  65 134.284 -11.154   1.713
  483   HG21  THR  65          HG21      THR  65 134.006  -8.895   0.963
  484   HG22  THR  65          HG22      THR  65 132.414  -8.802   1.716
  485   HG23  THR  65          HG23      THR  65 132.582  -8.564  -0.024
  486    H    GLY  66           HN       GLY  66 130.270  -8.853   1.314
  487    HA2  GLY  66           HA2      GLY  66 128.481  -8.638   2.892
  488    HA3  GLY  66           HA1      GLY  66 128.933 -10.195   3.564
  489    H    GLU  67           HN       GLU  67 130.477  -7.026   2.989
  490    HA   GLU  67           HA       GLU  67 131.284  -6.990   5.807
  491    HB2  GLU  67           HB2      GLU  67 133.091  -7.752   3.996
  492    HB3  GLU  67           HB1      GLU  67 133.267  -6.013   3.812
  493    HG2  GLU  67           HG2      GLU  67 134.065  -5.734   5.963
  494    HG3  GLU  67           HG1      GLU  67 133.361  -7.248   6.530
  495    H    SER  68           HN       SER  68 130.841  -5.110   6.751
  496    HA   SER  68           HA       SER  68 129.779  -2.928   5.212
  497    HB2  SER  68           HB2      SER  68 129.604  -1.828   7.506
  498    HB3  SER  68           HB1      SER  68 128.702  -3.329   7.297
  499    HG   SER  68           HG       SER  68 131.234  -3.035   8.557
  500    H    ARG  69           HN       ARG  69 130.587  -0.798   5.127
  501    HA   ARG  69           HA       ARG  69 133.411  -0.446   5.863
  502    HB2  ARG  69           HB2      ARG  69 132.945  -0.996   3.372
  503    HB3  ARG  69           HB1      ARG  69 132.315   0.642   3.285
  504    HG2  ARG  69           HG2      ARG  69 134.381   1.600   3.616
  505    HG3  ARG  69           HG1      ARG  69 135.033   0.170   4.417
  506    HD2  ARG  69           HD2      ARG  69 134.765  -0.992   2.152
  507    HD3  ARG  69           HD1      ARG  69 134.558   0.626   1.484
  508    HE   ARG  69           HE       ARG  69 136.804   0.995   1.760
  509   HH11  ARG  69          HH11      ARG  69 135.894  -1.860   3.573
  510   HH12  ARG  69          HH12      ARG  69 137.526  -2.301   3.940
  511   HH21  ARG  69          HH21      ARG  69 138.957   0.412   2.251
  512   HH22  ARG  69          HH22      ARG  69 139.267  -1.009   3.190
  513    H    TRP  70           HN       TRP  70 134.082   1.805   6.039
  514    HA   TRP  70           HA       TRP  70 131.840   3.662   6.509
  515    HB2  TRP  70           HB2      TRP  70 134.292   3.219   8.226
  516    HB3  TRP  70           HB1      TRP  70 133.207   4.593   8.414
  517    HD1  TRP  70           HD1      TRP  70 133.414   0.831   9.029
  518    HE1  TRP  70           HE1      TRP  70 131.477   0.132  10.572
  519    HE3  TRP  70           HE3      TRP  70 130.808   5.230   9.109
  520    HZ2  TRP  70           HZ2      TRP  70 129.153   1.291  11.678
  521    HZ3  TRP  70           HZ3      TRP  70 128.739   5.351  10.434
  522    HH2  TRP  70           HH2      TRP  70 127.930   3.421  11.692
  523    H    GLU  71           HN       GLU  71 133.619   3.329   4.179
  524    HA   GLU  71           HA       GLU  71 134.445   6.099   3.919
  525    HB2  GLU  71           HB2      GLU  71 136.355   3.783   3.849
  526    HB3  GLU  71           HB1      GLU  71 136.653   5.195   2.845
  527    HG2  GLU  71           HG2      GLU  71 137.670   6.116   4.579
  528    HG3  GLU  71           HG1      GLU  71 136.097   6.234   5.363
  529    H    LYS  72           HN       LYS  72 134.578   6.793   1.746
  530    HA   LYS  72           HA       LYS  72 132.961   5.291  -0.078
  531    HB2  LYS  72           HB2      LYS  72 133.742   7.980   0.203
  532    HB3  LYS  72           HB1      LYS  72 134.378   7.459  -1.351
  533    HG2  LYS  72           HG2      LYS  72 131.821   6.460  -1.380
  534    HG3  LYS  72           HG1      LYS  72 131.636   7.996  -0.532
  535    HD2  LYS  72           HD2      LYS  72 133.289   7.987  -2.998
  536    HD3  LYS  72           HD1      LYS  72 131.546   7.801  -3.190
  537    HE2  LYS  72           HE2      LYS  72 131.425  10.026  -3.087
  538    HE3  LYS  72           HE1      LYS  72 131.776   9.865  -1.368
  539    HZ1  LYS  72           HZ1      LYS  72 133.904  10.555  -1.644
  540    HZ2  LYS  72           HZ2      LYS  72 133.227  11.363  -2.967
  541    HZ3  LYS  72           HZ3      LYS  72 134.054   9.905  -3.200
  542    HA   PRO  73           HA       PRO  73 136.494   2.983  -1.664
  543    HB2  PRO  73           HB2      PRO  73 135.078   1.488  -3.441
  544    HB3  PRO  73           HB1      PRO  73 135.157   1.126  -1.714
  545    HG2  PRO  73           HG2      PRO  73 133.014   2.530  -3.263
  546    HG3  PRO  73           HG1      PRO  73 132.855   1.316  -1.979
  547    HD2  PRO  73           HD2      PRO  73 132.513   3.961  -1.529
  548    HD3  PRO  73           HD1      PRO  73 133.184   2.866  -0.302
  549    H    ASP  74           HN       ASP  74 137.775   3.089  -3.492
  550    HA   ASP  74           HA       ASP  74 136.955   5.053  -5.511
  551    HB2  ASP  74           HB2      ASP  74 139.369   5.121  -6.099
  552    HB3  ASP  74           HB1      ASP  74 139.061   5.536  -4.416
  553    H    ASP  75           HN       ASP  75 137.572   4.681  -7.774
  554    HA   ASP  75           HA       ASP  75 137.994   1.942  -8.617
  555    HB2  ASP  75           HB2      ASP  75 135.951   2.099 -10.165
  556    HB3  ASP  75           HB1      ASP  75 135.648   1.765  -8.466
  Start of MODEL    2
    1    H1   ASP   1           HT1      ASP   1 101.159 -15.004  -2.662
    2    H2   ASP   1           HT2      ASP   1 100.890 -16.330  -3.716
    3    H3   ASP   1           HT3      ASP   1  99.672 -15.143  -3.502
    4    HA   ASP   1           HA       ASP   1 102.055 -15.137  -5.117
    5    HB2  ASP   1           HB2      ASP   1  99.301 -14.888  -5.468
    6    HB3  ASP   1           HB1      ASP   1  99.913 -13.260  -5.738
    7    HA   PRO   2           HA       PRO   2 101.727 -10.360  -3.835
    8    HB2  PRO   2           HB2      PRO   2 100.631 -10.826  -1.101
    9    HB3  PRO   2           HB1      PRO   2 100.348  -9.482  -2.213
   10    HG2  PRO   2           HG2      PRO   2  98.496 -11.355  -1.854
   11    HG3  PRO   2           HG1      PRO   2  98.796 -10.670  -3.462
   12    HD2  PRO   2           HD2      PRO   2  99.600 -13.317  -2.345
   13    HD3  PRO   2           HD1      PRO   2  99.097 -12.891  -3.993
   14    H    SER   3           HN       SER   3 103.587  -9.497  -3.052
   15    HA   SER   3           HA       SER   3 105.101 -11.087  -1.085
   16    HB2  SER   3           HB2      SER   3 105.935 -10.846  -3.555
   17    HB3  SER   3           HB1      SER   3 106.447  -9.242  -3.030
   18    HG   SER   3           HG       SER   3 107.249 -11.754  -1.985
   19    H    LYS   4           HN       LYS   4 106.936  -9.632  -0.083
   20    HA   LYS   4           HA       LYS   4 105.917  -6.956   0.558
   21    HB2  LYS   4           HB2      LYS   4 105.237  -8.818   2.243
   22    HB3  LYS   4           HB1      LYS   4 106.922  -8.767   2.736
   23    HG2  LYS   4           HG2      LYS   4 105.349  -6.236   2.643
   24    HG3  LYS   4           HG1      LYS   4 105.129  -7.355   3.987
   25    HD2  LYS   4           HD2      LYS   4 107.934  -6.826   3.327
   26    HD3  LYS   4           HD1      LYS   4 107.039  -5.400   3.858
   27    HE2  LYS   4           HE2      LYS   4 107.979  -6.381   5.804
   28    HE3  LYS   4           HE1      LYS   4 106.257  -6.755   5.827
   29    HZ1  LYS   4           HZ1      LYS   4 106.818  -8.953   4.877
   30    HZ2  LYS   4           HZ2      LYS   4 107.482  -8.705   6.412
   31    HZ3  LYS   4           HZ3      LYS   4 108.462  -8.584   5.040
   32    H    GLY   5           HN       GLY   5 107.514  -5.447   0.630
   33    HA2  GLY   5           HA2      GLY   5 109.928  -5.369   1.703
   34    HA3  GLY   5           HA1      GLY   5 110.266  -6.382   0.314
   35    H    ARG   6           HN       ARG   6 109.538  -5.434  -1.819
   36    HA   ARG   6           HA       ARG   6 110.761  -2.875  -2.126
   37    HB2  ARG   6           HB2      ARG   6 109.381  -4.769  -4.015
   38    HB3  ARG   6           HB1      ARG   6 109.881  -3.172  -4.545
   39    HG2  ARG   6           HG2      ARG   6 111.556  -4.767  -5.156
   40    HG3  ARG   6           HG1      ARG   6 112.201  -3.719  -3.891
   41    HD2  ARG   6           HD2      ARG   6 112.041  -5.393  -2.264
   42    HD3  ARG   6           HD1      ARG   6 110.923  -6.353  -3.233
   43    HE   ARG   6           HE       ARG   6 113.187  -6.317  -4.726
   44   HH11  ARG   6          HH11      ARG   6 112.524  -7.181  -1.395
   45   HH12  ARG   6          HH12      ARG   6 113.790  -8.359  -1.320
   46   HH21  ARG   6          HH21      ARG   6 114.852  -7.878  -4.619
   47   HH22  ARG   6          HH22      ARG   6 115.110  -8.754  -3.148
   48    H    TRP   7           HN       TRP   7 109.541  -1.416  -0.919
   49    HA   TRP   7           HA       TRP   7 106.840  -0.829  -1.947
   50    HB2  TRP   7           HB2      TRP   7 108.057  -0.463   0.784
   51    HB3  TRP   7           HB1      TRP   7 106.617   0.422   0.293
   52    HD1  TRP   7           HD1      TRP   7 107.750  -2.938   1.548
   53    HE1  TRP   7           HE1      TRP   7 105.709  -4.481   1.834
   54    HE3  TRP   7           HE3      TRP   7 104.233  -0.078  -0.816
   55    HZ2  TRP   7           HZ2      TRP   7 102.969  -4.484   1.146
   56    HZ3  TRP   7           HZ3      TRP   7 101.927  -0.923  -0.959
   57    HH2  TRP   7           HH2      TRP   7 101.310  -3.081   0.002
   58    H    VAL   8           HN       VAL   8 106.218   1.380  -2.149
   59    HA   VAL   8           HA       VAL   8 108.466   3.268  -2.442
   60    HB   VAL   8           HB       VAL   8 106.028   3.399  -4.193
   61   HG11  VAL   8          HG11      VAL   8 108.734   4.217  -5.081
   62   HG12  VAL   8          HG12      VAL   8 107.955   5.201  -3.843
   63   HG13  VAL   8          HG13      VAL   8 107.163   4.951  -5.398
   64   HG21  VAL   8          HG21      VAL   8 107.455   2.252  -5.951
   65   HG22  VAL   8          HG22      VAL   8 106.786   1.222  -4.685
   66   HG23  VAL   8          HG23      VAL   8 108.480   1.711  -4.622
   67    H    GLU   9           HN       GLU   9 108.214   5.188  -1.413
   68    HA   GLU   9           HA       GLU   9 105.697   5.667  -0.022
   69    HB2  GLU   9           HB2      GLU   9 107.793   5.864   1.252
   70    HB3  GLU   9           HB1      GLU   9 108.329   7.148   0.176
   71    HG2  GLU   9           HG2      GLU   9 106.677   8.635   0.958
   72    HG3  GLU   9           HG1      GLU   9 105.787   7.348   1.763
   73    H    GLY  10           HN       GLY  10 104.250   7.171  -0.556
   74    HA2  GLY  10           HA2      GLY  10 105.035   9.261  -2.476
   75    HA3  GLY  10           HA1      GLY  10 103.597   8.294  -2.762
   76    H    ILE  11           HN       ILE  11 103.904  11.197  -2.377
   77    HA   ILE  11           HA       ILE  11 102.409  11.601   0.124
   78    HB   ILE  11           HB       ILE  11 103.606  13.738  -1.640
   79   HG12  ILE  11          HG12      ILE  11 105.373  12.220  -0.807
   80   HG13  ILE  11          HG11      ILE  11 105.492  13.827  -0.099
   81   HG21  ILE  11          HG21      ILE  11 102.610  13.769   1.206
   82   HG22  ILE  11          HG22      ILE  11 101.865  14.553  -0.187
   83   HG23  ILE  11          HG23      ILE  11 103.429  15.112   0.407
   84   HD11  ILE  11          HD11      ILE  11 104.975  13.094   1.987
   85   HD12  ILE  11          HD12      ILE  11 105.730  11.635   1.347
   86   HD13  ILE  11          HD13      ILE  11 103.972  11.769   1.399
   87    H    THR  12           HN       THR  12 100.390  12.558   0.145
   88    HA   THR  12           HA       THR  12  99.164  13.103  -2.474
   89    HB   THR  12           HB       THR  12  97.020  12.301  -1.013
   90    HG1  THR  12           HG1      THR  12  97.598  10.479   0.152
   91   HG21  THR  12          HG21      THR  12  98.839  10.561  -2.654
   92   HG22  THR  12          HG22      THR  12  97.416  11.446  -3.201
   93   HG23  THR  12          HG23      THR  12  97.234  10.081  -2.101
   94    H    SER  13           HN       SER  13  97.246  14.513  -2.366
   95    HA   SER  13           HA       SER  13  97.715  16.963  -1.252
   96    HB2  SER  13           HB2      SER  13  95.619  15.781  -2.707
   97    HB3  SER  13           HB1      SER  13  94.864  16.517  -1.293
   98    HG   SER  13           HG       SER  13  96.281  17.711  -3.389
   99    H    GLU  14           HN       GLU  14  96.909  18.144   0.510
  100    HA   GLU  14           HA       GLU  14  96.084  18.545   2.603
  101    HB2  GLU  14           HB2      GLU  14  94.569  16.370   1.939
  102    HB3  GLU  14           HB1      GLU  14  95.444  15.769   3.341
  103    HG2  GLU  14           HG2      GLU  14  93.945  18.370   3.349
  104    HG3  GLU  14           HG1      GLU  14  93.208  16.831   3.790
  105    H    GLY  15           HN       GLY  15  97.668  15.327   2.480
  106    HA2  GLY  15           HA2      GLY  15 100.095  15.641   3.359
  107    HA3  GLY  15           HA1      GLY  15  99.255  16.107   4.832
  108    H    TYR  16           HN       TYR  16  98.734  13.501   2.455
  109    HA   TYR  16           HA       TYR  16  98.795  11.578   4.690
  110    HB2  TYR  16           HB2      TYR  16  97.401  11.168   2.042
  111    HB3  TYR  16           HB1      TYR  16  97.224  10.217   3.510
  112    HD1  TYR  16           HD2      TYR  16  96.508  11.797   5.625
  113    HD2  TYR  16           HD1      TYR  16  95.623  12.531   1.525
  114    HE1  TYR  16           HE2      TYR  16  94.589  13.181   6.291
  115    HE2  TYR  16           HE1      TYR  16  93.702  13.914   2.184
  116    HH   TYR  16           HH       TYR  16  93.261  15.161   5.158
  117    H    HIS  17           HN       HIS  17  99.883   9.606   4.400
  118    HA   HIS  17           HA       HIS  17 101.787   9.612   2.150
  119    HB2  HIS  17           HB2      HIS  17 102.063   8.448   4.927
  120    HB3  HIS  17           HB1      HIS  17 103.230   8.204   3.633
  121    HD1  HIS  17           HD1      HIS  17 105.165   9.453   4.668
  122    HD2  HIS  17           HD2      HIS  17 101.700  11.737   4.457
  123    HE1  HIS  17           HE1      HIS  17 105.858  11.787   5.293
  124    HE2  HIS  17           HE2      HIS  17 103.762  13.169   5.071
  125    H    TYR  18           HN       TYR  18 101.369   8.172   0.638
  126    HA   TYR  18           HA       TYR  18 100.027   5.663   1.389
  127    HB2  TYR  18           HB2      TYR  18  99.006   5.580  -0.741
  128    HB3  TYR  18           HB1      TYR  18  98.830   7.245  -0.201
  129    HD1  TYR  18           HD2      TYR  18 100.222   9.031  -1.225
  130    HD2  TYR  18           HD1      TYR  18 100.284   5.031  -2.678
  131    HE1  TYR  18           HE2      TYR  18 101.260   9.811  -3.313
  132    HE2  TYR  18           HE1      TYR  18 101.322   5.799  -4.768
  133    HH   TYR  18           HH       TYR  18 101.403   7.998  -6.086
  134    H    TYR  19           HN       TYR  19 100.714   3.701   0.403
  135    HA   TYR  19           HA       TYR  19 103.436   3.822  -0.717
  136    HB2  TYR  19           HB2      TYR  19 102.379   1.708   1.170
  137    HB3  TYR  19           HB1      TYR  19 104.006   1.789   0.500
  138    HD1  TYR  19           HD2      TYR  19 105.317   4.008   1.013
  139    HD2  TYR  19           HD1      TYR  19 101.985   2.621   3.268
  140    HE1  TYR  19           HE2      TYR  19 106.031   5.395   2.913
  141    HE2  TYR  19           HE1      TYR  19 102.691   4.007   5.171
  142    HH   TYR  19           HH       TYR  19 104.431   6.445   5.127
  143    H    TYR  20           HN       TYR  20 104.004   2.237  -2.248
  144    HA   TYR  20           HA       TYR  20 101.760   0.674  -3.336
  145    HB2  TYR  20           HB2      TYR  20 101.989   2.604  -4.761
  146    HB3  TYR  20           HB1      TYR  20 103.730   2.378  -4.869
  147    HD1  TYR  20           HD2      TYR  20 104.673   0.622  -6.280
  148    HD2  TYR  20           HD1      TYR  20 100.470   1.256  -6.078
  149    HE1  TYR  20           HE2      TYR  20 104.380  -0.740  -8.301
  150    HE2  TYR  20           HE1      TYR  20 100.162  -0.105  -8.102
  151    HH   TYR  20           HH       TYR  20 102.510  -2.119  -9.343
  152    H    ASP  21           HN       ASP  21 102.241  -1.304  -4.226
  153    HA   ASP  21           HA       ASP  21 104.966  -2.303  -3.713
  154    HB2  ASP  21           HB2      ASP  21 102.674  -3.286  -2.674
  155    HB3  ASP  21           HB1      ASP  21 102.736  -4.216  -4.166
  156    H    LEU  22           HN       LEU  22 106.178  -2.767  -5.429
  157    HA   LEU  22           HA       LEU  22 104.976  -2.808  -8.071
  158    HB2  LEU  22           HB2      LEU  22 107.404  -3.088  -8.808
  159    HB3  LEU  22           HB1      LEU  22 106.942  -1.566  -8.076
  160    HG   LEU  22           HG       LEU  22 108.018  -3.542  -6.180
  161   HD11  LEU  22          HD11      LEU  22 109.407  -4.053  -8.121
  162   HD12  LEU  22          HD12      LEU  22 110.336  -3.221  -6.875
  163   HD13  LEU  22          HD13      LEU  22 109.792  -2.342  -8.304
  164   HD21  LEU  22          HD21      LEU  22 107.512  -0.868  -6.181
  165   HD22  LEU  22          HD22      LEU  22 109.248  -0.899  -6.496
  166   HD23  LEU  22          HD23      LEU  22 108.599  -1.688  -5.059
  167    H    ILE  23           HN       ILE  23 106.326  -5.065  -5.783
  168    HA   ILE  23           HA       ILE  23 106.918  -7.208  -7.473
  169    HB   ILE  23           HB       ILE  23 105.781  -7.450  -4.685
  170   HG12  ILE  23          HG12      ILE  23 108.690  -7.633  -4.992
  171   HG13  ILE  23          HG11      ILE  23 108.052  -6.042  -5.388
  172   HG21  ILE  23          HG21      ILE  23 105.847  -9.614  -5.343
  173   HG22  ILE  23          HG22      ILE  23 107.546  -9.454  -4.900
  174   HG23  ILE  23          HG23      ILE  23 107.059  -9.316  -6.589
  175   HD11  ILE  23          HD11      ILE  23 107.801  -5.549  -3.250
  176   HD12  ILE  23          HD12      ILE  23 108.632  -7.055  -2.863
  177   HD13  ILE  23          HD13      ILE  23 106.872  -7.019  -2.959
  178    H    SER  24           HN       SER  24 103.873  -6.466  -5.768
  179    HA   SER  24           HA       SER  24 102.515  -8.491  -7.400
  180    HB2  SER  24           HB2      SER  24 102.358  -8.095  -4.720
  181    HB3  SER  24           HB1      SER  24 100.995  -7.119  -5.266
  182    HG   SER  24           HG       SER  24 100.183  -9.136  -5.024
  183    H    GLY  25           HN       GLY  25 102.271  -5.071  -6.448
  184    HA2  GLY  25           HA2      GLY  25 101.669  -3.396  -8.061
  185    HA3  GLY  25           HA1      GLY  25 100.697  -4.599  -8.893
  186    H    ALA  26           HN       ALA  26 100.686  -4.063  -5.406
  187    HA   ALA  26           HA       ALA  26  97.942  -3.012  -5.648
  188    HB1  ALA  26           HB1      ALA  26  98.719  -4.519  -3.206
  189    HB2  ALA  26           HB2      ALA  26  98.418  -5.435  -4.683
  190    HB3  ALA  26           HB3      ALA  26  97.157  -4.399  -4.016
  191    H    SER  27           HN       SER  27  97.572  -1.102  -4.720
  192    HA   SER  27           HA       SER  27  99.693   0.262  -3.339
  193    HB2  SER  27           HB2      SER  27  97.579   1.947  -3.084
  194    HB3  SER  27           HB1      SER  27  98.596   1.864  -4.522
  195    HG   SER  27           HG       SER  27  96.060   0.690  -4.084
  196    H    GLN  28           HN       GLN  28  99.571   1.175  -1.229
  197    HA   GLN  28           HA       GLN  28  97.608  -0.057   0.580
  198    HB2  GLN  28           HB2      GLN  28 100.195  -0.924   0.435
  199    HB3  GLN  28           HB1      GLN  28 100.313   0.294   1.697
  200    HG2  GLN  28           HG2      GLN  28  99.914  -1.790   2.750
  201    HG3  GLN  28           HG1      GLN  28  98.428  -0.851   2.866
  202   HE21  GLN  28          HE21      GLN  28  96.600  -1.561   1.847
  203   HE22  GLN  28          HE22      GLN  28  96.486  -3.088   1.049
  204    H    TRP  29           HN       TRP  29  97.639   1.022   2.782
  205    HA   TRP  29           HA       TRP  29  98.267   3.892   2.545
  206    HB2  TRP  29           HB2      TRP  29  95.738   2.587   3.527
  207    HB3  TRP  29           HB1      TRP  29  96.164   4.236   3.971
  208    HD1  TRP  29           HD1      TRP  29  94.706   2.196   1.166
  209    HE1  TRP  29           HE1      TRP  29  94.034   3.747  -0.774
  210    HE3  TRP  29           HE3      TRP  29  96.923   6.515   2.772
  211    HZ2  TRP  29           HZ2      TRP  29  94.395   6.443  -1.525
  212    HZ3  TRP  29           HZ3      TRP  29  96.711   8.535   1.383
  213    HH2  TRP  29           HH2      TRP  29  95.472   8.498  -0.721
  214    H    GLU  30           HN       GLU  30  99.217   1.248   4.095
  215    HA   GLU  30           HA       GLU  30  99.813   2.706   6.568
  216    HB2  GLU  30           HB2      GLU  30  98.174   0.344   6.329
  217    HB3  GLU  30           HB1      GLU  30  99.612  -0.018   7.272
  218    HG2  GLU  30           HG2      GLU  30  99.090   1.611   8.888
  219    HG3  GLU  30           HG1      GLU  30  97.870   2.355   7.855
  220    H    LYS  31           HN       LYS  31 101.924   2.642   7.094
  221    HA   LYS  31           HA       LYS  31 103.794   1.407   5.368
  222    HB2  LYS  31           HB2      LYS  31 104.046   3.499   6.895
  223    HB3  LYS  31           HB1      LYS  31 104.508   2.336   8.131
  224    HG2  LYS  31           HG2      LYS  31 106.249   1.495   6.501
  225    HG3  LYS  31           HG1      LYS  31 105.882   2.919   5.523
  226    HD2  LYS  31           HD2      LYS  31 106.383   3.466   8.369
  227    HD3  LYS  31           HD1      LYS  31 107.769   2.827   7.482
  228    HE2  LYS  31           HE2      LYS  31 107.064   4.632   5.710
  229    HE3  LYS  31           HE1      LYS  31 106.272   5.380   7.096
  230    HZ1  LYS  31           HZ1      LYS  31 109.110   5.081   6.517
  231    HZ2  LYS  31           HZ2      LYS  31 108.657   4.900   8.136
  232    HZ3  LYS  31           HZ3      LYS  31 108.292   6.330   7.311
  233    HA   PRO  32           HA       PRO  32 103.895  -2.658   7.170
  234    HB2  PRO  32           HB2      PRO  32 106.163  -3.557   5.981
  235    HB3  PRO  32           HB1      PRO  32 104.630  -3.394   5.116
  236    HG2  PRO  32           HG2      PRO  32 106.988  -1.549   5.159
  237    HG3  PRO  32           HG1      PRO  32 105.997  -2.064   3.782
  238    HD2  PRO  32           HD2      PRO  32 105.672   0.333   4.997
  239    HD3  PRO  32           HD1      PRO  32 104.324  -0.554   4.259
  240    H    GLU  33           HN       GLU  33 105.660  -4.122   8.218
  241    HA   GLU  33           HA       GLU  33 106.736  -2.700  10.428
  242    HB2  GLU  33           HB2      GLU  33 106.584  -5.517   9.569
  243    HB3  GLU  33           HB1      GLU  33 107.978  -5.124  10.568
  244    HG2  GLU  33           HG2      GLU  33 106.367  -4.081  12.198
  245    HG3  GLU  33           HG1      GLU  33 105.072  -4.804  11.250
  246    H    GLY  34           HN       GLY  34 108.158  -1.154   9.631
  247    HA2  GLY  34           HA2      GLY  34 110.616  -0.914   9.718
  248    HA3  GLY  34           HA1      GLY  34 110.691  -2.227   8.554
  249    H    PHE  35           HN       PHE  35 110.320  -1.822   6.388
  250    HA   PHE  35           HA       PHE  35 110.217  -0.662   4.445
  251    HB2  PHE  35           HB2      PHE  35 108.034   0.111   5.178
  252    HB3  PHE  35           HB1      PHE  35 108.771   1.394   6.130
  253    HD1  PHE  35           HD2      PHE  35 108.479   0.150   2.631
  254    HD2  PHE  35           HD1      PHE  35 109.076   3.489   5.200
  255    HE1  PHE  35           HE2      PHE  35 108.358   1.661   0.692
  256    HE2  PHE  35           HE1      PHE  35 108.955   5.002   3.265
  257    HZ   PHE  35           HZ       PHE  35 108.599   4.088   1.008
  258    H    GLN  36           HN       GLN  36 110.632   2.092   6.706
  259    HA   GLN  36           HA       GLN  36 113.110   2.758   5.259
  260    HB2  GLN  36           HB2      GLN  36 111.141   4.418   6.806
  261    HB3  GLN  36           HB1      GLN  36 112.779   4.995   6.543
  262    HG2  GLN  36           HG2      GLN  36 111.691   4.080   4.062
  263    HG3  GLN  36           HG1      GLN  36 110.567   5.203   4.826
  264   HE21  GLN  36          HE21      GLN  36 112.099   7.021   6.026
  265   HE22  GLN  36          HE22      GLN  36 113.113   7.836   4.890
  266    H    GLY  37           HN       GLY  37 112.957   0.705   7.342
  267    HA2  GLY  37           HA2      GLY  37 114.461   0.013   8.961
  268    HA3  GLY  37           HA1      GLY  37 115.178   1.616   8.934
  269    H    ASP  38           HN       ASP  38 114.563  -0.014  11.246
  270    HA   ASP  38           HA       ASP  38 112.821   1.892  12.634
  271    HB2  ASP  38           HB2      ASP  38 111.997  -0.676  12.012
  272    HB3  ASP  38           HB1      ASP  38 112.565  -0.829  13.671
  273    H    LEU  39           HN       LEU  39 115.728   1.619  12.512
  274    HA   LEU  39           HA       LEU  39 117.574   1.560  13.843
  275    HB2  LEU  39           HB2      LEU  39 115.429   2.406  15.778
  276    HB3  LEU  39           HB1      LEU  39 117.115   2.312  16.250
  277    HG   LEU  39           HG       LEU  39 116.553   3.896  13.815
  278   HD11  LEU  39          HD11      LEU  39 114.810   4.943  14.802
  279   HD12  LEU  39          HD12      LEU  39 116.106   5.834  15.600
  280   HD13  LEU  39          HD13      LEU  39 115.316   4.495  16.431
  281   HD21  LEU  39          HD21      LEU  39 118.196   5.403  14.941
  282   HD22  LEU  39          HD22      LEU  39 118.796   3.773  14.631
  283   HD23  LEU  39          HD23      LEU  39 118.287   4.232  16.256
  284    H    LYS  40           HN       LYS  40 117.030  -0.922  13.332
  285    HA   LYS  40           HA       LYS  40 116.378  -2.600  15.535
  286    HB2  LYS  40           HB2      LYS  40 117.808  -3.197  12.938
  287    HB3  LYS  40           HB1      LYS  40 117.285  -4.424  14.082
  288    HG2  LYS  40           HG2      LYS  40 115.398  -4.511  12.910
  289    HG3  LYS  40           HG1      LYS  40 114.994  -2.955  13.639
  290    HD2  LYS  40           HD2      LYS  40 115.375  -1.817  11.728
  291    HD3  LYS  40           HD1      LYS  40 116.759  -2.818  11.287
  292    HE2  LYS  40           HE2      LYS  40 115.485  -4.326  10.151
  293    HE3  LYS  40           HE1      LYS  40 114.077  -4.079  11.182
  294    HZ1  LYS  40           HZ1      LYS  40 114.982  -2.476   8.878
  295    HZ2  LYS  40           HZ2      LYS  40 113.989  -1.786  10.059
  296    HZ3  LYS  40           HZ3      LYS  40 113.453  -3.129   9.186
  297    H    LYS  41           HN       LYS  41 117.649  -3.563  17.049
  298    HA   LYS  41           HA       LYS  41 120.422  -2.656  17.205
  299    HB2  LYS  41           HB2      LYS  41 120.353  -3.390  19.533
  300    HB3  LYS  41           HB1      LYS  41 119.015  -2.311  19.176
  301    HG2  LYS  41           HG2      LYS  41 117.849  -4.708  18.717
  302    HG3  LYS  41           HG1      LYS  41 119.009  -5.139  19.973
  303    HD2  LYS  41           HD2      LYS  41 117.128  -4.538  21.191
  304    HD3  LYS  41           HD1      LYS  41 118.094  -3.061  21.208
  305    HE2  LYS  41           HE2      LYS  41 116.754  -2.079  19.495
  306    HE3  LYS  41           HE1      LYS  41 115.914  -3.600  19.200
  307    HZ1  LYS  41           HZ1      LYS  41 115.755  -1.990  21.692
  308    HZ2  LYS  41           HZ2      LYS  41 114.951  -3.452  21.414
  309    HZ3  LYS  41           HZ3      LYS  41 114.559  -2.085  20.498
  310    H    THR  42           HN       THR  42 121.699  -3.937  15.974
  311    HA   THR  42           HA       THR  42 122.112  -6.661  16.844
  312    HB   THR  42           HB       THR  42 121.804  -6.480  13.897
  313    HG1  THR  42           HG1      THR  42 119.537  -6.702  15.586
  314   HG21  THR  42          HG21      THR  42 122.063  -8.655  14.181
  315   HG22  THR  42          HG22      THR  42 120.428  -8.678  14.843
  316   HG23  THR  42          HG23      THR  42 121.815  -8.533  15.922
  317    H    ALA  43           HN       ALA  43 124.120  -7.531  16.193
  318    HA   ALA  43           HA       ALA  43 126.059  -5.503  15.349
  319    HB1  ALA  43           HB1      ALA  43 126.642  -8.255  16.427
  320    HB2  ALA  43           HB2      ALA  43 126.402  -6.840  17.451
  321    HB3  ALA  43           HB3      ALA  43 127.745  -6.883  16.308
  322    H    VAL  44           HN       VAL  44 126.184  -5.407  13.167
  323    HA   VAL  44           HA       VAL  44 126.329  -7.926  11.660
  324    HB   VAL  44           HB       VAL  44 124.590  -6.355  10.923
  325   HG11  VAL  44          HG11      VAL  44 125.125  -4.230   9.914
  326   HG12  VAL  44          HG12      VAL  44 126.846  -4.491  10.195
  327   HG13  VAL  44          HG13      VAL  44 125.753  -4.269  11.561
  328   HG21  VAL  44          HG21      VAL  44 125.224  -6.280   8.522
  329   HG22  VAL  44          HG22      VAL  44 125.491  -7.850   9.278
  330   HG23  VAL  44          HG23      VAL  44 126.855  -6.772   8.979
  331    H    LYS  45           HN       LYS  45 128.161  -8.543  10.663
  332    HA   LYS  45           HA       LYS  45 130.594  -7.148  11.179
  333    HB2  LYS  45           HB2      LYS  45 129.970  -9.557   9.463
  334    HB3  LYS  45           HB1      LYS  45 131.598  -8.943   9.712
  335    HG2  LYS  45           HG2      LYS  45 130.805  -9.185  12.271
  336    HG3  LYS  45           HG1      LYS  45 129.844 -10.464  11.527
  337    HD2  LYS  45           HD2      LYS  45 131.661 -11.733  11.041
  338    HD3  LYS  45           HD1      LYS  45 132.691 -10.333  10.736
  339    HE2  LYS  45           HE2      LYS  45 132.223 -10.097  13.410
  340    HE3  LYS  45           HE1      LYS  45 132.236 -11.848  13.211
  341    HZ1  LYS  45           HZ1      LYS  45 134.399  -9.918  12.629
  342    HZ2  LYS  45           HZ2      LYS  45 134.401 -11.469  11.955
  343    HZ3  LYS  45           HZ3      LYS  45 134.441 -11.278  13.635
  344    H    THR  46           HN       THR  46 132.202  -7.068   9.120
  345    HA   THR  46           HA       THR  46 131.383  -4.843   7.614
  346    HB   THR  46           HB       THR  46 133.451  -5.377   6.218
  347    HG1  THR  46           HG1      THR  46 133.620  -7.569   6.523
  348   HG21  THR  46          HG21      THR  46 133.606  -3.859   8.107
  349   HG22  THR  46          HG22      THR  46 135.045  -4.870   7.986
  350   HG23  THR  46          HG23      THR  46 133.818  -5.227   9.200
  351    H    VAL  47           HN       VAL  47 129.714  -4.945   6.246
  352    HA   VAL  47           HA       VAL  47 129.507  -7.228   4.409
  353    HB   VAL  47           HB       VAL  47 127.409  -5.112   4.901
  354   HG11  VAL  47          HG11      VAL  47 126.559  -6.142   3.096
  355   HG12  VAL  47          HG12      VAL  47 126.108  -7.400   4.246
  356   HG13  VAL  47          HG13      VAL  47 127.584  -7.564   3.295
  357   HG21  VAL  47          HG21      VAL  47 127.381  -5.961   6.999
  358   HG22  VAL  47          HG22      VAL  47 128.165  -7.466   6.519
  359   HG23  VAL  47          HG23      VAL  47 126.441  -7.237   6.225
  360    H    TRP  48           HN       TRP  48 131.337  -4.810   4.118
  361    HA   TRP  48           HA       TRP  48 130.345  -3.912   1.491
  362    HB2  TRP  48           HB2      TRP  48 131.996  -2.418   3.528
  363    HB3  TRP  48           HB1      TRP  48 131.795  -1.876   1.867
  364    HD1  TRP  48           HD1      TRP  48 130.018  -1.973   5.203
  365    HE1  TRP  48           HE1      TRP  48 127.797  -0.684   5.019
  366    HE3  TRP  48           HE3      TRP  48 129.884  -1.309   0.136
  367    HZ2  TRP  48           HZ2      TRP  48 126.199   0.462   2.989
  368    HZ3  TRP  48           HZ3      TRP  48 127.975  -0.110  -0.848
  369    HH2  TRP  48           HH2      TRP  48 126.171   0.757   0.551
  370    H    VAL  49           HN       VAL  49 131.758  -3.841  -0.225
  371    HA   VAL  49           HA       VAL  49 134.313  -5.265   0.160
  372    HB   VAL  49           HB       VAL  49 132.917  -5.034  -2.493
  373   HG11  VAL  49          HG11      VAL  49 134.463  -7.421  -1.684
  374   HG12  VAL  49          HG12      VAL  49 135.371  -5.928  -1.913
  375   HG13  VAL  49          HG13      VAL  49 134.398  -6.577  -3.231
  376   HG21  VAL  49          HG21      VAL  49 131.197  -6.018  -1.245
  377   HG22  VAL  49          HG22      VAL  49 132.320  -6.979  -0.283
  378   HG23  VAL  49          HG23      VAL  49 132.041  -7.382  -1.977
  379    H    GLU  50           HN       GLU  50 136.195  -4.379  -0.640
  380    HA   GLU  50           HA       GLU  50 135.986  -1.635  -1.673
  381    HB2  GLU  50           HB2      GLU  50 137.331  -2.178   0.433
  382    HB3  GLU  50           HB1      GLU  50 138.488  -2.961  -0.635
  383    HG2  GLU  50           HG2      GLU  50 137.838  -0.313  -1.574
  384    HG3  GLU  50           HG1      GLU  50 138.406  -0.279   0.093
  385    H    GLY  51           HN       GLY  51 136.367  -1.262  -3.755
  386    HA2  GLY  51           HA2      GLY  51 137.991  -3.225  -5.257
  387    HA3  GLY  51           HA1      GLY  51 136.601  -2.400  -5.941
  388    H    LEU  52           HN       LEU  52 139.301  -2.448  -6.988
  389    HA   LEU  52           HA       LEU  52 140.082   0.371  -6.656
  390    HB2  LEU  52           HB2      LEU  52 141.713  -1.611  -6.209
  391    HB3  LEU  52           HB1      LEU  52 141.823  -1.690  -7.957
  392    HG   LEU  52           HG       LEU  52 142.570   0.687  -7.974
  393   HD11  LEU  52          HD11      LEU  52 141.971   1.816  -6.115
  394   HD12  LEU  52          HD12      LEU  52 143.527   1.237  -5.520
  395   HD13  LEU  52          HD13      LEU  52 142.046   0.382  -5.089
  396   HD21  LEU  52          HD21      LEU  52 144.304  -0.862  -8.175
  397   HD22  LEU  52          HD22      LEU  52 144.130  -1.415  -6.510
  398   HD23  LEU  52          HD23      LEU  52 144.817   0.174  -6.843
  399    H    SER  53           HN       SER  53 139.780   1.732  -8.285
  400    HA   SER  53           HA       SER  53 139.316   0.637 -10.981
  401    HB2  SER  53           HB2      SER  53 137.549   2.122  -9.395
  402    HB3  SER  53           HB1      SER  53 138.164   3.266 -10.588
  403    HG   SER  53           HG       SER  53 137.384   2.014 -12.206
  404    H    GLU  54           HN       GLU  54 140.044   1.890 -12.766
  405    HA   GLU  54           HA       GLU  54 142.591   2.875 -12.660
  406    HB2  GLU  54           HB2      GLU  54 140.746   2.523 -14.650
  407    HB3  GLU  54           HB1      GLU  54 140.922   4.274 -14.636
  408    HG2  GLU  54           HG2      GLU  54 142.669   3.960 -15.966
  409    HG3  GLU  54           HG1      GLU  54 143.523   3.403 -14.530
  410    H    ASP  55           HN       ASP  55 143.525   4.964 -12.802
  411    HA   ASP  55           HA       ASP  55 143.876   7.122 -12.219
  412    HB2  ASP  55           HB2      ASP  55 141.001   7.100 -12.887
  413    HB3  ASP  55           HB1      ASP  55 141.525   8.436 -11.870
  414    H    GLY  56           HN       GLY  56 142.828   4.879 -10.192
  415    HA2  GLY  56           HA2      GLY  56 142.971   4.735  -7.897
  416    HA3  GLY  56           HA1      GLY  56 143.411   6.432  -7.863
  417    H    PHE  57           HN       PHE  57 140.504   4.584  -8.808
  418    HA   PHE  57           HA       PHE  57 138.928   6.398  -7.096
  419    HB2  PHE  57           HB2      PHE  57 138.110   5.005  -9.656
  420    HB3  PHE  57           HB1      PHE  57 137.007   5.897  -8.616
  421    HD1  PHE  57           HD1      PHE  57 138.247   8.333  -7.952
  422    HD2  PHE  57           HD2      PHE  57 138.568   6.131 -11.579
  423    HE1  PHE  57           HE1      PHE  57 138.812  10.404  -9.155
  424    HE2  PHE  57           HE2      PHE  57 139.135   8.193 -12.788
  425    HZ   PHE  57           HZ       PHE  57 139.257  10.336 -11.577
  426    H    THR  58           HN       THR  58 138.969   5.152  -5.240
  427    HA   THR  58           HA       THR  58 138.433   2.350  -5.250
  428    HB   THR  58           HB       THR  58 138.102   4.118  -2.840
  429    HG1  THR  58           HG1      THR  58 140.565   3.228  -3.937
  430   HG21  THR  58          HG21      THR  58 139.664   1.895  -2.244
  431   HG22  THR  58          HG22      THR  58 138.370   1.291  -3.279
  432   HG23  THR  58          HG23      THR  58 137.980   2.172  -1.803
  433    H    TYR  59           HN       TYR  59 136.540   1.394  -5.486
  434    HA   TYR  59           HA       TYR  59 134.091   2.885  -4.816
  435    HB2  TYR  59           HB2      TYR  59 132.932   1.712  -6.537
  436    HB3  TYR  59           HB1      TYR  59 134.441   2.276  -7.243
  437    HD1  TYR  59           HD1      TYR  59 136.187   0.702  -7.872
  438    HD2  TYR  59           HD2      TYR  59 132.530  -0.648  -6.168
  439    HE1  TYR  59           HE1      TYR  59 136.702  -1.589  -8.599
  440    HE2  TYR  59           HE2      TYR  59 133.030  -2.941  -6.887
  441    HH   TYR  59           HH       TYR  59 134.698  -3.886  -9.001
  442    H    TYR  60           HN       TYR  60 132.445   1.845  -3.664
  443    HA   TYR  60           HA       TYR  60 133.239  -0.701  -2.406
  444    HB2  TYR  60           HB2      TYR  60 131.572   1.454  -1.103
  445    HB3  TYR  60           HB1      TYR  60 132.237   0.014  -0.343
  446    HD1  TYR  60           HD1      TYR  60 134.973  -0.105  -0.850
  447    HD2  TYR  60           HD2      TYR  60 132.594   3.400  -0.439
  448    HE1  TYR  60           HE1      TYR  60 136.970   1.169  -0.191
  449    HE2  TYR  60           HE2      TYR  60 134.585   4.681   0.219
  450    HH   TYR  60           HH       TYR  60 137.196   4.392  -0.238
  451    H    TYR  61           HN       TYR  61 131.717  -2.286  -2.142
  452    HA   TYR  61           HA       TYR  61 129.033  -1.761  -3.241
  453    HB2  TYR  61           HB2      TYR  61 130.338  -3.001  -4.886
  454    HB3  TYR  61           HB1      TYR  61 130.766  -4.204  -3.677
  455    HD1  TYR  61           HD2      TYR  61 127.787  -2.722  -5.380
  456    HD2  TYR  61           HD1      TYR  61 129.492  -6.133  -3.491
  457    HE1  TYR  61           HE2      TYR  61 125.818  -4.053  -6.019
  458    HE2  TYR  61           HE1      TYR  61 127.531  -7.474  -4.127
  459    HH   TYR  61           HH       TYR  61 125.651  -7.070  -6.287
  460    H    ASN  62           HN       ASN  62 127.336  -3.152  -2.426
  461    HA   ASN  62           HA       ASN  62 127.917  -4.163   0.280
  462    HB2  ASN  62           HB2      ASN  62 126.298  -2.130  -0.215
  463    HB3  ASN  62           HB1      ASN  62 125.150  -3.415  -0.571
  464   HD21  ASN  62          HD21      ASN  62 123.825  -3.504   1.105
  465   HD22  ASN  62          HD22      ASN  62 124.303  -3.600   2.762
  466    H    THR  63           HN       THR  63 127.612  -6.263   0.666
  467    HA   THR  63           HA       THR  63 126.377  -7.911  -1.407
  468    HB   THR  63           HB       THR  63 127.400  -9.806  -0.251
  469    HG1  THR  63           HG1      THR  63 128.064  -9.653   1.728
  470   HG21  THR  63          HG21      THR  63 129.241  -7.482  -0.701
  471   HG22  THR  63          HG22      THR  63 128.890  -8.826  -1.788
  472   HG23  THR  63          HG23      THR  63 129.809  -9.105  -0.309
  473    H    GLU  64           HN       GLU  64 124.714  -6.273   0.389
  474    HA   GLU  64           HA       GLU  64 123.166  -8.438   1.655
  475    HB2  GLU  64           HB2      GLU  64 124.206  -6.798   3.263
  476    HB3  GLU  64           HB1      GLU  64 123.212  -5.544   2.534
  477    HG2  GLU  64           HG2      GLU  64 121.279  -6.342   3.455
  478    HG3  GLU  64           HG1      GLU  64 121.878  -7.997   3.552
  479    H    THR  65           HN       THR  65 122.849  -5.135   0.356
  480    HA   THR  65           HA       THR  65 120.118  -5.730  -0.509
  481    HB   THR  65           HB       THR  65 120.078  -3.255  -1.039
  482    HG1  THR  65           HG1      THR  65 121.869  -2.198  -0.912
  483   HG21  THR  65          HG21      THR  65 120.898  -3.370   1.791
  484   HG22  THR  65          HG22      THR  65 119.568  -4.422   1.306
  485   HG23  THR  65          HG23      THR  65 119.454  -2.681   1.049
  486    H    GLY  66           HN       GLY  66 123.311  -4.989  -1.788
  487    HA2  GLY  66           HA2      GLY  66 124.092  -5.631  -3.906
  488    HA3  GLY  66           HA1      GLY  66 122.432  -5.862  -4.426
  489    H    GLU  67           HN       GLU  67 124.550  -3.210  -3.316
  490    HA   GLU  67           HA       GLU  67 123.868  -1.691  -5.699
  491    HB2  GLU  67           HB2      GLU  67 122.342  -1.255  -3.476
  492    HB3  GLU  67           HB1      GLU  67 123.619  -0.069  -3.249
  493    HG2  GLU  67           HG2      GLU  67 123.033   1.123  -5.132
  494    HG3  GLU  67           HG1      GLU  67 122.236  -0.258  -5.885
  495    H    SER  68           HN       SER  68 125.588  -0.628  -6.438
  496    HA   SER  68           HA       SER  68 128.042  -0.656  -4.921
  497    HB2  SER  68           HB2      SER  68 128.697   0.733  -7.148
  498    HB3  SER  68           HB1      SER  68 128.646  -1.028  -7.088
  499    HG   SER  68           HG       SER  68 126.699   0.757  -8.103
  500    H    ARG  69           HN       ARG  69 129.283   1.168  -4.351
  501    HA   ARG  69           HA       ARG  69 127.877   3.749  -4.367
  502    HB2  ARG  69           HB2      ARG  69 128.153   2.138  -2.111
  503    HB3  ARG  69           HB1      ARG  69 129.420   3.345  -1.940
  504    HG2  ARG  69           HG2      ARG  69 127.725   4.447  -0.915
  505    HG3  ARG  69           HG1      ARG  69 127.443   4.982  -2.573
  506    HD2  ARG  69           HD2      ARG  69 126.048   2.622  -2.458
  507    HD3  ARG  69           HD1      ARG  69 125.810   3.287  -0.842
  508    HE   ARG  69           HE       ARG  69 125.276   5.391  -2.450
  509   HH11  ARG  69          HH11      ARG  69 124.104   2.090  -2.392
  510   HH12  ARG  69          HH12      ARG  69 122.554   2.498  -3.048
  511   HH21  ARG  69          HH21      ARG  69 123.228   5.919  -3.314
  512   HH22  ARG  69          HH22      ARG  69 122.059   4.667  -3.571
  513    H    TRP  70           HN       TRP  70 129.262   5.608  -4.072
  514    HA   TRP  70           HA       TRP  70 132.100   5.081  -4.662
  515    HB2  TRP  70           HB2      TRP  70 130.297   7.148  -5.936
  516    HB3  TRP  70           HB1      TRP  70 132.049   7.135  -6.112
  517    HD1  TRP  70           HD1      TRP  70 128.907   5.320  -7.278
  518    HE1  TRP  70           HE1      TRP  70 129.518   3.760  -9.230
  519    HE3  TRP  70           HE3      TRP  70 134.002   5.741  -7.097
  520    HZ2  TRP  70           HZ2      TRP  70 131.847   2.830 -10.524
  521    HZ3  TRP  70           HZ3      TRP  70 135.347   4.483  -8.728
  522    HH2  TRP  70           HH2      TRP  70 134.290   3.057 -10.406
  523    H    GLU  71           HN       GLU  71 130.607   5.764  -2.145
  524    HA   GLU  71           HA       GLU  71 132.343   7.954  -1.314
  525    HB2  GLU  71           HB2      GLU  71 129.336   7.975  -1.130
  526    HB3  GLU  71           HB1      GLU  71 130.322   8.890   0.001
  527    HG2  GLU  71           HG2      GLU  71 130.362  10.551  -1.454
  528    HG3  GLU  71           HG1      GLU  71 131.305   9.531  -2.538
  529    H    LYS  72           HN       LYS  72 133.208   7.596   0.661
  530    HA   LYS  72           HA       LYS  72 132.844   5.126   1.966
  531    HB2  LYS  72           HB2      LYS  72 134.834   6.845   2.009
  532    HB3  LYS  72           HB1      LYS  72 133.987   7.488   3.409
  533    HG2  LYS  72           HG2      LYS  72 134.173   5.394   4.559
  534    HG3  LYS  72           HG1      LYS  72 134.839   4.614   3.123
  535    HD2  LYS  72           HD2      LYS  72 136.810   5.058   4.142
  536    HD3  LYS  72           HD1      LYS  72 136.586   6.643   3.399
  537    HE2  LYS  72           HE2      LYS  72 136.935   7.358   5.517
  538    HE3  LYS  72           HE1      LYS  72 135.211   7.026   5.669
  539    HZ1  LYS  72           HZ1      LYS  72 135.586   5.150   6.894
  540    HZ2  LYS  72           HZ2      LYS  72 136.905   6.084   7.391
  541    HZ3  LYS  72           HZ3      LYS  72 137.120   4.866   6.236
  542    HA   PRO  73           HA       PRO  73 129.233   6.049   4.401
  543    HB2  PRO  73           HB2      PRO  73 129.333   3.932   6.090
  544    HB3  PRO  73           HB1      PRO  73 128.838   3.781   4.400
  545    HG2  PRO  73           HG2      PRO  73 131.492   3.187   5.654
  546    HG3  PRO  73           HG1      PRO  73 130.591   2.253   4.445
  547    HD2  PRO  73           HD2      PRO  73 132.661   3.884   3.799
  548    HD3  PRO  73           HD1      PRO  73 131.294   3.585   2.707
  549    H    ASP  74           HN       ASP  74 129.747   7.910   5.500
  550    HA   ASP  74           HA       ASP  74 130.157   9.231   7.291
  551    HB2  ASP  74           HB2      ASP  74 129.379   6.824   8.418
  552    HB3  ASP  74           HB1      ASP  74 130.896   7.183   9.238
  553    H    ASP  75           HN       ASP  75 131.936   9.571   9.122
  554    HA   ASP  75           HA       ASP  75 134.439   9.608   7.706
  555    HB2  ASP  75           HB2      ASP  75 133.336  10.871  10.140
  556    HB3  ASP  75           HB1      ASP  75 135.069  10.560  10.177
  Start of MODEL    3
    1    H1   ASP   1           HT1      ASP   1 111.139 -10.319  -0.576
    2    H2   ASP   1           HT2      ASP   1 111.625 -11.951  -0.786
    3    H3   ASP   1           HT3      ASP   1 112.111 -10.756  -1.918
    4    HA   ASP   1           HA       ASP   1 112.971 -11.113   0.867
    5    HB2  ASP   1           HB2      ASP   1 114.014 -11.718  -1.774
    6    HB3  ASP   1           HB1      ASP   1 115.117 -10.668  -0.890
    7    HA   PRO   2           HA       PRO   2 112.617  -6.537   0.374
    8    HB2  PRO   2           HB2      PRO   2 112.386  -6.685   3.313
    9    HB3  PRO   2           HB1      PRO   2 111.318  -5.908   2.141
   10    HG2  PRO   2           HG2      PRO   2 110.584  -8.143   3.408
   11    HG3  PRO   2           HG1      PRO   2 110.155  -7.867   1.708
   12    HD2  PRO   2           HD2      PRO   2 112.367  -9.545   2.852
   13    HD3  PRO   2           HD1      PRO   2 111.226  -9.932   1.545
   14    H    SER   3           HN       SER   3 114.961  -6.965  -0.181
   15    HA   SER   3           HA       SER   3 116.725  -6.232   2.061
   16    HB2  SER   3           HB2      SER   3 116.997  -8.387   0.394
   17    HB3  SER   3           HB1      SER   3 117.997  -7.187  -0.423
   18    HG   SER   3           HG       SER   3 118.812  -8.636   1.475
   19    H    LYS   4           HN       LYS   4 116.184  -5.733  -1.401
   20    HA   LYS   4           HA       LYS   4 116.804  -2.911  -1.131
   21    HB2  LYS   4           HB2      LYS   4 118.545  -4.857  -2.561
   22    HB3  LYS   4           HB1      LYS   4 118.265  -3.310  -3.345
   23    HG2  LYS   4           HG2      LYS   4 119.014  -2.221  -1.198
   24    HG3  LYS   4           HG1      LYS   4 119.531  -3.824  -0.672
   25    HD2  LYS   4           HD2      LYS   4 121.320  -3.838  -2.044
   26    HD3  LYS   4           HD1      LYS   4 120.447  -3.047  -3.356
   27    HE2  LYS   4           HE2      LYS   4 121.575  -1.692  -0.906
   28    HE3  LYS   4           HE1      LYS   4 122.272  -1.649  -2.524
   29    HZ1  LYS   4           HZ1      LYS   4 119.869  -0.749  -3.088
   30    HZ2  LYS   4           HZ2      LYS   4 121.104   0.280  -2.565
   31    HZ3  LYS   4           HZ3      LYS   4 119.931  -0.254  -1.471
   32    H    GLY   5           HN       GLY   5 114.350  -3.905  -1.545
   33    HA2  GLY   5           HA2      GLY   5 113.690  -4.252  -4.311
   34    HA3  GLY   5           HA1      GLY   5 112.553  -4.036  -2.990
   35    H    ARG   6           HN       ARG   6 111.512  -2.792  -4.828
   36    HA   ARG   6           HA       ARG   6 112.397   0.007  -4.667
   37    HB2  ARG   6           HB2      ARG   6 111.353  -1.445  -7.103
   38    HB3  ARG   6           HB1      ARG   6 111.511   0.303  -7.001
   39    HG2  ARG   6           HG2      ARG   6 114.001  -0.751  -6.233
   40    HG3  ARG   6           HG1      ARG   6 113.487  -1.663  -7.653
   41    HD2  ARG   6           HD2      ARG   6 114.810   0.326  -8.239
   42    HD3  ARG   6           HD1      ARG   6 113.180   0.380  -8.905
   43    HE   ARG   6           HE       ARG   6 112.989   1.747  -6.551
   44   HH11  ARG   6          HH11      ARG   6 115.043   2.025  -9.372
   45   HH12  ARG   6          HH12      ARG   6 115.215   3.742  -9.232
   46   HH21  ARG   6          HH21      ARG   6 113.212   4.024  -6.381
   47   HH22  ARG   6          HH22      ARG   6 114.178   4.873  -7.540
   48    H    TRP   7           HN       TRP   7 110.957   0.510  -3.065
   49    HA   TRP   7           HA       TRP   7 108.096   0.197  -3.661
   50    HB2  TRP   7           HB2      TRP   7 109.546   0.704  -1.055
   51    HB3  TRP   7           HB1      TRP   7 107.794   0.707  -1.219
   52    HD1  TRP   7           HD1      TRP   7 110.801  -1.666  -1.255
   53    HE1  TRP   7           HE1      TRP   7 109.951  -4.075  -0.952
   54    HE3  TRP   7           HE3      TRP   7 105.773  -0.797  -1.570
   55    HZ2  TRP   7           HZ2      TRP   7 107.475  -5.429  -0.858
   56    HZ3  TRP   7           HZ3      TRP   7 104.232  -2.703  -1.364
   57    HH2  TRP   7           HH2      TRP   7 105.067  -4.971  -1.015
   58    H    VAL   8           HN       VAL   8 106.742   1.964  -3.719
   59    HA   VAL   8           HA       VAL   8 108.053   4.604  -3.611
   60    HB   VAL   8           HB       VAL   8 107.343   3.945  -5.885
   61   HG11  VAL   8          HG11      VAL   8 105.195   2.795  -4.735
   62   HG12  VAL   8          HG12      VAL   8 105.281   3.232  -6.441
   63   HG13  VAL   8          HG13      VAL   8 104.481   4.307  -5.295
   64   HG21  VAL   8          HG21      VAL   8 105.695   6.005  -6.145
   65   HG22  VAL   8          HG22      VAL   8 107.410   6.222  -5.800
   66   HG23  VAL   8          HG23      VAL   8 106.228   6.322  -4.495
   67    H    GLU   9           HN       GLU   9 107.105   6.232  -2.443
   68    HA   GLU   9           HA       GLU   9 104.952   5.433  -0.651
   69    HB2  GLU   9           HB2      GLU   9 106.936   6.533   0.309
   70    HB3  GLU   9           HB1      GLU   9 106.622   7.958  -0.673
   71    HG2  GLU   9           HG2      GLU   9 104.723   8.534   0.548
   72    HG3  GLU   9           HG1      GLU   9 104.566   6.922   1.241
   73    H    GLY  10           HN       GLY  10 102.923   6.164  -0.719
   74    HA2  GLY  10           HA2      GLY  10 102.304   8.399  -2.537
   75    HA3  GLY  10           HA1      GLY  10 101.388   6.903  -2.614
   76    H    ILE  11           HN       ILE  11 100.567   9.689  -1.995
   77    HA   ILE  11           HA       ILE  11  99.619   9.385   0.770
   78    HB   ILE  11           HB       ILE  11  99.396  11.838  -0.974
   79   HG12  ILE  11          HG12      ILE  11 101.766  11.264  -0.674
   80   HG13  ILE  11          HG11      ILE  11 101.349  12.720   0.222
   81   HG21  ILE  11          HG21      ILE  11  99.409  12.772   1.526
   82   HG22  ILE  11          HG22      ILE  11  98.715  11.179   1.828
   83   HG23  ILE  11          HG23      ILE  11  97.933  12.282   0.695
   84   HD11  ILE  11          HD11      ILE  11 102.616  11.616   1.760
   85   HD12  ILE  11          HD12      ILE  11 102.088  10.022   1.220
   86   HD13  ILE  11          HD13      ILE  11 101.013  11.026   2.194
   87    H    THR  12           HN       THR  12  97.449   9.351   1.281
   88    HA   THR  12           HA       THR  12  95.549   9.376  -0.966
   89    HB   THR  12           HB       THR  12  94.770   7.635   1.259
   90    HG1  THR  12           HG1      THR  12  96.521   6.513   1.357
   91   HG21  THR  12          HG21      THR  12  93.456   7.447  -0.644
   92   HG22  THR  12          HG22      THR  12  94.492   6.020  -0.689
   93   HG23  THR  12          HG23      THR  12  94.854   7.406  -1.718
   94    H    SER  13           HN       SER  13  93.290   9.764  -0.298
   95    HA   SER  13           HA       SER  13  92.937  12.129   1.046
   96    HB2  SER  13           HB2      SER  13  90.947   9.872   0.731
   97    HB3  SER  13           HB1      SER  13  90.530  11.514   1.223
   98    HG   SER  13           HG       SER  13  90.703  10.631  -1.214
   99    H    GLU  14           HN       GLU  14  92.155  12.744   3.079
  100    HA   GLU  14           HA       GLU  14  91.723  12.624   5.324
  101    HB2  GLU  14           HB2      GLU  14  91.042  10.097   4.643
  102    HB3  GLU  14           HB1      GLU  14  92.439   9.772   5.660
  103    HG2  GLU  14           HG2      GLU  14  90.077  11.436   6.496
  104    HG3  GLU  14           HG1      GLU  14  90.285   9.727   6.871
  105    H    GLY  15           HN       GLY  15  94.381  10.383   4.442
  106    HA2  GLY  15           HA2      GLY  15  96.617  11.625   4.899
  107    HA3  GLY  15           HA1      GLY  15  96.018  11.615   6.551
  108    H    TYR  16           HN       TYR  16  96.083   9.186   3.939
  109    HA   TYR  16           HA       TYR  16  97.399   7.339   5.824
  110    HB2  TYR  16           HB2      TYR  16  95.685   6.515   3.478
  111    HB3  TYR  16           HB1      TYR  16  96.254   5.509   4.804
  112    HD1  TYR  16           HD1      TYR  16  95.502   6.590   7.222
  113    HD2  TYR  16           HD2      TYR  16  93.440   6.987   3.520
  114    HE1  TYR  16           HE1      TYR  16  93.407   7.006   8.438
  115    HE2  TYR  16           HE2      TYR  16  91.340   7.404   4.728
  116    HH   TYR  16           HH       TYR  16  90.868   6.708   7.895
  117    H    HIS  17           HN       HIS  17  99.326   6.525   5.245
  118    HA   HIS  17           HA       HIS  17 100.361   7.238   2.604
  119    HB2  HIS  17           HB2      HIS  17 101.688   6.361   5.165
  120    HB3  HIS  17           HB1      HIS  17 102.563   6.437   3.640
  121    HD1  HIS  17           HD1      HIS  17 104.052   8.411   3.984
  122    HD2  HIS  17           HD2      HIS  17 100.106   9.216   5.015
  123    HE1  HIS  17           HE1      HIS  17 103.974  10.875   4.477
  124    HE2  HIS  17           HE2      HIS  17 101.593  11.326   5.165
  125    H    TYR  18           HN       TYR  18 100.264   5.802   1.030
  126    HA   TYR  18           HA       TYR  18 100.285   2.940   1.716
  127    HB2  TYR  18           HB2      TYR  18  98.963   2.496  -0.203
  128    HB3  TYR  18           HB1      TYR  18  98.230   3.894   0.570
  129    HD1  TYR  18           HD2      TYR  18  98.371   6.108  -0.474
  130    HD2  TYR  18           HD1      TYR  18 100.019   2.673  -2.366
  131    HE1  TYR  18           HE2      TYR  18  98.499   7.346  -2.593
  132    HE2  TYR  18           HE1      TYR  18 100.153   3.901  -4.492
  133    HH   TYR  18           HH       TYR  18  98.617   6.219  -5.378
  134    H    TYR  19           HN       TYR  19 101.501   1.493   0.409
  135    HA   TYR  19           HA       TYR  19 103.623   2.793  -1.174
  136    HB2  TYR  19           HB2      TYR  19 103.915   0.412   0.672
  137    HB3  TYR  19           HB1      TYR  19 105.190   1.075  -0.345
  138    HD1  TYR  19           HD2      TYR  19 105.660   3.652   0.035
  139    HD2  TYR  19           HD1      TYR  19 103.811   1.088   2.882
  140    HE1  TYR  19           HE2      TYR  19 106.303   5.196   1.834
  141    HE2  TYR  19           HE1      TYR  19 104.448   2.627   4.691
  142    HH   TYR  19           HH       TYR  19 106.669   5.187   4.234
  143    H    TYR  20           HN       TYR  20 104.425   1.641  -2.969
  144    HA   TYR  20           HA       TYR  20 102.950  -0.779  -3.729
  145    HB2  TYR  20           HB2      TYR  20 101.752   0.952  -4.854
  146    HB3  TYR  20           HB1      TYR  20 103.240   1.731  -5.379
  147    HD1  TYR  20           HD1      TYR  20 100.910  -1.030  -5.990
  148    HD2  TYR  20           HD2      TYR  20 104.491   0.877  -7.276
  149    HE1  TYR  20           HE1      TYR  20 100.813  -2.284  -8.102
  150    HE2  TYR  20           HE2      TYR  20 104.408  -0.369  -9.390
  151    HH   TYR  20           HH       TYR  20 101.699  -1.957 -10.482
  152    H    ASP  21           HN       ASP  21 104.019  -2.189  -5.120
  153    HA   ASP  21           HA       ASP  21 106.903  -1.669  -5.453
  154    HB2  ASP  21           HB2      ASP  21 106.034  -3.619  -3.958
  155    HB3  ASP  21           HB1      ASP  21 105.685  -4.418  -5.486
  156    H    LEU  22           HN       LEU  22 107.588  -1.404  -7.477
  157    HA   LEU  22           HA       LEU  22 105.828  -1.903  -9.701
  158    HB2  LEU  22           HB2      LEU  22 107.870  -1.121 -11.041
  159    HB3  LEU  22           HB1      LEU  22 107.061   0.036 -10.006
  160    HG   LEU  22           HG       LEU  22 109.316  -1.380  -8.740
  161   HD11  LEU  22          HD11      LEU  22 110.277  -1.175 -10.929
  162   HD12  LEU  22          HD12      LEU  22 110.986   0.056  -9.885
  163   HD13  LEU  22          HD13      LEU  22 109.744   0.500 -11.056
  164   HD21  LEU  22          HD21      LEU  22 109.430   0.506  -7.515
  165   HD22  LEU  22          HD22      LEU  22 107.803   0.777  -8.143
  166   HD23  LEU  22          HD23      LEU  22 109.188   1.557  -8.911
  167    H    ILE  23           HN       ILE  23 108.677  -3.438  -8.331
  168    HA   ILE  23           HA       ILE  23 109.362  -5.091 -10.495
  169    HB   ILE  23           HB       ILE  23 109.665  -5.771  -7.566
  170   HG12  ILE  23          HG12      ILE  23 112.023  -4.728  -8.931
  171   HG13  ILE  23          HG11      ILE  23 110.706  -3.559  -8.893
  172   HG21  ILE  23          HG21      ILE  23 110.674  -6.953 -10.083
  173   HG22  ILE  23          HG22      ILE  23 110.293  -7.716  -8.540
  174   HG23  ILE  23          HG23      ILE  23 111.814  -6.848  -8.742
  175   HD11  ILE  23          HD11      ILE  23 110.750  -3.376  -6.618
  176   HD12  ILE  23          HD12      ILE  23 112.455  -3.669  -6.963
  177   HD13  ILE  23          HD13      ILE  23 111.432  -4.986  -6.389
  178    H    SER  24           HN       SER  24 107.402  -5.867  -7.615
  179    HA   SER  24           HA       SER  24 106.483  -8.332  -8.821
  180    HB2  SER  24           HB2      SER  24 106.971  -8.244  -6.408
  181    HB3  SER  24           HB1      SER  24 105.707  -7.033  -6.197
  182    HG   SER  24           HG       SER  24 105.249  -9.627  -7.253
  183    H    GLY  25           HN       GLY  25 105.191  -5.119  -8.120
  184    HA2  GLY  25           HA2      GLY  25 103.439  -4.061  -9.246
  185    HA3  GLY  25           HA1      GLY  25 103.020  -5.595  -9.994
  186    H    ALA  26           HN       ALA  26 103.343  -4.657  -6.570
  187    HA   ALA  26           HA       ALA  26 100.479  -5.201  -6.210
  188    HB1  ALA  26           HB1      ALA  26 102.276  -6.169  -4.064
  189    HB2  ALA  26           HB2      ALA  26 102.228  -7.109  -5.556
  190    HB3  ALA  26           HB3      ALA  26 100.744  -6.821  -4.646
  191    H    SER  27           HN       SER  27  99.454  -4.019  -4.633
  192    HA   SER  27           HA       SER  27 100.956  -1.738  -3.582
  193    HB2  SER  27           HB2      SER  27  98.022  -1.908  -3.154
  194    HB3  SER  27           HB1      SER  27  99.013  -0.533  -3.639
  195    HG   SER  27           HG       SER  27  97.702  -2.398  -5.182
  196    H    GLN  28           HN       GLN  28 101.077  -1.243  -1.409
  197    HA   GLN  28           HA       GLN  28  99.925  -3.167   0.494
  198    HB2  GLN  28           HB2      GLN  28 102.547  -3.266  -0.192
  199    HB3  GLN  28           HB1      GLN  28 102.617  -2.126   1.144
  200    HG2  GLN  28           HG2      GLN  28 101.756  -3.699   2.668
  201    HG3  GLN  28           HG1      GLN  28 101.247  -4.786   1.377
  202   HE21  GLN  28          HE21      GLN  28 104.270  -3.124   2.254
  203   HE22  GLN  28          HE22      GLN  28 105.264  -4.534   2.167
  204    H    TRP  29           HN       TRP  29 100.075  -2.335   2.792
  205    HA   TRP  29           HA       TRP  29  99.863   0.604   2.880
  206    HB2  TRP  29           HB2      TRP  29  98.043  -1.420   4.188
  207    HB3  TRP  29           HB1      TRP  29  98.028   0.299   4.563
  208    HD1  TRP  29           HD1      TRP  29  97.150  -2.153   1.747
  209    HE1  TRP  29           HE1      TRP  29  95.546  -0.982   0.112
  210    HE3  TRP  29           HE3      TRP  29  97.290   2.568   3.709
  211    HZ2  TRP  29           HZ2      TRP  29  94.479   1.598  -0.293
  212    HZ3  TRP  29           HZ3      TRP  29  95.948   4.329   2.636
  213    HH2  TRP  29           HH2      TRP  29  94.572   3.852   0.676
  214    H    GLU  30           HN       GLU  30 101.743  -1.809   3.865
  215    HA   GLU  30           HA       GLU  30 102.263  -0.595   6.496
  216    HB2  GLU  30           HB2      GLU  30 102.116  -3.457   5.669
  217    HB3  GLU  30           HB1      GLU  30 103.334  -3.012   6.856
  218    HG2  GLU  30           HG2      GLU  30 100.638  -1.975   7.384
  219    HG3  GLU  30           HG1      GLU  30 100.804  -3.729   7.453
  220    H    LYS  31           HN       LYS  31 104.250   0.245   6.731
  221    HA   LYS  31           HA       LYS  31 106.073   0.380   4.602
  222    HB2  LYS  31           HB2      LYS  31 105.797   1.912   6.681
  223    HB3  LYS  31           HB1      LYS  31 106.897   0.786   7.463
  224    HG2  LYS  31           HG2      LYS  31 108.539   1.222   5.648
  225    HG3  LYS  31           HG1      LYS  31 107.447   2.457   5.020
  226    HD2  LYS  31           HD2      LYS  31 108.491   2.475   7.846
  227    HD3  LYS  31           HD1      LYS  31 109.322   3.277   6.511
  228    HE2  LYS  31           HE2      LYS  31 107.994   5.044   6.731
  229    HE3  LYS  31           HE1      LYS  31 106.583   4.032   6.428
  230    HZ1  LYS  31           HZ1      LYS  31 106.578   3.476   8.819
  231    HZ2  LYS  31           HZ2      LYS  31 106.331   5.124   8.526
  232    HZ3  LYS  31           HZ3      LYS  31 107.839   4.579   9.064
  233    HA   PRO  32           HA       PRO  32 107.804  -3.741   5.239
  234    HB2  PRO  32           HB2      PRO  32 109.399  -3.712   3.034
  235    HB3  PRO  32           HB1      PRO  32 107.671  -4.077   2.977
  236    HG2  PRO  32           HG2      PRO  32 109.089  -1.523   2.342
  237    HG3  PRO  32           HG1      PRO  32 107.732  -2.293   1.500
  238    HD2  PRO  32           HD2      PRO  32 107.409  -0.208   3.206
  239    HD3  PRO  32           HD1      PRO  32 106.179  -1.465   2.977
  240    H    GLU  33           HN       GLU  33 109.779  -4.532   5.975
  241    HA   GLU  33           HA       GLU  33 111.514  -2.641   7.170
  242    HB2  GLU  33           HB2      GLU  33 110.995  -5.286   7.600
  243    HB3  GLU  33           HB1      GLU  33 112.578  -5.368   6.838
  244    HG2  GLU  33           HG2      GLU  33 113.110  -5.231   9.070
  245    HG3  GLU  33           HG1      GLU  33 113.238  -3.553   8.550
  246    H    GLY  34           HN       GLY  34 112.351  -1.313   5.598
  247    HA2  GLY  34           HA2      GLY  34 114.746  -1.340   4.635
  248    HA3  GLY  34           HA1      GLY  34 114.066  -2.539   3.547
  249    H    PHE  35           HN       PHE  35 112.757   0.536   4.786
  250    HA   PHE  35           HA       PHE  35 112.443   1.424   1.991
  251    HB2  PHE  35           HB2      PHE  35 110.305   0.916   3.207
  252    HB3  PHE  35           HB1      PHE  35 110.701   2.203   4.337
  253    HD1  PHE  35           HD2      PHE  35 110.512   1.723   0.635
  254    HD2  PHE  35           HD1      PHE  35 109.670   4.213   3.983
  255    HE1  PHE  35           HE2      PHE  35 109.439   3.359  -0.854
  256    HE2  PHE  35           HE1      PHE  35 108.595   5.851   2.497
  257    HZ   PHE  35           HZ       PHE  35 108.479   5.426   0.075
  258    H    GLN  36           HN       GLN  36 112.812   2.621   5.330
  259    HA   GLN  36           HA       GLN  36 114.417   4.848   4.260
  260    HB2  GLN  36           HB2      GLN  36 112.666   5.004   6.720
  261    HB3  GLN  36           HB1      GLN  36 113.555   6.317   5.965
  262    HG2  GLN  36           HG2      GLN  36 111.584   4.934   4.264
  263    HG3  GLN  36           HG1      GLN  36 110.939   5.887   5.598
  264   HE21  GLN  36          HE21      GLN  36 111.582   6.032   2.439
  265   HE22  GLN  36          HE22      GLN  36 111.930   7.715   2.264
  266    H    GLY  37           HN       GLY  37 115.683   5.877   6.243
  267    HA2  GLY  37           HA2      GLY  37 117.342   3.737   7.263
  268    HA3  GLY  37           HA1      GLY  37 117.628   5.462   7.448
  269    H    ASP  38           HN       ASP  38 115.267   2.998   8.494
  270    HA   ASP  38           HA       ASP  38 114.594   4.418  10.880
  271    HB2  ASP  38           HB2      ASP  38 113.660   2.070   9.485
  272    HB3  ASP  38           HB1      ASP  38 113.844   1.719  11.199
  273    H    LEU  39           HN       LEU  39 116.461   4.775  12.047
  274    HA   LEU  39           HA       LEU  39 118.357   2.775  12.671
  275    HB2  LEU  39           HB2      LEU  39 119.071   4.415  14.474
  276    HB3  LEU  39           HB1      LEU  39 119.141   4.970  12.815
  277    HG   LEU  39           HG       LEU  39 116.620   5.620  14.179
  278   HD11  LEU  39          HD11      LEU  39 117.873   7.599  15.307
  279   HD12  LEU  39          HD12      LEU  39 119.258   6.508  15.266
  280   HD13  LEU  39          HD13      LEU  39 117.790   6.038  16.123
  281   HD21  LEU  39          HD21      LEU  39 117.779   6.425  11.912
  282   HD22  LEU  39          HD22      LEU  39 118.422   7.656  12.999
  283   HD23  LEU  39          HD23      LEU  39 116.679   7.450  12.835
  284    H    LYS  40           HN       LYS  40 118.014   1.042  13.862
  285    HA   LYS  40           HA       LYS  40 115.942   1.023  15.905
  286    HB2  LYS  40           HB2      LYS  40 117.735  -1.273  15.126
  287    HB3  LYS  40           HB1      LYS  40 116.170  -1.350  15.921
  288    HG2  LYS  40           HG2      LYS  40 115.088  -0.558  13.873
  289    HG3  LYS  40           HG1      LYS  40 116.660  -0.477  13.077
  290    HD2  LYS  40           HD2      LYS  40 116.301  -2.578  12.420
  291    HD3  LYS  40           HD1      LYS  40 116.568  -3.051  14.098
  292    HE2  LYS  40           HE2      LYS  40 114.360  -3.396  14.493
  293    HE3  LYS  40           HE1      LYS  40 113.854  -2.098  13.414
  294    HZ1  LYS  40           HZ1      LYS  40 113.814  -3.471  11.624
  295    HZ2  LYS  40           HZ2      LYS  40 113.484  -4.623  12.817
  296    HZ3  LYS  40           HZ3      LYS  40 115.051  -4.475  12.198
  297    H    LYS  41           HN       LYS  41 116.482  -0.199  17.988
  298    HA   LYS  41           HA       LYS  41 118.762   1.114  19.210
  299    HB2  LYS  41           HB2      LYS  41 116.329   0.763  20.170
  300    HB3  LYS  41           HB1      LYS  41 116.987  -0.779  20.699
  301    HG2  LYS  41           HG2      LYS  41 118.650   1.557  21.338
  302    HG3  LYS  41           HG1      LYS  41 117.076   1.510  22.136
  303    HD2  LYS  41           HD2      LYS  41 117.697  -0.160  23.489
  304    HD3  LYS  41           HD1      LYS  41 118.438  -1.066  22.168
  305    HE2  LYS  41           HE2      LYS  41 120.498  -0.273  22.609
  306    HE3  LYS  41           HE1      LYS  41 119.905   1.344  22.985
  307    HZ1  LYS  41           HZ1      LYS  41 120.677   0.603  25.008
  308    HZ2  LYS  41           HZ2      LYS  41 120.168  -0.990  24.761
  309    HZ3  LYS  41           HZ3      LYS  41 119.035   0.212  25.121
  310    H    THR  42           HN       THR  42 120.631   0.108  18.622
  311    HA   THR  42           HA       THR  42 121.195  -2.451  19.820
  312    HB   THR  42           HB       THR  42 122.137  -2.700  17.123
  313    HG1  THR  42           HG1      THR  42 120.421  -1.539  16.383
  314   HG21  THR  42          HG21      THR  42 120.292  -4.278  18.867
  315   HG22  THR  42          HG22      THR  42 121.918  -4.677  18.310
  316   HG23  THR  42          HG23      THR  42 120.563  -4.717  17.181
  317    H    ALA  43           HN       ALA  43 123.556  -3.120  19.196
  318    HA   ALA  43           HA       ALA  43 125.195  -0.692  19.426
  319    HB1  ALA  43           HB1      ALA  43 125.239  -2.529  21.198
  320    HB2  ALA  43           HB2      ALA  43 126.791  -1.951  20.592
  321    HB3  ALA  43           HB3      ALA  43 126.131  -3.481  20.013
  322    H    VAL  44           HN       VAL  44 124.166  -1.985  16.889
  323    HA   VAL  44           HA       VAL  44 126.744  -2.544  15.586
  324    HB   VAL  44           HB       VAL  44 123.997  -3.164  14.488
  325   HG11  VAL  44          HG11      VAL  44 126.303  -2.963  13.121
  326   HG12  VAL  44          HG12      VAL  44 125.011  -4.082  12.693
  327   HG13  VAL  44          HG13      VAL  44 126.396  -4.651  13.623
  328   HG21  VAL  44          HG21      VAL  44 125.706  -4.671  16.378
  329   HG22  VAL  44          HG22      VAL  44 124.981  -5.594  15.061
  330   HG23  VAL  44          HG23      VAL  44 123.955  -4.684  16.169
  331    H    LYS  45           HN       LYS  45 127.567  -0.928  14.413
  332    HA   LYS  45           HA       LYS  45 125.726   1.094  13.311
  333    HB2  LYS  45           HB2      LYS  45 128.517   1.267  14.386
  334    HB3  LYS  45           HB1      LYS  45 127.979   2.437  13.188
  335    HG2  LYS  45           HG2      LYS  45 126.605   3.492  14.631
  336    HG3  LYS  45           HG1      LYS  45 126.166   2.002  15.471
  337    HD2  LYS  45           HD2      LYS  45 128.151   2.029  16.757
  338    HD3  LYS  45           HD1      LYS  45 128.883   3.268  15.735
  339    HE2  LYS  45           HE2      LYS  45 128.149   4.229  17.840
  340    HE3  LYS  45           HE1      LYS  45 127.207   4.883  16.503
  341    HZ1  LYS  45           HZ1      LYS  45 125.459   3.234  17.071
  342    HZ2  LYS  45           HZ2      LYS  45 125.736   4.373  18.291
  343    HZ3  LYS  45           HZ3      LYS  45 126.349   2.806  18.445
  344    H    THR  46           HN       THR  46 125.321   0.657  11.228
  345    HA   THR  46           HA       THR  46 127.608   0.126   9.453
  346    HB   THR  46           HB       THR  46 125.014  -1.122   8.734
  347    HG1  THR  46           HG1      THR  46 126.690  -2.214  10.748
  348   HG21  THR  46          HG21      THR  46 127.875  -1.625   8.271
  349   HG22  THR  46          HG22      THR  46 126.491  -1.810   7.193
  350   HG23  THR  46          HG23      THR  46 126.836  -3.044   8.406
  351    H    VAL  47           HN       VAL  47 127.449   0.945   7.343
  352    HA   VAL  47           HA       VAL  47 125.106   2.582   6.696
  353    HB   VAL  47           HB       VAL  47 127.901   3.694   6.439
  354   HG11  VAL  47          HG11      VAL  47 126.640   4.820   4.881
  355   HG12  VAL  47          HG12      VAL  47 126.404   5.836   6.303
  356   HG13  VAL  47          HG13      VAL  47 125.157   4.686   5.825
  357   HG21  VAL  47          HG21      VAL  47 127.401   3.489   8.794
  358   HG22  VAL  47          HG22      VAL  47 125.823   4.238   8.557
  359   HG23  VAL  47          HG23      VAL  47 127.292   5.184   8.319
  360    H    TRP  48           HN       TRP  48 128.333   1.623   5.491
  361    HA   TRP  48           HA       TRP  48 127.569   1.817   2.752
  362    HB2  TRP  48           HB2      TRP  48 129.946   0.474   4.051
  363    HB3  TRP  48           HB1      TRP  48 129.749   0.686   2.316
  364    HD1  TRP  48           HD1      TRP  48 130.314   2.751   5.520
  365    HE1  TRP  48           HE1      TRP  48 131.370   5.001   4.854
  366    HE3  TRP  48           HE3      TRP  48 130.038   2.303   0.435
  367    HZ2  TRP  48           HZ2      TRP  48 132.004   6.401   2.485
  368    HZ3  TRP  48           HZ3      TRP  48 130.890   4.144  -0.960
  369    HH2  TRP  48           HH2      TRP  48 131.852   6.149   0.046
  370    H    VAL  49           HN       VAL  49 127.041   0.235   1.286
  371    HA   VAL  49           HA       VAL  49 126.366  -2.409   2.406
  372    HB   VAL  49           HB       VAL  49 124.384  -1.095   1.739
  373   HG11  VAL  49          HG11      VAL  49 125.223   0.272  -0.015
  374   HG12  VAL  49          HG12      VAL  49 123.988  -0.770  -0.721
  375   HG13  VAL  49          HG13      VAL  49 125.695  -1.132  -0.972
  376   HG21  VAL  49          HG21      VAL  49 124.354  -3.551   1.623
  377   HG22  VAL  49          HG22      VAL  49 124.882  -3.470  -0.057
  378   HG23  VAL  49          HG23      VAL  49 123.310  -2.819   0.405
  379    H    GLU  50           HN       GLU  50 126.870  -4.259   1.219
  380    HA   GLU  50           HA       GLU  50 128.917  -3.871  -0.835
  381    HB2  GLU  50           HB2      GLU  50 129.463  -5.338   1.052
  382    HB3  GLU  50           HB1      GLU  50 128.081  -6.357   0.676
  383    HG2  GLU  50           HG2      GLU  50 129.090  -6.971  -1.448
  384    HG3  GLU  50           HG1      GLU  50 130.460  -5.914  -1.116
  385    H    GLY  51           HN       GLY  51 128.454  -4.072  -2.922
  386    HA2  GLY  51           HA2      GLY  51 126.080  -5.658  -3.692
  387    HA3  GLY  51           HA1      GLY  51 126.561  -4.185  -4.515
  388    H    LEU  52           HN       LEU  52 126.140  -6.679  -5.807
  389    HA   LEU  52           HA       LEU  52 128.884  -7.424  -6.573
  390    HB2  LEU  52           HB2      LEU  52 126.901  -9.084  -5.733
  391    HB3  LEU  52           HB1      LEU  52 126.669  -9.146  -7.471
  392    HG   LEU  52           HG       LEU  52 129.416  -9.465  -7.143
  393   HD11  LEU  52          HD11      LEU  52 129.864 -10.873  -5.407
  394   HD12  LEU  52          HD12      LEU  52 128.207 -11.469  -5.311
  395   HD13  LEU  52          HD13      LEU  52 128.609  -9.876  -4.670
  396   HD21  LEU  52          HD21      LEU  52 128.576 -10.767  -8.792
  397   HD22  LEU  52          HD22      LEU  52 127.104 -11.147  -7.899
  398   HD23  LEU  52          HD23      LEU  52 128.606 -11.987  -7.519
  399    H    SER  53           HN       SER  53 129.581  -6.962  -8.552
  400    HA   SER  53           HA       SER  53 127.637  -5.965 -10.516
  401    HB2  SER  53           HB2      SER  53 130.432  -5.229  -9.826
  402    HB3  SER  53           HB1      SER  53 129.972  -5.120 -11.525
  403    HG   SER  53           HG       SER  53 128.367  -3.681 -10.986
  404    H    GLU  54           HN       GLU  54 127.852  -6.557 -12.718
  405    HA   GLU  54           HA       GLU  54 128.080  -9.196 -13.316
  406    HB2  GLU  54           HB2      GLU  54 127.617  -6.894 -14.776
  407    HB3  GLU  54           HB1      GLU  54 129.058  -7.562 -15.531
  408    HG2  GLU  54           HG2      GLU  54 127.937  -9.633 -15.977
  409    HG3  GLU  54           HG1      GLU  54 126.526  -9.117 -15.056
  410    H    ASP  55           HN       ASP  55 129.594 -10.563 -14.253
  411    HA   ASP  55           HA       ASP  55 131.635 -11.406 -14.842
  412    HB2  ASP  55           HB2      ASP  55 132.141  -8.911 -15.496
  413    HB3  ASP  55           HB1      ASP  55 133.096  -8.926 -14.019
  414    H    GLY  56           HN       GLY  56 131.858  -9.258 -11.988
  415    HA2  GLY  56           HA2      GLY  56 131.852 -10.828  -9.905
  416    HA3  GLY  56           HA1      GLY  56 133.376 -11.352 -10.601
  417    H    PHE  57           HN       PHE  57 131.819  -8.181 -10.079
  418    HA   PHE  57           HA       PHE  57 134.264  -7.324  -8.669
  419    HB2  PHE  57           HB2      PHE  57 132.482  -5.531 -10.327
  420    HB3  PHE  57           HB1      PHE  57 134.032  -5.120  -9.609
  421    HD1  PHE  57           HD2      PHE  57 136.008  -6.772 -10.392
  422    HD2  PHE  57           HD1      PHE  57 132.449  -5.941 -12.574
  423    HE1  PHE  57           HE2      PHE  57 137.138  -7.421 -12.479
  424    HE2  PHE  57           HE1      PHE  57 133.572  -6.590 -14.663
  425    HZ   PHE  57           HZ       PHE  57 135.921  -7.330 -14.617
  426    H    THR  58           HN       THR  58 133.982  -6.457  -6.679
  427    HA   THR  58           HA       THR  58 131.236  -6.248  -5.700
  428    HB   THR  58           HB       THR  58 133.623  -5.903  -3.930
  429    HG1  THR  58           HG1      THR  58 133.881  -8.112  -3.800
  430   HG21  THR  58          HG21      THR  58 130.857  -6.983  -3.625
  431   HG22  THR  58          HG22      THR  58 131.681  -5.734  -2.692
  432   HG23  THR  58          HG23      THR  58 132.133  -7.426  -2.492
  433    H    TYR  59           HN       TYR  59 130.259  -4.362  -5.560
  434    HA   TYR  59           HA       TYR  59 131.892  -1.920  -5.378
  435    HB2  TYR  59           HB2      TYR  59 130.226  -0.735  -6.596
  436    HB3  TYR  59           HB1      TYR  59 130.521  -2.229  -7.472
  437    HD1  TYR  59           HD1      TYR  59 128.827  -4.015  -7.491
  438    HD2  TYR  59           HD2      TYR  59 128.098  -0.286  -5.574
  439    HE1  TYR  59           HE1      TYR  59 126.419  -4.509  -7.456
  440    HE2  TYR  59           HE2      TYR  59 125.690  -0.771  -5.532
  441    HH   TYR  59           HH       TYR  59 124.266  -3.041  -5.561
  442    H    TYR  60           HN       TYR  60 131.300  -0.293  -3.929
  443    HA   TYR  60           HA       TYR  60 129.304  -1.090  -1.906
  444    HB2  TYR  60           HB2      TYR  60 131.811   0.522  -1.390
  445    HB3  TYR  60           HB1      TYR  60 130.678  -0.086  -0.190
  446    HD1  TYR  60           HD2      TYR  60 130.367  -2.721  -0.211
  447    HD2  TYR  60           HD1      TYR  60 133.755  -0.674  -1.776
  448    HE1  TYR  60           HE2      TYR  60 131.705  -4.772   0.014
  449    HE2  TYR  60           HE1      TYR  60 135.100  -2.720  -1.553
  450    HH   TYR  60           HH       TYR  60 134.508  -5.317  -1.505
  451    H    TYR  61           HN       TYR  61 127.901   0.465  -1.133
  452    HA   TYR  61           HA       TYR  61 128.053   3.118  -2.416
  453    HB2  TYR  61           HB2      TYR  61 126.274   1.816  -3.441
  454    HB3  TYR  61           HB1      TYR  61 125.602   1.434  -1.861
  455    HD1  TYR  61           HD1      TYR  61 126.255   4.251  -4.199
  456    HD2  TYR  61           HD2      TYR  61 124.015   2.848  -0.862
  457    HE1  TYR  61           HE1      TYR  61 124.809   6.235  -4.339
  458    HE2  TYR  61           HE2      TYR  61 122.565   4.829  -0.995
  459    HH   TYR  61           HH       TYR  61 122.653   7.127  -1.882
  460    H    ASN  62           HN       ASN  62 127.300   4.911  -1.221
  461    HA   ASN  62           HA       ASN  62 127.142   4.437   1.686
  462    HB2  ASN  62           HB2      ASN  62 129.111   5.774   0.681
  463    HB3  ASN  62           HB1      ASN  62 127.935   7.056   0.425
  464   HD21  ASN  62          HD21      ASN  62 129.140   8.376   1.854
  465   HD22  ASN  62          HD22      ASN  62 129.021   8.167   3.565
  466    H    THR  63           HN       THR  63 125.376   5.103   2.771
  467    HA   THR  63           HA       THR  63 123.182   6.262   1.275
  468    HB   THR  63           HB       THR  63 121.888   5.924   3.352
  469    HG1  THR  63           HG1      THR  63 123.309   6.162   4.977
  470   HG21  THR  63          HG21      THR  63 121.866   3.549   3.410
  471   HG22  THR  63          HG22      THR  63 123.495   3.461   2.740
  472   HG23  THR  63          HG23      THR  63 122.162   4.049   1.746
  473    H    GLU  64           HN       GLU  64 125.525   7.308   3.655
  474    HA   GLU  64           HA       GLU  64 124.229   9.575   4.651
  475    HB2  GLU  64           HB2      GLU  64 127.201   9.459   4.190
  476    HB3  GLU  64           HB1      GLU  64 126.323  10.262   5.478
  477    HG2  GLU  64           HG2      GLU  64 125.632   7.954   6.254
  478    HG3  GLU  64           HG1      GLU  64 126.840   7.334   5.132
  479    H    THR  65           HN       THR  65 126.787   9.498   2.149
  480    HA   THR  65           HA       THR  65 126.007  12.146   1.250
  481    HB   THR  65           HB       THR  65 127.916  11.850  -0.368
  482    HG1  THR  65           HG1      THR  65 128.631   9.913  -0.625
  483   HG21  THR  65          HG21      THR  65 128.569  11.414   2.536
  484   HG22  THR  65          HG22      THR  65 128.371  12.964   1.719
  485   HG23  THR  65          HG23      THR  65 129.720  11.909   1.295
  486    H    GLY  66           HN       GLY  66 126.077   8.845  -0.058
  487    HA2  GLY  66           HA2      GLY  66 124.412   7.972  -1.496
  488    HA3  GLY  66           HA1      GLY  66 123.977   9.610  -1.953
  489    H    GLU  67           HN       GLU  67 127.058   7.806  -1.976
  490    HA   GLU  67           HA       GLU  67 127.185   8.205  -4.883
  491    HB2  GLU  67           HB2      GLU  67 128.527   9.953  -3.658
  492    HB3  GLU  67           HB1      GLU  67 129.546   8.655  -3.050
  493    HG2  GLU  67           HG2      GLU  67 129.769   8.075  -5.604
  494    HG3  GLU  67           HG1      GLU  67 129.315   9.765  -5.802
  495    H    SER  68           HN       SER  68 128.102   6.566  -6.035
  496    HA   SER  68           HA       SER  68 128.448   4.051  -4.663
  497    HB2  SER  68           HB2      SER  68 129.102   3.493  -7.243
  498    HB3  SER  68           HB1      SER  68 127.447   3.520  -6.635
  499    HG   SER  68           HG       SER  68 128.832   5.535  -8.059
  500    H    ARG  69           HN       ARG  69 130.317   2.895  -4.420
  501    HA   ARG  69           HA       ARG  69 132.829   4.129  -5.324
  502    HB2  ARG  69           HB2      ARG  69 132.035   4.327  -2.755
  503    HB3  ARG  69           HB1      ARG  69 132.841   2.767  -2.688
  504    HG2  ARG  69           HG2      ARG  69 134.487   4.304  -2.100
  505    HG3  ARG  69           HG1      ARG  69 134.822   3.930  -3.791
  506    HD2  ARG  69           HD2      ARG  69 133.234   6.014  -4.187
  507    HD3  ARG  69           HD1      ARG  69 133.776   6.431  -2.562
  508    HE   ARG  69           HE       ARG  69 135.318   6.523  -4.982
  509   HH11  ARG  69          HH11      ARG  69 135.494   6.225  -1.496
  510   HH12  ARG  69          HH12      ARG  69 137.116   6.819  -1.402
  511   HH21  ARG  69          HH21      ARG  69 137.463   7.299  -4.851
  512   HH22  ARG  69          HH22      ARG  69 138.234   7.429  -3.306
  513    H    TRP  70           HN       TRP  70 134.653   2.628  -5.425
  514    HA   TRP  70           HA       TRP  70 133.824  -0.193  -5.647
  515    HB2  TRP  70           HB2      TRP  70 135.649   1.324  -7.531
  516    HB3  TRP  70           HB1      TRP  70 135.334  -0.407  -7.606
  517    HD1  TRP  70           HD1      TRP  70 133.602   2.971  -8.206
  518    HE1  TRP  70           HE1      TRP  70 131.554   2.584  -9.714
  519    HE3  TRP  70           HE3      TRP  70 133.659  -2.141  -8.361
  520    HZ2  TRP  70           HZ2      TRP  70 130.149   0.402 -10.825
  521    HZ3  TRP  70           HZ3      TRP  70 131.927  -3.300  -9.670
  522    HH2  TRP  70           HH2      TRP  70 130.209  -2.052 -10.876
  523    H    GLU  71           HN       GLU  71 135.183   1.291  -3.473
  524    HA   GLU  71           HA       GLU  71 137.473  -0.494  -3.173
  525    HB2  GLU  71           HB2      GLU  71 137.572   2.509  -3.082
  526    HB3  GLU  71           HB1      GLU  71 138.677   1.563  -2.096
  527    HG2  GLU  71           HG2      GLU  71 139.965   1.036  -3.838
  528    HG3  GLU  71           HG1      GLU  71 138.583   0.688  -4.874
  529    H    LYS  72           HN       LYS  72 137.532  -1.371  -1.175
  530    HA   LYS  72           HA       LYS  72 135.457  -1.084   0.655
  531    HB2  LYS  72           HB2      LYS  72 138.079  -2.415   0.611
  532    HB3  LYS  72           HB1      LYS  72 137.501  -2.018   2.222
  533    HG2  LYS  72           HG2      LYS  72 135.367  -3.198   1.645
  534    HG3  LYS  72           HG1      LYS  72 136.151  -3.738   0.159
  535    HD2  LYS  72           HD2      LYS  72 137.953  -4.747   1.565
  536    HD3  LYS  72           HD1      LYS  72 136.997  -4.340   2.991
  537    HE2  LYS  72           HE2      LYS  72 136.134  -6.398   2.729
  538    HE3  LYS  72           HE1      LYS  72 135.154  -5.643   1.474
  539    HZ1  LYS  72           HZ1      LYS  72 136.365  -6.600  -0.178
  540    HZ2  LYS  72           HZ2      LYS  72 136.582  -7.786   1.007
  541    HZ3  LYS  72           HZ3      LYS  72 137.799  -6.648   0.719
  542    HA   PRO  73           HA       PRO  73 136.721   2.928   2.342
  543    HB2  PRO  73           HB2      PRO  73 134.273   2.581   3.954
  544    HB3  PRO  73           HB1      PRO  73 134.716   3.885   2.848
  545    HG2  PRO  73           HG2      PRO  73 132.818   2.106   2.212
  546    HG3  PRO  73           HG1      PRO  73 133.925   2.761   0.990
  547    HD2  PRO  73           HD2      PRO  73 134.000   0.106   2.384
  548    HD3  PRO  73           HD1      PRO  73 134.284   0.488   0.671
  549    H    ASP  74           HN       ASP  74 137.067   3.775   4.556
  550    HA   ASP  74           HA       ASP  74 137.821   3.658   6.700
  551    HB2  ASP  74           HB2      ASP  74 135.812   1.801   6.694
  552    HB3  ASP  74           HB1      ASP  74 137.190   0.824   7.187
  553    H    ASP  75           HN       ASP  75 139.384   2.215   8.118
  554    HA   ASP  75           HA       ASP  75 141.520   1.362   6.297
  555    HB2  ASP  75           HB2      ASP  75 141.560   2.251   9.184
  556    HB3  ASP  75           HB1      ASP  75 142.966   1.569   8.373
  Start of MODEL    4
    1    H1   ASP   1           HT1      ASP   1 107.202  -9.442  19.427
    2    H2   ASP   1           HT2      ASP   1 105.661  -9.498  20.181
    3    H3   ASP   1           HT3      ASP   1 106.225  -8.035  19.483
    4    HA   ASP   1           HA       ASP   1 105.601 -10.531  18.052
    5    HB2  ASP   1           HB2      ASP   1 103.689  -9.167  19.037
    6    HB3  ASP   1           HB1      ASP   1 104.172  -7.869  17.949
    7    HA   PRO   2           HA       PRO   2 108.654  -8.276  15.464
    8    HB2  PRO   2           HB2      PRO   2 109.567 -10.483  14.182
    9    HB3  PRO   2           HB1      PRO   2 110.151  -9.993  15.776
   10    HG2  PRO   2           HG2      PRO   2 108.115 -12.068  15.061
   11    HG3  PRO   2           HG1      PRO   2 109.424 -12.150  16.254
   12    HD2  PRO   2           HD2      PRO   2 106.852 -11.651  16.940
   13    HD3  PRO   2           HD1      PRO   2 108.229 -10.976  17.833
   14    H    SER   3           HN       SER   3 108.233  -7.410  13.521
   15    HA   SER   3           HA       SER   3 106.912  -8.892  11.435
   16    HB2  SER   3           HB2      SER   3 105.171  -7.740  13.129
   17    HB3  SER   3           HB1      SER   3 105.474  -6.367  12.065
   18    HG   SER   3           HG       SER   3 104.430  -8.911  11.409
   19    H    LYS   4           HN       LYS   4 108.821  -8.432  10.293
   20    HA   LYS   4           HA       LYS   4 109.593  -5.678   9.855
   21    HB2  LYS   4           HB2      LYS   4 111.368  -6.669   8.400
   22    HB3  LYS   4           HB1      LYS   4 111.393  -7.241  10.061
   23    HG2  LYS   4           HG2      LYS   4 109.769  -8.984   8.463
   24    HG3  LYS   4           HG1      LYS   4 111.350  -8.767   7.710
   25    HD2  LYS   4           HD2      LYS   4 112.171  -9.137  10.206
   26    HD3  LYS   4           HD1      LYS   4 110.635  -9.998  10.319
   27    HE2  LYS   4           HE2      LYS   4 112.621 -10.527   8.123
   28    HE3  LYS   4           HE1      LYS   4 112.688 -11.361   9.675
   29    HZ1  LYS   4           HZ1      LYS   4 111.390 -12.808   8.541
   30    HZ2  LYS   4           HZ2      LYS   4 110.757 -11.634   7.502
   31    HZ3  LYS   4           HZ3      LYS   4 110.158 -11.780   9.078
   32    H    GLY   5           HN       GLY   5 108.040  -4.641   8.695
   33    HA2  GLY   5           HA2      GLY   5 106.767  -5.787   6.403
   34    HA3  GLY   5           HA1      GLY   5 106.647  -4.117   6.934
   35    H    ARG   6           HN       ARG   6 107.764  -6.130   4.536
   36    HA   ARG   6           HA       ARG   6 109.875  -4.282   3.672
   37    HB2  ARG   6           HB2      ARG   6 109.154  -7.035   2.647
   38    HB3  ARG   6           HB1      ARG   6 110.491  -6.052   2.066
   39    HG2  ARG   6           HG2      ARG   6 110.917  -6.169   4.792
   40    HG3  ARG   6           HG1      ARG   6 110.320  -7.780   4.391
   41    HD2  ARG   6           HD2      ARG   6 112.690  -7.827   4.178
   42    HD3  ARG   6           HD1      ARG   6 112.015  -7.852   2.549
   43    HE   ARG   6           HE       ARG   6 112.550  -5.192   3.304
   44   HH11  ARG   6          HH11      ARG   6 114.230  -8.136   2.431
   45   HH12  ARG   6          HH12      ARG   6 115.611  -7.306   1.798
   46   HH21  ARG   6          HH21      ARG   6 114.373  -4.104   2.462
   47   HH22  ARG   6          HH22      ARG   6 115.692  -5.020   1.817
   48    H    TRP   7           HN       TRP   7 108.755  -2.591   2.775
   49    HA   TRP   7           HA       TRP   7 107.101  -3.234   0.420
   50    HB2  TRP   7           HB2      TRP   7 106.732  -0.913   2.328
   51    HB3  TRP   7           HB1      TRP   7 105.756  -1.236   0.898
   52    HD1  TRP   7           HD1      TRP   7 106.523  -2.782   4.358
   53    HE1  TRP   7           HE1      TRP   7 104.497  -4.200   5.069
   54    HE3  TRP   7           HE3      TRP   7 103.710  -2.370   0.109
   55    HZ2  TRP   7           HZ2      TRP   7 102.031  -5.033   3.975
   56    HZ3  TRP   7           HZ3      TRP   7 101.530  -3.507   0.022
   57    HH2  TRP   7           HH2      TRP   7 100.709  -4.810   1.917
   58    H    VAL   8           HN       VAL   8 107.346  -1.979  -1.405
   59    HA   VAL   8           HA       VAL   8 109.679  -0.176  -1.407
   60    HB   VAL   8           HB       VAL   8 110.011  -2.193  -2.771
   61   HG11  VAL   8          HG11      VAL   8 108.359  -1.671  -5.005
   62   HG12  VAL   8          HG12      VAL   8 107.325  -1.688  -3.578
   63   HG13  VAL   8          HG13      VAL   8 108.347  -3.076  -3.941
   64   HG21  VAL   8          HG21      VAL   8 109.718  -0.130  -4.863
   65   HG22  VAL   8          HG22      VAL   8 111.127  -1.079  -4.391
   66   HG23  VAL   8          HG23      VAL   8 110.654   0.329  -3.441
   67    H    GLU   9           HN       GLU   9 109.479   1.865  -2.240
   68    HA   GLU   9           HA       GLU   9 106.766   2.787  -2.754
   69    HB2  GLU   9           HB2      GLU   9 108.154   4.065  -1.191
   70    HB3  GLU   9           HB1      GLU   9 109.344   4.341  -2.456
   71    HG2  GLU   9           HG2      GLU   9 107.801   5.686  -3.699
   72    HG3  GLU   9           HG1      GLU   9 106.492   5.289  -2.589
   73    H    GLY  10           HN       GLY  10 105.979   3.345  -4.680
   74    HA2  GLY  10           HA2      GLY  10 107.856   3.709  -6.921
   75    HA3  GLY  10           HA1      GLY  10 106.504   2.598  -7.076
   76    H    ILE  11           HN       ILE  11 107.172   5.042  -8.598
   77    HA   ILE  11           HA       ILE  11 104.999   6.865  -7.876
   78    HB   ILE  11           HB       ILE  11 106.946   7.178 -10.157
   79   HG12  ILE  11          HG12      ILE  11 108.206   6.967  -8.061
   80   HG13  ILE  11          HG11      ILE  11 108.281   8.611  -8.683
   81   HG21  ILE  11          HG21      ILE  11 105.386   8.757 -10.598
   82   HG22  ILE  11          HG22      ILE  11 106.338   9.669  -9.428
   83   HG23  ILE  11          HG23      ILE  11 104.853   8.864  -8.920
   84   HD11  ILE  11          HD11      ILE  11 106.901   9.436  -7.008
   85   HD12  ILE  11          HD12      ILE  11 107.927   8.270  -6.175
   86   HD13  ILE  11          HD13      ILE  11 106.271   7.840  -6.604
   87    H    THR  12           HN       THR  12 103.255   7.323  -9.210
   88    HA   THR  12           HA       THR  12 102.930   5.616 -11.584
   89    HB   THR  12           HB       THR  12 100.399   5.734 -10.884
   90    HG1  THR  12           HG1      THR  12 101.686   5.937  -8.365
   91   HG21  THR  12          HG21      THR  12 100.714   3.568 -10.709
   92   HG22  THR  12          HG22      THR  12 101.318   3.800  -9.069
   93   HG23  THR  12          HG23      THR  12 102.438   3.808 -10.432
   94    H    SER  13           HN       SER  13 101.276   6.410 -13.110
   95    HA   SER  13           HA       SER  13 101.732   8.921 -14.066
   96    HB2  SER  13           HB2      SER  13  99.072   7.496 -14.276
   97    HB3  SER  13           HB1      SER  13  99.722   8.693 -15.397
   98    HG   SER  13           HG       SER  13 100.252   6.011 -15.191
   99    H    GLU  14           HN       GLU  14 100.578  10.908 -14.076
  100    HA   GLU  14           HA       GLU  14  99.332  12.628 -13.267
  101    HB2  GLU  14           HB2      GLU  14  98.146  10.822 -11.172
  102    HB3  GLU  14           HB1      GLU  14  97.499  12.315 -11.824
  103    HG2  GLU  14           HG2      GLU  14  97.887   9.963 -13.618
  104    HG3  GLU  14           HG1      GLU  14  96.489  10.043 -12.550
  105    H    GLY  15           HN       GLY  15 100.337  10.504 -10.564
  106    HA2  GLY  15           HA2      GLY  15 102.449  11.570  -9.491
  107    HA3  GLY  15           HA1      GLY  15 101.332  12.888  -9.164
  108    H    TYR  16           HN       TYR  16 101.077   9.336  -8.934
  109    HA   TYR  16           HA       TYR  16 100.195   9.688  -6.142
  110    HB2  TYR  16           HB2      TYR  16  99.487   7.341  -7.903
  111    HB3  TYR  16           HB1      TYR  16  98.761   7.800  -6.370
  112    HD1  TYR  16           HD1      TYR  16  97.920  10.458  -6.538
  113    HD2  TYR  16           HD2      TYR  16  98.068   7.598  -9.688
  114    HE1  TYR  16           HE1      TYR  16  96.164  11.693  -7.737
  115    HE2  TYR  16           HE2      TYR  16  96.314   8.827 -10.893
  116    HH   TYR  16           HH       TYR  16  95.484  11.307 -10.917
  117    H    HIS  17           HN       HIS  17 100.871   8.133  -4.596
  118    HA   HIS  17           HA       HIS  17 103.345   6.739  -5.372
  119    HB2  HIS  17           HB2      HIS  17 102.443   7.860  -2.719
  120    HB3  HIS  17           HB1      HIS  17 103.825   6.783  -2.880
  121    HD1  HIS  17           HD1      HIS  17 105.512   8.565  -2.137
  122    HD2  HIS  17           HD2      HIS  17 103.299   9.652  -5.484
  123    HE1  HIS  17           HE1      HIS  17 106.649  10.608  -3.063
  124    HE2  HIS  17           HE2      HIS  17 105.267  11.275  -5.062
  125    H    TYR  18           HN       TYR  18 103.173   4.623  -5.587
  126    HA   TYR  18           HA       TYR  18 101.159   3.198  -3.985
  127    HB2  TYR  18           HB2      TYR  18 100.914   1.608  -5.711
  128    HB3  TYR  18           HB1      TYR  18 100.946   3.165  -6.524
  129    HD1  TYR  18           HD1      TYR  18 103.000   3.867  -7.757
  130    HD2  TYR  18           HD2      TYR  18 102.562  -0.051  -6.152
  131    HE1  TYR  18           HE1      TYR  18 104.811   3.074  -9.215
  132    HE2  TYR  18           HE2      TYR  18 104.375  -0.854  -7.605
  133    HH   TYR  18           HH       TYR  18 106.445   0.294  -8.773
  134    H    TYR  19           HN       TYR  19 101.706   1.168  -3.073
  135    HA   TYR  19           HA       TYR  19 104.607   0.718  -2.797
  136    HB2  TYR  19           HB2      TYR  19 102.578   0.221  -0.614
  137    HB3  TYR  19           HB1      TYR  19 104.331   0.180  -0.479
  138    HD1  TYR  19           HD2      TYR  19 105.298   2.608  -1.572
  139    HD2  TYR  19           HD1      TYR  19 101.692   1.973   0.594
  140    HE1  TYR  19           HE2      TYR  19 105.304   4.967  -0.884
  141    HE2  TYR  19           HE1      TYR  19 101.687   4.332   1.290
  142    HH   TYR  19           HH       TYR  19 104.391   6.389   0.850
  143    H    TYR  20           HN       TYR  20 105.296  -1.437  -2.564
  144    HA   TYR  20           HA       TYR  20 103.259  -3.488  -3.102
  145    HB2  TYR  20           HB2      TYR  20 104.305  -3.037  -5.228
  146    HB3  TYR  20           HB1      TYR  20 105.910  -3.149  -4.514
  147    HD1  TYR  20           HD1      TYR  20 106.823  -5.343  -3.852
  148    HD2  TYR  20           HD2      TYR  20 103.081  -5.008  -5.850
  149    HE1  TYR  20           HE1      TYR  20 106.903  -7.740  -4.384
  150    HE2  TYR  20           HE2      TYR  20 103.149  -7.406  -6.391
  151    HH   TYR  20           HH       TYR  20 105.407  -9.185  -6.610
  152    H    ASP  21           HN       ASP  21 103.564  -5.462  -2.158
  153    HA   ASP  21           HA       ASP  21 105.795  -5.650  -0.241
  154    HB2  ASP  21           HB2      ASP  21 103.436  -5.552   0.674
  155    HB3  ASP  21           HB1      ASP  21 103.157  -7.118  -0.079
  156    H    LEU  22           HN       LEU  22 107.277  -7.161  -0.623
  157    HA   LEU  22           HA       LEU  22 106.875  -9.082  -2.744
  158    HB2  LEU  22           HB2      LEU  22 109.238  -9.789  -2.094
  159    HB3  LEU  22           HB1      LEU  22 109.024  -8.186  -2.767
  160    HG   LEU  22           HG       LEU  22 108.943  -8.323   0.180
  161   HD11  LEU  22          HD11      LEU  22 111.340  -8.538   0.432
  162   HD12  LEU  22          HD12      LEU  22 111.526  -8.786  -1.304
  163   HD13  LEU  22          HD13      LEU  22 110.681  -9.987  -0.327
  164   HD21  LEU  22          HD21      LEU  22 109.688  -6.197   0.023
  165   HD22  LEU  22          HD22      LEU  22 109.076  -6.336  -1.625
  166   HD23  LEU  22          HD23      LEU  22 110.795  -6.565  -1.300
  167    H    ILE  23           HN       ILE  23 106.920  -9.099   0.752
  168    HA   ILE  23           HA       ILE  23 107.297 -11.839   1.206
  169    HB   ILE  23           HB       ILE  23 105.583  -9.977   2.855
  170   HG12  ILE  23          HG12      ILE  23 108.332 -10.498   3.746
  171   HG13  ILE  23          HG11      ILE  23 108.238  -9.602   2.234
  172   HG21  ILE  23          HG21      ILE  23 107.031 -12.522   3.576
  173   HG22  ILE  23          HG22      ILE  23 105.286 -12.303   3.454
  174   HG23  ILE  23          HG23      ILE  23 106.192 -11.469   4.715
  175   HD11  ILE  23          HD11      ILE  23 107.172  -7.805   3.218
  176   HD12  ILE  23          HD12      ILE  23 108.320  -8.314   4.456
  177   HD13  ILE  23          HD13      ILE  23 106.619  -8.757   4.596
  178    H    SER  24           HN       SER  24 104.316  -9.973   0.685
  179    HA   SER  24           HA       SER  24 102.782 -12.467   0.583
  180    HB2  SER  24           HB2      SER  24 102.153 -10.170   1.833
  181    HB3  SER  24           HB1      SER  24 101.413  -9.850   0.265
  182    HG   SER  24           HG       SER  24 100.907 -12.038   1.999
  183    H    GLY  25           HN       GLY  25 103.722  -9.709  -1.415
  184    HA2  GLY  25           HA2      GLY  25 103.938  -9.712  -3.745
  185    HA3  GLY  25           HA1      GLY  25 103.085 -11.247  -3.798
  186    H    ALA  26           HN       ALA  26 102.385  -7.889  -2.779
  187    HA   ALA  26           HA       ALA  26 100.150  -7.785  -4.627
  188    HB1  ALA  26           HB1      ALA  26  98.587  -7.065  -2.763
  189    HB2  ALA  26           HB2      ALA  26  99.764  -7.757  -1.647
  190    HB3  ALA  26           HB3      ALA  26  98.979  -8.782  -2.849
  191    H    SER  27           HN       SER  27  99.242  -5.674  -4.882
  192    HA   SER  27           HA       SER  27 101.155  -3.555  -4.235
  193    HB2  SER  27           HB2      SER  27 100.749  -3.519  -6.542
  194    HB3  SER  27           HB1      SER  27  99.033  -3.870  -6.344
  195    HG   SER  27           HG       SER  27 100.354  -1.439  -5.696
  196    H    GLN  28           HN       GLN  28 100.584  -1.685  -3.191
  197    HA   GLN  28           HA       GLN  28  97.854  -1.463  -2.135
  198    HB2  GLN  28           HB2      GLN  28  99.590  -2.510  -0.505
  199    HB3  GLN  28           HB1      GLN  28 100.220  -0.874  -0.377
  200    HG2  GLN  28           HG2      GLN  28  98.420  -0.116   0.777
  201    HG3  GLN  28           HG1      GLN  28  97.307  -1.244   0.005
  202   HE21  GLN  28          HE21      GLN  28  97.108  -0.834   2.663
  203   HE22  GLN  28          HE22      GLN  28  97.658  -2.222   3.532
  204    H    TRP  29           HN       TRP  29  97.523   0.728  -1.080
  205    HA   TRP  29           HA       TRP  29  99.061   2.809  -2.486
  206    HB2  TRP  29           HB2      TRP  29  96.064   2.698  -2.083
  207    HB3  TRP  29           HB1      TRP  29  96.935   4.090  -2.718
  208    HD1  TRP  29           HD1      TRP  29  95.558   0.717  -3.725
  209    HE1  TRP  29           HE1      TRP  29  95.879   0.385  -6.256
  210    HE3  TRP  29           HE3      TRP  29  98.580   4.725  -4.694
  211    HZ2  TRP  29           HZ2      TRP  29  97.233   1.653  -8.384
  212    HZ3  TRP  29           HZ3      TRP  29  99.344   5.094  -7.004
  213    HH2  TRP  29           HH2      TRP  29  98.685   3.589  -8.809
  214    H    GLU  30           HN       GLU  30  96.915   2.083   0.260
  215    HA   GLU  30           HA       GLU  30  97.634   4.505   1.652
  216    HB2  GLU  30           HB2      GLU  30  95.788   2.238   2.089
  217    HB3  GLU  30           HB1      GLU  30  96.444   2.965   3.549
  218    HG2  GLU  30           HG2      GLU  30  95.203   4.648   1.406
  219    HG3  GLU  30           HG1      GLU  30  94.219   3.842   2.625
  220    H    LYS  31           HN       LYS  31  99.155   4.757   3.216
  221    HA   LYS  31           HA       LYS  31 101.292   2.948   3.413
  222    HB2  LYS  31           HB2      LYS  31 101.019   5.529   4.031
  223    HB3  LYS  31           HB1      LYS  31 100.811   4.862   5.644
  224    HG2  LYS  31           HG2      LYS  31 102.972   3.979   5.686
  225    HG3  LYS  31           HG1      LYS  31 103.155   4.104   3.935
  226    HD2  LYS  31           HD2      LYS  31 102.816   6.518   5.699
  227    HD3  LYS  31           HD1      LYS  31 104.397   5.818   5.349
  228    HE2  LYS  31           HE2      LYS  31 104.433   6.638   3.260
  229    HE3  LYS  31           HE1      LYS  31 102.736   6.251   2.979
  230    HZ1  LYS  31           HZ1      LYS  31 102.633   8.506   2.965
  231    HZ2  LYS  31           HZ2      LYS  31 103.933   8.706   4.027
  232    HZ3  LYS  31           HZ3      LYS  31 102.415   8.263   4.625
  233    HA   PRO  32           HA       PRO  32  99.742   0.185   6.539
  234    HB2  PRO  32           HB2      PRO  32 101.930  -1.278   6.960
  235    HB3  PRO  32           HB1      PRO  32 101.100  -1.307   5.399
  236    HG2  PRO  32           HG2      PRO  32 103.601   0.124   6.189
  237    HG3  PRO  32           HG1      PRO  32 103.216  -0.707   4.673
  238    HD2  PRO  32           HD2      PRO  32 103.054   2.040   5.094
  239    HD3  PRO  32           HD1      PRO  32 102.257   1.151   3.783
  240    H    GLU  33           HN       GLU  33 100.770   2.854   7.474
  241    HA   GLU  33           HA       GLU  33 101.426   3.912   9.372
  242    HB2  GLU  33           HB2      GLU  33  99.667   1.797  10.074
  243    HB3  GLU  33           HB1      GLU  33 100.899   1.897  11.324
  244    HG2  GLU  33           HG2      GLU  33  99.454   3.396  12.181
  245    HG3  GLU  33           HG1      GLU  33 100.334   4.487  11.114
  246    H    GLY  34           HN       GLY  34 103.445   2.215   8.029
  247    HA2  GLY  34           HA2      GLY  34 105.446   2.341  10.089
  248    HA3  GLY  34           HA1      GLY  34 105.051   0.694   9.623
  249    H    PHE  35           HN       PHE  35 105.178   3.555   7.532
  250    HA   PHE  35           HA       PHE  35 107.434   2.305   6.099
  251    HB2  PHE  35           HB2      PHE  35 105.245   2.224   4.868
  252    HB3  PHE  35           HB1      PHE  35 105.246   3.982   4.854
  253    HD1  PHE  35           HD2      PHE  35 107.160   1.014   3.730
  254    HD2  PHE  35           HD1      PHE  35 106.380   5.163   3.186
  255    HE1  PHE  35           HE2      PHE  35 108.481   0.988   1.655
  256    HE2  PHE  35           HE1      PHE  35 107.699   5.142   1.109
  257    HZ   PHE  35           HZ       PHE  35 108.753   3.052   0.343
  258    H    GLN  36           HN       GLN  36 105.805   5.398   6.781
  259    HA   GLN  36           HA       GLN  36 108.352   6.793   6.321
  260    HB2  GLN  36           HB2      GLN  36 105.484   7.625   6.142
  261    HB3  GLN  36           HB1      GLN  36 106.702   8.841   6.499
  262    HG2  GLN  36           HG2      GLN  36 107.147   7.028   4.186
  263    HG3  GLN  36           HG1      GLN  36 105.956   8.318   4.035
  264   HE21  GLN  36          HE21      GLN  36 106.638  10.346   3.657
  265   HE22  GLN  36          HE22      GLN  36 108.294  10.833   3.610
  266    H    GLY  37           HN       GLY  37 109.446   7.627   7.987
  267    HA2  GLY  37           HA2      GLY  37 108.096   8.494  10.395
  268    HA3  GLY  37           HA1      GLY  37 109.103   7.070  10.606
  269    H    ASP  38           HN       ASP  38 109.322   9.838  11.694
  270    HA   ASP  38           HA       ASP  38 111.960  10.557  10.601
  271    HB2  ASP  38           HB2      ASP  38 109.773  12.175  10.903
  272    HB3  ASP  38           HB1      ASP  38 110.660  12.495  12.390
  273    H    LEU  39           HN       LEU  39 113.582   9.809  11.788
  274    HA   LEU  39           HA       LEU  39 113.219   9.364  14.655
  275    HB2  LEU  39           HB2      LEU  39 115.655   8.677  13.022
  276    HB3  LEU  39           HB1      LEU  39 115.181   8.019  14.575
  277    HG   LEU  39           HG       LEU  39 113.503   7.570  12.122
  278   HD11  LEU  39          HD11      LEU  39 116.032   6.212  12.938
  279   HD12  LEU  39          HD12      LEU  39 115.464   6.661  11.330
  280   HD13  LEU  39          HD13      LEU  39 114.747   5.283  12.167
  281   HD21  LEU  39          HD21      LEU  39 113.790   5.576  14.281
  282   HD22  LEU  39          HD22      LEU  39 112.361   6.077  13.377
  283   HD23  LEU  39          HD23      LEU  39 112.957   7.072  14.704
  284    H    LYS  40           HN       LYS  40 115.377   9.771  15.948
  285    HA   LYS  40           HA       LYS  40 116.052  12.595  15.532
  286    HB2  LYS  40           HB2      LYS  40 115.178  11.390  17.773
  287    HB3  LYS  40           HB1      LYS  40 116.908  11.177  18.001
  288    HG2  LYS  40           HG2      LYS  40 117.295  13.427  18.228
  289    HG3  LYS  40           HG1      LYS  40 115.869  13.878  17.292
  290    HD2  LYS  40           HD2      LYS  40 114.432  13.146  19.140
  291    HD3  LYS  40           HD1      LYS  40 115.862  12.704  20.074
  292    HE2  LYS  40           HE2      LYS  40 116.420  14.875  20.511
  293    HE3  LYS  40           HE1      LYS  40 115.709  15.475  19.013
  294    HZ1  LYS  40           HZ1      LYS  40 114.451  16.185  20.956
  295    HZ2  LYS  40           HZ2      LYS  40 114.184  14.574  21.400
  296    HZ3  LYS  40           HZ3      LYS  40 113.514  15.178  19.970
  297    H    LYS  41           HN       LYS  41 117.285  10.581  13.882
  298    HA   LYS  41           HA       LYS  41 120.087  11.056  14.608
  299    HB2  LYS  41           HB2      LYS  41 119.111   8.401  13.543
  300    HB3  LYS  41           HB1      LYS  41 120.741   8.805  14.064
  301    HG2  LYS  41           HG2      LYS  41 120.026   8.974  16.355
  302    HG3  LYS  41           HG1      LYS  41 118.341   8.746  15.883
  303    HD2  LYS  41           HD2      LYS  41 118.616   6.501  15.478
  304    HD3  LYS  41           HD1      LYS  41 120.335   6.667  15.120
  305    HE2  LYS  41           HE2      LYS  41 120.942   6.613  17.332
  306    HE3  LYS  41           HE1      LYS  41 119.397   7.258  17.883
  307    HZ1  LYS  41           HZ1      LYS  41 118.385   5.103  17.311
  308    HZ2  LYS  41           HZ2      LYS  41 119.574   4.962  18.505
  309    HZ3  LYS  41           HZ3      LYS  41 119.915   4.498  16.914
  310    H    THR  42           HN       THR  42 121.552  11.061  12.810
  311    HA   THR  42           HA       THR  42 120.315  12.022  10.381
  312    HB   THR  42           HB       THR  42 123.254  11.614  10.479
  313    HG1  THR  42           HG1      THR  42 123.397  12.499  12.371
  314   HG21  THR  42          HG21      THR  42 122.826  14.241   9.976
  315   HG22  THR  42          HG22      THR  42 121.364  13.513   9.310
  316   HG23  THR  42          HG23      THR  42 122.949  12.984   8.746
  317    H    ALA  43           HN       ALA  43 119.970  10.897   8.577
  318    HA   ALA  43           HA       ALA  43 120.926   8.135   8.445
  319    HB1  ALA  43           HB1      ALA  43 118.483   8.795   8.130
  320    HB2  ALA  43           HB2      ALA  43 119.183   7.696   6.942
  321    HB3  ALA  43           HB3      ALA  43 118.975   9.402   6.549
  322    H    VAL  44           HN       VAL  44 122.176   7.329   6.805
  323    HA   VAL  44           HA       VAL  44 123.660   9.289   5.251
  324    HB   VAL  44           HB       VAL  44 124.891   7.537   6.467
  325   HG11  VAL  44          HG11      VAL  44 124.876   5.217   5.443
  326   HG12  VAL  44          HG12      VAL  44 123.372   5.684   4.651
  327   HG13  VAL  44          HG13      VAL  44 123.471   5.660   6.411
  328   HG21  VAL  44          HG21      VAL  44 125.447   6.814   3.659
  329   HG22  VAL  44          HG22      VAL  44 126.526   7.424   4.912
  330   HG23  VAL  44          HG23      VAL  44 125.469   8.535   4.043
  331    H    LYS  45           HN       LYS  45 123.827   9.320   3.012
  332    HA   LYS  45           HA       LYS  45 121.602   8.034   1.602
  333    HB2  LYS  45           HB2      LYS  45 122.833  10.607   1.453
  334    HB3  LYS  45           HB1      LYS  45 123.053   9.811  -0.097
  335    HG2  LYS  45           HG2      LYS  45 120.457   9.288   0.283
  336    HG3  LYS  45           HG1      LYS  45 120.590  10.786   1.206
  337    HD2  LYS  45           HD2      LYS  45 121.537  11.913  -0.746
  338    HD3  LYS  45           HD1      LYS  45 121.439  10.411  -1.669
  339    HE2  LYS  45           HE2      LYS  45 118.913  10.511  -1.021
  340    HE3  LYS  45           HE1      LYS  45 119.245  12.219  -0.739
  341    HZ1  LYS  45           HZ1      LYS  45 120.000  10.916  -3.283
  342    HZ2  LYS  45           HZ2      LYS  45 119.771  12.561  -2.965
  343    HZ3  LYS  45           HZ3      LYS  45 118.438  11.522  -3.040
  344    H    THR  46           HN       THR  46 123.853   6.435   2.341
  345    HA   THR  46           HA       THR  46 125.255   4.862   1.516
  346    HB   THR  46           HB       THR  46 124.092   5.325  -1.218
  347    HG1  THR  46           HG1      THR  46 122.282   4.256  -0.632
  348   HG21  THR  46          HG21      THR  46 124.108   2.777  -1.152
  349   HG22  THR  46          HG22      THR  46 125.172   2.948   0.245
  350   HG23  THR  46          HG23      THR  46 125.656   3.605  -1.318
  351    H    VAL  47           HN       VAL  47 127.106   6.117   1.878
  352    HA   VAL  47           HA       VAL  47 128.197   7.586  -0.406
  353    HB   VAL  47           HB       VAL  47 129.406   7.428   2.356
  354   HG11  VAL  47          HG11      VAL  47 130.904   8.934   1.644
  355   HG12  VAL  47          HG12      VAL  47 129.693   9.865   0.763
  356   HG13  VAL  47          HG13      VAL  47 130.418   8.437   0.024
  357   HG21  VAL  47          HG21      VAL  47 127.458   8.400   3.004
  358   HG22  VAL  47          HG22      VAL  47 127.084   8.989   1.385
  359   HG23  VAL  47          HG23      VAL  47 128.259   9.843   2.384
  360    H    TRP  48           HN       TRP  48 128.081   4.800  -0.680
  361    HA   TRP  48           HA       TRP  48 130.942   4.104  -0.632
  362    HB2  TRP  48           HB2      TRP  48 128.572   2.324  -0.064
  363    HB3  TRP  48           HB1      TRP  48 130.173   1.696  -0.429
  364    HD1  TRP  48           HD1      TRP  48 128.299   3.677   2.289
  365    HE1  TRP  48           HE1      TRP  48 129.626   3.489   4.486
  366    HE3  TRP  48           HE3      TRP  48 132.453   1.270   0.529
  367    HZ2  TRP  48           HZ2      TRP  48 132.105   2.455   5.359
  368    HZ3  TRP  48           HZ3      TRP  48 134.256   0.720   2.108
  369    HH2  TRP  48           HH2      TRP  48 134.085   1.301   4.474
  370    H    VAL  49           HN       VAL  49 131.767   3.071  -2.419
  371    HA   VAL  49           HA       VAL  49 130.078   3.169  -4.821
  372    HB   VAL  49           HB       VAL  49 133.066   2.794  -4.815
  373   HG11  VAL  49          HG11      VAL  49 130.997   3.563  -6.828
  374   HG12  VAL  49          HG12      VAL  49 132.295   2.376  -6.950
  375   HG13  VAL  49          HG13      VAL  49 132.664   4.098  -7.031
  376   HG21  VAL  49          HG21      VAL  49 132.672   4.805  -3.530
  377   HG22  VAL  49          HG22      VAL  49 131.564   5.411  -4.762
  378   HG23  VAL  49          HG23      VAL  49 133.280   5.236  -5.127
  379    H    GLU  50           HN       GLU  50 130.147   1.422  -6.362
  380    HA   GLU  50           HA       GLU  50 130.688  -1.173  -5.082
  381    HB2  GLU  50           HB2      GLU  50 128.350  -0.757  -5.764
  382    HB3  GLU  50           HB1      GLU  50 128.881  -0.525  -7.424
  383    HG2  GLU  50           HG2      GLU  50 129.903  -2.950  -7.005
  384    HG3  GLU  50           HG1      GLU  50 128.570  -3.012  -5.856
  385    H    GLY  51           HN       GLY  51 132.364  -2.313  -5.766
  386    HA2  GLY  51           HA2      GLY  51 133.402  -1.813  -8.488
  387    HA3  GLY  51           HA1      GLY  51 134.435  -2.154  -7.111
  388    H    LEU  52           HN       LEU  52 134.451  -3.607  -9.561
  389    HA   LEU  52           HA       LEU  52 133.346  -6.201  -8.711
  390    HB2  LEU  52           HB2      LEU  52 132.554  -5.197 -10.899
  391    HB3  LEU  52           HB1      LEU  52 134.177  -5.453 -11.510
  392    HG   LEU  52           HG       LEU  52 133.856  -7.916 -10.936
  393   HD11  LEU  52          HD11      LEU  52 130.941  -7.169 -10.914
  394   HD12  LEU  52          HD12      LEU  52 131.877  -7.457  -9.448
  395   HD13  LEU  52          HD13      LEU  52 131.660  -8.753 -10.624
  396   HD21  LEU  52          HD21      LEU  52 132.172  -8.127 -12.958
  397   HD22  LEU  52          HD22      LEU  52 133.826  -7.562 -13.192
  398   HD23  LEU  52          HD23      LEU  52 132.501  -6.401 -13.107
  399    H    SER  53           HN       SER  53 134.730  -7.699  -8.080
  400    HA   SER  53           HA       SER  53 137.557  -7.459  -8.873
  401    HB2  SER  53           HB2      SER  53 136.428  -7.579  -6.306
  402    HB3  SER  53           HB1      SER  53 137.130  -9.174  -6.580
  403    HG   SER  53           HG       SER  53 138.969  -8.267  -6.170
  404    H    GLU  54           HN       GLU  54 138.731  -9.385  -9.309
  405    HA   GLU  54           HA       GLU  54 137.600 -11.193 -11.018
  406    HB2  GLU  54           HB2      GLU  54 140.128 -10.822  -9.914
  407    HB3  GLU  54           HB1      GLU  54 139.702 -12.469  -9.464
  408    HG2  GLU  54           HG2      GLU  54 139.287 -13.023 -11.794
  409    HG3  GLU  54           HG1      GLU  54 139.645 -11.364 -12.268
  410    H    ASP  55           HN       ASP  55 137.080 -13.428 -10.882
  411    HA   ASP  55           HA       ASP  55 136.042 -15.264 -10.067
  412    HB2  ASP  55           HB2      ASP  55 137.560 -14.306  -7.717
  413    HB3  ASP  55           HB1      ASP  55 136.235 -15.413  -7.375
  414    H    GLY  56           HN       GLY  56 134.870 -12.310  -9.797
  415    HA2  GLY  56           HA2      GLY  56 132.692 -11.595  -9.525
  416    HA3  GLY  56           HA1      GLY  56 132.264 -13.226  -9.038
  417    H    PHE  57           HN       PHE  57 134.298 -10.589  -7.741
  418    HA   PHE  57           HA       PHE  57 132.902 -10.926  -5.165
  419    HB2  PHE  57           HB2      PHE  57 135.825 -10.264  -5.591
  420    HB3  PHE  57           HB1      PHE  57 135.012 -10.300  -4.032
  421    HD1  PHE  57           HD1      PHE  57 133.494 -12.695  -3.964
  422    HD2  PHE  57           HD2      PHE  57 137.273 -12.009  -5.796
  423    HE1  PHE  57           HE1      PHE  57 134.024 -15.090  -3.762
  424    HE2  PHE  57           HE2      PHE  57 137.810 -14.398  -5.602
  425    HZ   PHE  57           HZ       PHE  57 136.184 -15.945  -4.582
  426    H    THR  58           HN       THR  58 131.627  -9.198  -4.897
  427    HA   THR  58           HA       THR  58 132.280  -6.657  -6.099
  428    HB   THR  58           HB       THR  58 130.051  -6.911  -4.136
  429    HG1  THR  58           HG1      THR  58 130.022  -8.116  -6.706
  430   HG21  THR  58          HG21      THR  58 128.982  -5.348  -5.382
  431   HG22  THR  58          HG22      THR  58 129.725  -5.875  -6.892
  432   HG23  THR  58          HG23      THR  58 130.652  -4.914  -5.741
  433    H    TYR  59           HN       TYR  59 133.496  -5.158  -5.196
  434    HA   TYR  59           HA       TYR  59 133.778  -5.125  -2.266
  435    HB2  TYR  59           HB2      TYR  59 136.001  -4.275  -2.517
  436    HB3  TYR  59           HB1      TYR  59 135.851  -5.667  -3.580
  437    HD1  TYR  59           HD1      TYR  59 135.859  -5.385  -6.008
  438    HD2  TYR  59           HD2      TYR  59 136.264  -2.043  -3.405
  439    HE1  TYR  59           HE1      TYR  59 136.650  -4.019  -7.892
  440    HE2  TYR  59           HE2      TYR  59 137.052  -0.668  -5.280
  441    HH   TYR  59           HH       TYR  59 136.679  -1.493  -8.452
  442    H    TYR  60           HN       TYR  60 133.679  -3.146  -1.168
  443    HA   TYR  60           HA       TYR  60 132.623  -0.912  -2.776
  444    HB2  TYR  60           HB2      TYR  60 131.875  -1.519   0.089
  445    HB3  TYR  60           HB1      TYR  60 131.135  -0.332  -0.979
  446    HD1  TYR  60           HD2      TYR  60 130.065  -1.318  -3.176
  447    HD2  TYR  60           HD1      TYR  60 130.861  -3.594   0.332
  448    HE1  TYR  60           HE2      TYR  60 128.410  -2.990  -3.890
  449    HE2  TYR  60           HE1      TYR  60 129.213  -5.272  -0.377
  450    HH   TYR  60           HH       TYR  60 127.958  -5.431  -3.482
  451    H    TYR  61           HN       TYR  61 133.330   1.147  -2.345
  452    HA   TYR  61           HA       TYR  61 135.500   1.406  -0.363
  453    HB2  TYR  61           HB2      TYR  61 136.310   1.400  -2.709
  454    HB3  TYR  61           HB1      TYR  61 135.293   2.796  -3.041
  455    HD1  TYR  61           HD2      TYR  61 138.330   1.616  -1.352
  456    HD2  TYR  61           HD1      TYR  61 135.911   5.000  -2.252
  457    HE1  TYR  61           HE2      TYR  61 140.165   3.103  -0.666
  458    HE2  TYR  61           HE1      TYR  61 137.739   6.498  -1.571
  459    HH   TYR  61           HH       TYR  61 140.497   6.112  -1.481
  460    H    ASN  62           HN       ASN  62 135.699   3.399   0.731
  461    HA   ASN  62           HA       ASN  62 133.311   5.129   0.588
  462    HB2  ASN  62           HB2      ASN  62 133.603   3.727   2.689
  463    HB3  ASN  62           HB1      ASN  62 135.019   4.711   3.043
  464   HD21  ASN  62          HD21      ASN  62 133.099   4.689   4.883
  465   HD22  ASN  62          HD22      ASN  62 132.210   6.171   4.884
  466    H    THR  63           HN       THR  63 133.604   7.256   0.264
  467    HA   THR  63           HA       THR  63 136.260   8.241  -0.264
  468    HB   THR  63           HB       THR  63 135.222  10.225  -1.080
  469    HG1  THR  63           HG1      THR  63 132.868   9.360   0.245
  470   HG21  THR  63          HG21      THR  63 133.393   7.924  -1.710
  471   HG22  THR  63          HG22      THR  63 134.863   8.370  -2.576
  472   HG23  THR  63          HG23      THR  63 133.468   9.448  -2.593
  473    H    GLU  64           HN       GLU  64 133.993   8.411   2.368
  474    HA   GLU  64           HA       GLU  64 134.847  10.724   3.665
  475    HB2  GLU  64           HB2      GLU  64 132.836   9.484   4.305
  476    HB3  GLU  64           HB1      GLU  64 133.825   8.147   4.874
  477    HG2  GLU  64           HG2      GLU  64 134.664   9.410   6.681
  478    HG3  GLU  64           HG1      GLU  64 134.030  10.915   6.018
  479    H    THR  65           HN       THR  65 135.808   7.385   4.521
  480    HA   THR  65           HA       THR  65 138.139   8.409   5.926
  481    HB   THR  65           HB       THR  65 138.495   5.914   6.400
  482    HG1  THR  65           HG1      THR  65 137.287   4.714   5.164
  483   HG21  THR  65          HG21      THR  65 135.800   6.604   7.400
  484   HG22  THR  65          HG22      THR  65 137.128   7.689   7.811
  485   HG23  THR  65          HG23      THR  65 137.209   5.985   8.258
  486    H    GLY  66           HN       GLY  66 137.440   6.262   3.183
  487    HA2  GLY  66           HA2      GLY  66 138.726   6.240   1.190
  488    HA3  GLY  66           HA1      GLY  66 140.081   6.904   2.087
  489    H    GLU  67           HN       GLU  67 138.022   4.057   2.704
  490    HA   GLU  67           HA       GLU  67 140.383   2.346   2.345
  491    HB2  GLU  67           HB2      GLU  67 139.923   2.973   4.800
  492    HB3  GLU  67           HB1      GLU  67 138.509   1.936   4.667
  493    HG2  GLU  67           HG2      GLU  67 139.839   0.018   4.280
  494    HG3  GLU  67           HG1      GLU  67 141.290   0.989   4.037
  495    H    SER  68           HN       SER  68 139.974   0.285   1.600
  496    HA   SER  68           HA       SER  68 137.494  -0.083   0.222
  497    HB2  SER  68           HB2      SER  68 138.637  -2.450  -0.159
  498    HB3  SER  68           HB1      SER  68 139.208  -1.012  -1.005
  499    HG   SER  68           HG       SER  68 140.381  -2.427   1.103
  500    H    ARG  69           HN       ARG  69 135.952  -1.715   0.525
  501    HA   ARG  69           HA       ARG  69 136.008  -3.112   3.111
  502    HB2  ARG  69           HB2      ARG  69 134.583  -0.951   3.023
  503    HB3  ARG  69           HB1      ARG  69 133.481  -1.893   2.031
  504    HG2  ARG  69           HG2      ARG  69 132.597  -2.128   4.147
  505    HG3  ARG  69           HG1      ARG  69 133.558  -3.596   3.968
  506    HD2  ARG  69           HD2      ARG  69 135.327  -2.687   5.289
  507    HD3  ARG  69           HD1      ARG  69 134.579  -1.091   5.294
  508    HE   ARG  69           HE       ARG  69 133.982  -3.275   7.033
  509   HH11  ARG  69          HH11      ARG  69 132.586  -0.467   5.473
  510   HH12  ARG  69          HH12      ARG  69 131.359  -0.254   6.675
  511   HH21  ARG  69          HH21      ARG  69 132.359  -2.997   8.609
  512   HH22  ARG  69          HH22      ARG  69 131.231  -1.691   8.459
  513    H    TRP  70           HN       TRP  70 134.666  -5.011   3.216
  514    HA   TRP  70           HA       TRP  70 133.887  -6.086   0.585
  515    HB2  TRP  70           HB2      TRP  70 135.226  -7.619   2.827
  516    HB3  TRP  70           HB1      TRP  70 134.695  -8.296   1.292
  517    HD1  TRP  70           HD1      TRP  70 137.459  -6.171   2.833
  518    HE1  TRP  70           HE1      TRP  70 139.380  -5.946   1.137
  519    HE3  TRP  70           HE3      TRP  70 135.200  -8.284  -1.237
  520    HZ2  TRP  70           HZ2      TRP  70 139.874  -6.581  -1.569
  521    HZ3  TRP  70           HZ3      TRP  70 136.465  -8.437  -3.342
  522    HH2  TRP  70           HH2      TRP  70 138.754  -7.602  -3.503
  523    H    GLU  71           HN       GLU  71 132.245  -4.763   2.585
  524    HA   GLU  71           HA       GLU  71 130.318  -6.918   3.058
  525    HB2  GLU  71           HB2      GLU  71 130.943  -4.822   5.145
  526    HB3  GLU  71           HB1      GLU  71 129.852  -6.190   5.305
  527    HG2  GLU  71           HG2      GLU  71 131.623  -7.731   5.401
  528    HG3  GLU  71           HG1      GLU  71 132.789  -6.548   4.813
  529    H    LYS  72           HN       LYS  72 128.451  -6.365   2.124
  530    HA   LYS  72           HA       LYS  72 127.955  -3.709   1.206
  531    HB2  LYS  72           HB2      LYS  72 127.196  -5.873   0.100
  532    HB3  LYS  72           HB1      LYS  72 125.942  -5.957   1.330
  533    HG2  LYS  72           HG2      LYS  72 125.257  -3.626   0.541
  534    HG3  LYS  72           HG1      LYS  72 126.288  -3.933  -0.858
  535    HD2  LYS  72           HD2      LYS  72 124.358  -4.755  -1.716
  536    HD3  LYS  72           HD1      LYS  72 124.867  -6.208  -0.854
  537    HE2  LYS  72           HE2      LYS  72 123.183  -6.061   0.624
  538    HE3  LYS  72           HE1      LYS  72 123.362  -4.316   0.795
  539    HZ1  LYS  72           HZ1      LYS  72 121.870  -5.781  -1.309
  540    HZ2  LYS  72           HZ2      LYS  72 122.221  -4.130  -1.411
  541    HZ3  LYS  72           HZ3      LYS  72 121.250  -4.711  -0.153
  542    HA   PRO  73           HA       PRO  73 126.176  -2.342   5.112
  543    HB2  PRO  73           HB2      PRO  73 125.607   0.195   4.281
  544    HB3  PRO  73           HB1      PRO  73 127.220  -0.323   4.781
  545    HG2  PRO  73           HG2      PRO  73 126.099  -0.008   2.028
  546    HG3  PRO  73           HG1      PRO  73 127.703   0.430   2.642
  547    HD2  PRO  73           HD2      PRO  73 127.251  -1.814   1.193
  548    HD3  PRO  73           HD1      PRO  73 128.504  -1.720   2.446
  549    H    ASP  74           HN       ASP  74 124.252  -3.378   5.371
  550    HA   ASP  74           HA       ASP  74 122.011  -2.693   3.620
  551    HB2  ASP  74           HB2      ASP  74 120.881  -4.630   4.608
  552    HB3  ASP  74           HB1      ASP  74 122.456  -5.077   3.964
  553    H    ASP  75           HN       ASP  75 120.062  -1.903   4.363
  554    HA   ASP  75           HA       ASP  75 118.579  -0.787   5.677
  555    HB2  ASP  75           HB2      ASP  75 119.595  -2.657   7.410
  556    HB3  ASP  75           HB1      ASP  75 119.962  -1.156   8.254
  Start of MODEL    5
    1    H1   ASP   1           HT1      ASP   1 117.219  13.187  -0.623
    2    H2   ASP   1           HT2      ASP   1 115.802  14.025  -1.108
    3    H3   ASP   1           HT3      ASP   1 117.334  14.788  -1.224
    4    HA   ASP   1           HA       ASP   1 116.761  14.154  -3.361
    5    HB2  ASP   1           HB2      ASP   1 118.860  12.662  -1.899
    6    HB3  ASP   1           HB1      ASP   1 118.442  12.019  -3.484
    7    HA   PRO   2           HA       PRO   2 113.644  10.815  -2.838
    8    HB2  PRO   2           HB2      PRO   2 111.881  11.816  -4.634
    9    HB3  PRO   2           HB1      PRO   2 111.962  12.378  -2.961
   10    HG2  PRO   2           HG2      PRO   2 113.107  13.616  -5.433
   11    HG3  PRO   2           HG1      PRO   2 112.271  14.394  -4.077
   12    HD2  PRO   2           HD2      PRO   2 114.975  14.387  -4.345
   13    HD3  PRO   2           HD1      PRO   2 114.161  14.423  -2.769
   14    H    SER   3           HN       SER   3 115.423   9.555  -3.882
   15    HA   SER   3           HA       SER   3 114.605   8.761  -6.562
   16    HB2  SER   3           HB2      SER   3 116.671  10.492  -6.413
   17    HB3  SER   3           HB1      SER   3 117.545   8.971  -6.225
   18    HG   SER   3           HG       SER   3 115.936   9.837  -8.378
   19    H    LYS   4           HN       LYS   4 115.094   6.619  -7.084
   20    HA   LYS   4           HA       LYS   4 115.448   4.412  -6.713
   21    HB2  LYS   4           HB2      LYS   4 117.806   5.273  -6.417
   22    HB3  LYS   4           HB1      LYS   4 117.516   5.255  -4.683
   23    HG2  LYS   4           HG2      LYS   4 116.955   2.755  -6.166
   24    HG3  LYS   4           HG1      LYS   4 118.644   3.230  -5.980
   25    HD2  LYS   4           HD2      LYS   4 118.015   3.562  -3.484
   26    HD3  LYS   4           HD1      LYS   4 116.625   2.546  -3.874
   27    HE2  LYS   4           HE2      LYS   4 119.305   1.603  -4.737
   28    HE3  LYS   4           HE1      LYS   4 118.937   1.544  -3.013
   29    HZ1  LYS   4           HZ1      LYS   4 117.297   0.304  -5.160
   30    HZ2  LYS   4           HZ2      LYS   4 116.983   0.219  -3.500
   31    HZ3  LYS   4           HZ3      LYS   4 118.361  -0.525  -4.138
   32    H    GLY   5           HN       GLY   5 113.459   3.917  -5.811
   33    HA2  GLY   5           HA2      GLY   5 113.419   2.765  -3.278
   34    HA3  GLY   5           HA1      GLY   5 112.778   4.389  -3.100
   35    H    ARG   6           HN       ARG   6 112.323   1.295  -4.716
   36    HA   ARG   6           HA       ARG   6 109.577   2.052  -5.411
   37    HB2  ARG   6           HB2      ARG   6 111.162  -0.394  -6.221
   38    HB3  ARG   6           HB1      ARG   6 109.553   0.021  -6.792
   39    HG2  ARG   6           HG2      ARG   6 111.637   2.071  -7.189
   40    HG3  ARG   6           HG1      ARG   6 111.800   0.589  -8.133
   41    HD2  ARG   6           HD2      ARG   6 110.251   1.317  -9.544
   42    HD3  ARG   6           HD1      ARG   6 109.078   1.374  -8.230
   43    HE   ARG   6           HE       ARG   6 109.277   3.647  -8.212
   44   HH11  ARG   6          HH11      ARG   6 112.057   2.316  -9.879
   45   HH12  ARG   6          HH12      ARG   6 112.646   3.860 -10.393
   46   HH21  ARG   6          HH21      ARG   6 110.059   5.683  -8.890
   47   HH22  ARG   6          HH22      ARG   6 111.511   5.774  -9.829
   48    H    TRP   7           HN       TRP   7 108.928   1.995  -3.164
   49    HA   TRP   7           HA       TRP   7 108.466  -0.749  -2.193
   50    HB2  TRP   7           HB2      TRP   7 108.884   1.748  -0.537
   51    HB3  TRP   7           HB1      TRP   7 108.525   0.147   0.101
   52    HD1  TRP   7           HD1      TRP   7 111.325   1.987  -1.832
   53    HE1  TRP   7           HE1      TRP   7 113.558   0.823  -1.302
   54    HE3  TRP   7           HE3      TRP   7 109.565  -1.907   0.974
   55    HZ2  TRP   7           HZ2      TRP   7 114.455  -1.445   0.120
   56    HZ3  TRP   7           HZ3      TRP   7 111.176  -3.530   1.883
   57    HH2  TRP   7           HH2      TRP   7 113.570  -3.302   1.463
   58    H    VAL   8           HN       VAL   8 106.448  -1.252  -1.386
   59    HA   VAL   8           HA       VAL   8 104.344   0.745  -1.909
   60    HB   VAL   8           HB       VAL   8 103.667  -2.143  -1.588
   61   HG11  VAL   8          HG11      VAL   8 102.592   0.183  -3.153
   62   HG12  VAL   8          HG12      VAL   8 101.806  -0.751  -1.881
   63   HG13  VAL   8          HG13      VAL   8 102.076  -1.474  -3.466
   64   HG21  VAL   8          HG21      VAL   8 104.960  -0.983  -4.052
   65   HG22  VAL   8          HG22      VAL   8 104.049  -2.493  -4.033
   66   HG23  VAL   8          HG23      VAL   8 105.525  -2.342  -3.080
   67    H    GLU   9           HN       GLU   9 102.848   1.237  -0.342
   68    HA   GLU   9           HA       GLU   9 103.513   0.372   2.359
   69    HB2  GLU   9           HB2      GLU   9 103.140   2.797   1.752
   70    HB3  GLU   9           HB1      GLU   9 101.439   2.408   1.539
   71    HG2  GLU   9           HG2      GLU   9 101.145   1.939   3.816
   72    HG3  GLU   9           HG1      GLU   9 102.881   1.834   4.104
   73    H    GLY  10           HN       GLY  10 102.299  -0.924   3.606
   74    HA2  GLY  10           HA2      GLY  10  99.607  -1.652   2.653
   75    HA3  GLY  10           HA1      GLY  10 100.771  -2.903   3.060
   76    H    ILE  11           HN       ILE  11  98.124  -2.288   4.215
   77    HA   ILE  11           HA       ILE  11  98.797  -1.431   6.931
   78    HB   ILE  11           HB       ILE  11  96.071  -2.163   5.859
   79   HG12  ILE  11          HG12      ILE  11  96.955  -0.329   4.522
   80   HG13  ILE  11          HG11      ILE  11  95.700   0.271   5.599
   81   HG21  ILE  11          HG21      ILE  11  95.233  -0.888   7.748
   82   HG22  ILE  11          HG22      ILE  11  96.882  -0.515   8.252
   83   HG23  ILE  11          HG23      ILE  11  96.298  -2.179   8.302
   84   HD11  ILE  11          HD11      ILE  11  98.521   0.968   5.434
   85   HD12  ILE  11          HD12      ILE  11  97.969   0.649   7.078
   86   HD13  ILE  11          HD13      ILE  11  97.161   1.872   6.099
   87    H    THR  12           HN       THR  12  98.526  -2.720   8.749
   88    HA   THR  12           HA       THR  12  97.936  -5.565   8.285
   89    HB   THR  12           HB       THR  12  99.854  -5.084  10.441
   90    HG1  THR  12           HG1      THR  12 100.703  -3.537   9.073
   91   HG21  THR  12          HG21      THR  12  99.159  -7.188   8.782
   92   HG22  THR  12          HG22      THR  12 100.478  -7.146   9.951
   93   HG23  THR  12          HG23      THR  12 100.781  -6.728   8.265
   94    H    SER  13           HN       SER  13  97.335  -6.743  10.278
   95    HA   SER  13           HA       SER  13  95.170  -5.674  11.576
   96    HB2  SER  13           HB2      SER  13  96.496  -8.100  11.652
   97    HB3  SER  13           HB1      SER  13  96.641  -7.514  13.309
   98    HG   SER  13           HG       SER  13  94.361  -7.253  13.326
   99    H    GLU  14           HN       GLU  14  94.765  -4.814  13.629
  100    HA   GLU  14           HA       GLU  14  95.153  -3.682  15.575
  101    HB2  GLU  14           HB2      GLU  14  97.249  -5.254  15.674
  102    HB3  GLU  14           HB1      GLU  14  98.124  -3.800  15.214
  103    HG2  GLU  14           HG2      GLU  14  96.247  -3.798  17.543
  104    HG3  GLU  14           HG1      GLU  14  97.904  -4.374  17.705
  105    H    GLY  15           HN       GLY  15  97.695  -2.860  13.186
  106    HA2  GLY  15           HA2      GLY  15  96.922  -0.625  12.054
  107    HA3  GLY  15           HA1      GLY  15  97.180  -0.018  13.682
  108    H    TYR  16           HN       TYR  16  99.016  -2.323  11.677
  109    HA   TYR  16           HA       TYR  16 101.407  -0.662  12.126
  110    HB2  TYR  16           HB2      TYR  16 101.250  -3.612  11.462
  111    HB3  TYR  16           HB1      TYR  16 102.724  -2.700  11.766
  112    HD1  TYR  16           HD2      TYR  16 102.914  -1.567  14.103
  113    HD2  TYR  16           HD1      TYR  16 100.194  -4.714  13.211
  114    HE1  TYR  16           HE2      TYR  16 102.746  -2.095  16.498
  115    HE2  TYR  16           HE1      TYR  16 100.019  -5.249  15.602
  116    HH   TYR  16           HH       TYR  16 101.782  -4.805  17.717
  117    H    HIS  17           HN       HIS  17 102.777  -0.185  10.398
  118    HA   HIS  17           HA       HIS  17 101.564  -0.590   7.746
  119    HB2  HIS  17           HB2      HIS  17 103.298   1.615   8.847
  120    HB3  HIS  17           HB1      HIS  17 103.080   1.385   7.115
  121    HD1  HIS  17           HD1      HIS  17 101.583   3.247   6.436
  122    HD2  HIS  17           HD2      HIS  17 100.253   1.358   9.891
  123    HE1  HIS  17           HE1      HIS  17  99.360   4.294   6.961
  124    HE2  HIS  17           HE2      HIS  17  98.609   3.190   9.098
  125    H    TYR  18           HN       TYR  18 102.514  -2.059   6.527
  126    HA   TYR  18           HA       TYR  18 105.391  -2.567   6.890
  127    HB2  TYR  18           HB2      TYR  18 105.052  -4.818   6.202
  128    HB3  TYR  18           HB1      TYR  18 103.781  -4.464   7.366
  129    HD1  TYR  18           HD1      TYR  18 101.453  -4.046   6.548
  130    HD2  TYR  18           HD2      TYR  18 104.537  -5.430   3.966
  131    HE1  TYR  18           HE1      TYR  18  99.759  -4.767   4.922
  132    HE2  TYR  18           HE2      TYR  18 102.850  -6.155   2.330
  133    HH   TYR  18           HH       TYR  18  99.623  -6.494   3.041
  134    H    TYR  19           HN       TYR  19 106.699  -2.894   5.029
  135    HA   TYR  19           HA       TYR  19 105.524  -1.845   2.540
  136    HB2  TYR  19           HB2      TYR  19 108.342  -1.304   3.485
  137    HB3  TYR  19           HB1      TYR  19 107.532  -0.599   2.089
  138    HD1  TYR  19           HD1      TYR  19 105.629   0.998   2.459
  139    HD2  TYR  19           HD2      TYR  19 108.104  -0.355   5.648
  140    HE1  TYR  19           HE1      TYR  19 104.853   2.868   3.851
  141    HE2  TYR  19           HE2      TYR  19 107.330   1.510   7.046
  142    HH   TYR  19           HH       TYR  19 105.225   3.008   7.126
  143    H    TYR  20           HN       TYR  20 106.352  -2.638   0.580
  144    HA   TYR  20           HA       TYR  20 108.018  -5.057   0.818
  145    HB2  TYR  20           HB2      TYR  20 105.763  -5.797   0.412
  146    HB3  TYR  20           HB1      TYR  20 105.562  -4.634  -0.894
  147    HD1  TYR  20           HD2      TYR  20 107.071  -7.833   0.080
  148    HD2  TYR  20           HD1      TYR  20 106.496  -5.049  -3.086
  149    HE1  TYR  20           HE2      TYR  20 107.845  -9.518  -1.535
  150    HE2  TYR  20           HE1      TYR  20 107.269  -6.722  -4.710
  151    HH   TYR  20           HH       TYR  20 107.287  -9.626  -4.499
  152    H    ASP  21           HN       ASP  21 109.432  -5.507  -0.896
  153    HA   ASP  21           HA       ASP  21 109.903  -3.251  -2.736
  154    HB2  ASP  21           HB2      ASP  21 111.661  -3.621  -0.973
  155    HB3  ASP  21           HB1      ASP  21 111.985  -5.186  -1.707
  156    H    LEU  22           HN       LEU  22 109.734  -3.673  -4.831
  157    HA   LEU  22           HA       LEU  22 109.300  -6.397  -5.721
  158    HB2  LEU  22           HB2      LEU  22 108.970  -5.247  -7.973
  159    HB3  LEU  22           HB1      LEU  22 107.801  -4.914  -6.712
  160    HG   LEU  22           HG       LEU  22 110.051  -3.008  -6.876
  161   HD11  LEU  22          HD11      LEU  22 109.475  -1.959  -8.850
  162   HD12  LEU  22          HD12      LEU  22 107.895  -2.737  -8.927
  163   HD13  LEU  22          HD13      LEU  22 109.352  -3.664  -9.284
  164   HD21  LEU  22          HD21      LEU  22 108.556  -1.593  -5.958
  165   HD22  LEU  22          HD22      LEU  22 107.705  -3.083  -5.551
  166   HD23  LEU  22          HD23      LEU  22 107.231  -2.156  -6.975
  167    H    ILE  23           HN       ILE  23 111.803  -3.949  -5.960
  168    HA   ILE  23           HA       ILE  23 113.285  -5.017  -8.083
  169    HB   ILE  23           HB       ILE  23 114.425  -3.590  -5.676
  170   HG12  ILE  23          HG12      ILE  23 113.978  -1.989  -8.077
  171   HG13  ILE  23          HG11      ILE  23 112.479  -2.626  -7.411
  172   HG21  ILE  23          HG21      ILE  23 116.314  -4.183  -6.760
  173   HG22  ILE  23          HG22      ILE  23 115.917  -2.786  -7.761
  174   HG23  ILE  23          HG23      ILE  23 115.491  -4.409  -8.303
  175   HD11  ILE  23          HD11      ILE  23 113.442  -0.321  -6.634
  176   HD12  ILE  23          HD12      ILE  23 114.412  -1.334  -5.564
  177   HD13  ILE  23          HD13      ILE  23 112.652  -1.408  -5.493
  178    H    SER  24           HN       SER  24 113.850  -5.436  -4.578
  179    HA   SER  24           HA       SER  24 115.636  -7.662  -5.098
  180    HB2  SER  24           HB2      SER  24 114.729  -6.439  -2.479
  181    HB3  SER  24           HB1      SER  24 115.969  -7.680  -2.649
  182    HG   SER  24           HG       SER  24 116.281  -5.071  -2.794
  183    H    GLY  25           HN       GLY  25 112.445  -7.114  -3.633
  184    HA2  GLY  25           HA2      GLY  25 110.664  -8.661  -3.723
  185    HA3  GLY  25           HA1      GLY  25 111.819  -9.937  -4.075
  186    H    ALA  26           HN       ALA  26 111.642  -7.554  -1.427
  187    HA   ALA  26           HA       ALA  26 111.351  -9.781   0.468
  188    HB1  ALA  26           HB1      ALA  26 113.761  -8.690   0.125
  189    HB2  ALA  26           HB2      ALA  26 113.191  -9.267   1.691
  190    HB3  ALA  26           HB3      ALA  26 113.111  -7.549   1.302
  191    H    SER  27           HN       SER  27 110.207  -9.336   2.336
  192    HA   SER  27           HA       SER  27 108.564  -6.926   2.233
  193    HB2  SER  27           HB2      SER  27 108.110  -8.933   4.371
  194    HB3  SER  27           HB1      SER  27 106.947  -8.102   3.340
  195    HG   SER  27           HG       SER  27 107.184  -9.613   1.821
  196    H    GLN  28           HN       GLN  28 108.707  -5.281   3.637
  197    HA   GLN  28           HA       GLN  28 110.534  -5.574   5.934
  198    HB2  GLN  28           HB2      GLN  28 111.031  -4.002   3.803
  199    HB3  GLN  28           HB1      GLN  28 110.095  -2.876   4.775
  200    HG2  GLN  28           HG2      GLN  28 111.972  -2.387   5.838
  201    HG3  GLN  28           HG1      GLN  28 111.896  -3.991   6.564
  202   HE21  GLN  28          HE21      GLN  28 113.886  -1.945   5.016
  203   HE22  GLN  28          HE22      GLN  28 114.953  -3.071   4.255
  204    H    TRP  29           HN       TRP  29 110.107  -3.946   7.694
  205    HA   TRP  29           HA       TRP  29 107.234  -3.332   7.927
  206    HB2  TRP  29           HB2      TRP  29 109.051  -4.557  10.002
  207    HB3  TRP  29           HB1      TRP  29 107.482  -3.858  10.389
  208    HD1  TRP  29           HD1      TRP  29 109.069  -6.859   8.620
  209    HE1  TRP  29           HE1      TRP  29 107.266  -8.664   8.283
  210    HE3  TRP  29           HE3      TRP  29 104.968  -4.206  10.136
  211    HZ2  TRP  29           HZ2      TRP  29 104.475  -8.929   8.617
  212    HZ3  TRP  29           HZ3      TRP  29 102.769  -5.309  10.096
  213    HH2  TRP  29           HH2      TRP  29 102.530  -7.622   9.352
  214    H    GLU  30           HN       GLU  30 110.109  -1.903   7.596
  215    HA   GLU  30           HA       GLU  30 109.347   0.373   9.285
  216    HB2  GLU  30           HB2      GLU  30 112.162  -0.667   8.873
  217    HB3  GLU  30           HB1      GLU  30 111.740   0.809   9.730
  218    HG2  GLU  30           HG2      GLU  30 111.772  -0.445  11.566
  219    HG3  GLU  30           HG1      GLU  30 110.218  -1.067  11.016
  220    H    LYS  31           HN       LYS  31 109.200   2.233   8.179
  221    HA   LYS  31           HA       LYS  31 109.519   2.325   5.389
  222    HB2  LYS  31           HB2      LYS  31 108.130   3.830   7.056
  223    HB3  LYS  31           HB1      LYS  31 109.568   4.841   7.006
  224    HG2  LYS  31           HG2      LYS  31 109.315   4.706   4.450
  225    HG3  LYS  31           HG1      LYS  31 107.678   4.145   4.792
  226    HD2  LYS  31           HD2      LYS  31 108.529   6.560   6.255
  227    HD3  LYS  31           HD1      LYS  31 108.365   6.746   4.508
  228    HE2  LYS  31           HE2      LYS  31 106.199   7.121   4.957
  229    HE3  LYS  31           HE1      LYS  31 106.097   5.369   5.121
  230    HZ1  LYS  31           HZ1      LYS  31 105.201   6.877   6.997
  231    HZ2  LYS  31           HZ2      LYS  31 106.824   7.016   7.453
  232    HZ3  LYS  31           HZ3      LYS  31 106.087   5.495   7.406
  233    HA   PRO  32           HA       PRO  32 114.015   2.693   5.361
  234    HB2  PRO  32           HB2      PRO  32 113.468   3.186   2.482
  235    HB3  PRO  32           HB1      PRO  32 114.561   2.020   3.237
  236    HG2  PRO  32           HG2      PRO  32 112.272   1.218   2.141
  237    HG3  PRO  32           HG1      PRO  32 112.860   0.495   3.651
  238    HD2  PRO  32           HD2      PRO  32 110.712   2.540   3.238
  239    HD3  PRO  32           HD1      PRO  32 110.754   1.158   4.353
  240    H    GLU  33           HN       GLU  33 115.581   4.315   4.482
  241    HA   GLU  33           HA       GLU  33 114.739   6.948   5.134
  242    HB2  GLU  33           HB2      GLU  33 117.205   5.607   4.810
  243    HB3  GLU  33           HB1      GLU  33 117.220   6.946   3.672
  244    HG2  GLU  33           HG2      GLU  33 116.224   7.765   6.257
  245    HG3  GLU  33           HG1      GLU  33 117.826   7.039   6.372
  246    H    GLY  34           HN       GLY  34 113.036   7.424   3.701
  247    HA2  GLY  34           HA2      GLY  34 113.080   9.096   1.770
  248    HA3  GLY  34           HA1      GLY  34 113.800   7.768   0.874
  249    H    PHE  35           HN       PHE  35 112.462   5.680   0.963
  250    HA   PHE  35           HA       PHE  35 110.574   4.533   0.470
  251    HB2  PHE  35           HB2      PHE  35 109.722   5.322   2.624
  252    HB3  PHE  35           HB1      PHE  35 109.158   6.810   1.875
  253    HD1  PHE  35           HD2      PHE  35 108.874   3.251   0.790
  254    HD2  PHE  35           HD1      PHE  35 106.859   6.808   1.977
  255    HE1  PHE  35           HE2      PHE  35 106.709   2.186   0.297
  256    HE2  PHE  35           HE1      PHE  35 104.695   5.748   1.489
  257    HZ   PHE  35           HZ       PHE  35 104.618   3.436   0.646
  258    H    GLN  36           HN       GLN  36 109.393   7.901   0.116
  259    HA   GLN  36           HA       GLN  36 108.322   7.266  -2.494
  260    HB2  GLN  36           HB2      GLN  36 108.154   9.559  -0.608
  261    HB3  GLN  36           HB1      GLN  36 107.902   9.908  -2.313
  262    HG2  GLN  36           HG2      GLN  36 105.966   8.686  -2.421
  263    HG3  GLN  36           HG1      GLN  36 106.417   7.649  -1.069
  264   HE21  GLN  36          HE21      GLN  36 105.927  11.131  -1.635
  265   HE22  GLN  36          HE22      GLN  36 104.947  11.388  -0.236
  266    H    GLY  37           HN       GLY  37 110.012   6.920  -3.900
  267    HA2  GLY  37           HA2      GLY  37 111.804   9.227  -4.353
  268    HA3  GLY  37           HA1      GLY  37 112.334   7.560  -4.513
  269    H    ASP  38           HN       ASP  38 109.272   8.937  -5.652
  270    HA   ASP  38           HA       ASP  38 109.900   7.992  -8.338
  271    HB2  ASP  38           HB2      ASP  38 107.599   7.869  -6.870
  272    HB3  ASP  38           HB1      ASP  38 107.290   9.279  -7.879
  273    H    LEU  39           HN       LEU  39 108.720   9.528 -10.082
  274    HA   LEU  39           HA       LEU  39 108.770  11.462 -11.270
  275    HB2  LEU  39           HB2      LEU  39 108.281  12.287  -8.615
  276    HB3  LEU  39           HB1      LEU  39 109.491  13.381  -9.256
  277    HG   LEU  39           HG       LEU  39 107.118  12.858 -10.964
  278   HD11  LEU  39          HD11      LEU  39 105.936  14.733  -9.701
  279   HD12  LEU  39          HD12      LEU  39 107.019  14.352  -8.362
  280   HD13  LEU  39          HD13      LEU  39 105.910  13.126  -8.976
  281   HD21  LEU  39          HD21      LEU  39 109.238  14.480 -11.200
  282   HD22  LEU  39          HD22      LEU  39 108.131  15.567 -10.360
  283   HD23  LEU  39          HD23      LEU  39 107.661  14.843 -11.899
  284    H    LYS  40           HN       LYS  40 110.516  11.243 -12.542
  285    HA   LYS  40           HA       LYS  40 112.567  11.679 -13.421
  286    HB2  LYS  40           HB2      LYS  40 112.208  13.864 -12.032
  287    HB3  LYS  40           HB1      LYS  40 113.416  13.168 -10.962
  288    HG2  LYS  40           HG2      LYS  40 115.105  13.482 -12.435
  289    HG3  LYS  40           HG1      LYS  40 114.075  13.223 -13.844
  290    HD2  LYS  40           HD2      LYS  40 113.885  15.420 -14.128
  291    HD3  LYS  40           HD1      LYS  40 113.199  15.581 -12.510
  292    HE2  LYS  40           HE2      LYS  40 115.710  15.399 -11.769
  293    HE3  LYS  40           HE1      LYS  40 116.019  15.923 -13.424
  294    HZ1  LYS  40           HZ1      LYS  40 114.068  17.425 -11.830
  295    HZ2  LYS  40           HZ2      LYS  40 115.112  17.965 -13.046
  296    HZ3  LYS  40           HZ3      LYS  40 115.713  17.646 -11.499
  297    H    LYS  41           HN       LYS  41 113.971  10.057 -13.579
  298    HA   LYS  41           HA       LYS  41 114.945   8.795 -11.102
  299    HB2  LYS  41           HB2      LYS  41 115.316   6.763 -12.452
  300    HB3  LYS  41           HB1      LYS  41 113.633   7.265 -12.444
  301    HG2  LYS  41           HG2      LYS  41 114.820   8.502 -14.676
  302    HG3  LYS  41           HG1      LYS  41 115.383   6.830 -14.662
  303    HD2  LYS  41           HD2      LYS  41 113.440   6.405 -15.711
  304    HD3  LYS  41           HD1      LYS  41 112.744   6.505 -14.092
  305    HE2  LYS  41           HE2      LYS  41 113.072   9.001 -15.693
  306    HE3  LYS  41           HE1      LYS  41 111.749   7.903 -16.082
  307    HZ1  LYS  41           HZ1      LYS  41 111.567   9.836 -14.268
  308    HZ2  LYS  41           HZ2      LYS  41 112.061   8.569 -13.266
  309    HZ3  LYS  41           HZ3      LYS  41 110.656   8.414 -14.193
  310    H    THR  42           HN       THR  42 117.047   8.755 -10.664
  311    HA   THR  42           HA       THR  42 118.959   9.453 -12.787
  312    HB   THR  42           HB       THR  42 119.061  10.429  -9.928
  313    HG1  THR  42           HG1      THR  42 118.266  12.283 -10.639
  314   HG21  THR  42          HG21      THR  42 120.751  12.044 -10.988
  315   HG22  THR  42          HG22      THR  42 120.884  10.831 -12.262
  316   HG23  THR  42          HG23      THR  42 121.278  10.407 -10.596
  317    H    ALA  43           HN       ALA  43 118.616   8.066  -9.531
  318    HA   ALA  43           HA       ALA  43 121.089   6.577  -9.790
  319    HB1  ALA  43           HB1      ALA  43 119.149   7.113  -7.618
  320    HB2  ALA  43           HB2      ALA  43 120.912   7.166  -7.605
  321    HB3  ALA  43           HB3      ALA  43 120.075   5.616  -7.520
  322    H    VAL  44           HN       VAL  44 120.910   4.982 -11.297
  323    HA   VAL  44           HA       VAL  44 118.839   2.938 -10.826
  324    HB   VAL  44           HB       VAL  44 119.969   3.642 -13.538
  325   HG11  VAL  44          HG11      VAL  44 117.678   2.359 -14.050
  326   HG12  VAL  44          HG12      VAL  44 118.096   1.591 -12.519
  327   HG13  VAL  44          HG13      VAL  44 119.224   1.530 -13.873
  328   HG21  VAL  44          HG21      VAL  44 117.204   4.310 -12.551
  329   HG22  VAL  44          HG22      VAL  44 117.983   4.827 -14.046
  330   HG23  VAL  44          HG23      VAL  44 118.545   5.454 -12.497
  331    H    LYS  45           HN       LYS  45 119.576   0.926 -10.510
  332    HA   LYS  45           HA       LYS  45 120.959  -0.859 -10.295
  333    HB2  LYS  45           HB2      LYS  45 121.215  -0.060 -12.907
  334    HB3  LYS  45           HB1      LYS  45 122.888  -0.069 -12.366
  335    HG2  LYS  45           HG2      LYS  45 122.090  -2.439 -11.392
  336    HG3  LYS  45           HG1      LYS  45 121.015  -2.307 -12.785
  337    HD2  LYS  45           HD2      LYS  45 122.737  -3.161 -13.944
  338    HD3  LYS  45           HD1      LYS  45 123.405  -1.531 -13.850
  339    HE2  LYS  45           HE2      LYS  45 125.145  -2.937 -13.138
  340    HE3  LYS  45           HE1      LYS  45 124.468  -2.266 -11.655
  341    HZ1  LYS  45           HZ1      LYS  45 124.879  -4.645 -11.465
  342    HZ2  LYS  45           HZ2      LYS  45 123.846  -4.951 -12.768
  343    HZ3  LYS  45           HZ3      LYS  45 123.226  -4.309 -11.332
  344    H    THR  46           HN       THR  46 121.737  -0.236  -8.263
  345    HA   THR  46           HA       THR  46 124.035   1.462  -7.982
  346    HB   THR  46           HB       THR  46 123.311  -0.324  -5.737
  347    HG1  THR  46           HG1      THR  46 121.256   0.001  -5.998
  348   HG21  THR  46          HG21      THR  46 122.972   2.338  -5.018
  349   HG22  THR  46          HG22      THR  46 124.356   2.326  -6.112
  350   HG23  THR  46          HG23      THR  46 124.357   1.302  -4.675
  351    H    VAL  47           HN       VAL  47 126.077   0.839  -7.101
  352    HA   VAL  47           HA       VAL  47 126.925  -1.823  -8.000
  353    HB   VAL  47           HB       VAL  47 128.696   0.503  -7.243
  354   HG11  VAL  47          HG11      VAL  47 130.222  -0.841  -8.878
  355   HG12  VAL  47          HG12      VAL  47 129.151  -2.182  -8.469
  356   HG13  VAL  47          HG13      VAL  47 130.056  -1.358  -7.199
  357   HG21  VAL  47          HG21      VAL  47 127.541   1.374  -9.060
  358   HG22  VAL  47          HG22      VAL  47 127.392  -0.196  -9.847
  359   HG23  VAL  47          HG23      VAL  47 128.949   0.630  -9.819
  360    H    TRP  48           HN       TRP  48 126.689   0.188  -5.140
  361    HA   TRP  48           HA       TRP  48 128.365  -1.486  -3.515
  362    HB2  TRP  48           HB2      TRP  48 126.467   0.759  -2.829
  363    HB3  TRP  48           HB1      TRP  48 127.425  -0.097  -1.629
  364    HD1  TRP  48           HD1      TRP  48 127.813   2.328  -4.584
  365    HE1  TRP  48           HE1      TRP  48 130.098   3.496  -4.382
  366    HE3  TRP  48           HE3      TRP  48 129.741  -0.327  -0.661
  367    HZ2  TRP  48           HZ2      TRP  48 132.411   3.317  -2.773
  368    HZ3  TRP  48           HZ3      TRP  48 131.996   0.233   0.148
  369    HH2  TRP  48           HH2      TRP  48 133.303   2.019  -0.888
  370    H    VAL  49           HN       VAL  49 127.772  -2.941  -1.946
  371    HA   VAL  49           HA       VAL  49 125.072  -4.065  -2.220
  372    HB   VAL  49           HB       VAL  49 127.445  -5.309  -0.831
  373   HG11  VAL  49          HG11      VAL  49 125.586  -6.456  -0.080
  374   HG12  VAL  49          HG12      VAL  49 126.069  -7.411  -1.481
  375   HG13  VAL  49          HG13      VAL  49 124.725  -6.277  -1.609
  376   HG21  VAL  49          HG21      VAL  49 127.324  -4.786  -3.525
  377   HG22  VAL  49          HG22      VAL  49 126.711  -6.436  -3.417
  378   HG23  VAL  49          HG23      VAL  49 128.299  -6.041  -2.760
  379    H    GLU  50           HN       GLU  50 123.889  -4.724  -0.295
  380    HA   GLU  50           HA       GLU  50 124.559  -3.069   2.052
  381    HB2  GLU  50           HB2      GLU  50 122.475  -2.413   0.924
  382    HB3  GLU  50           HB1      GLU  50 121.850  -4.043   1.121
  383    HG2  GLU  50           HG2      GLU  50 122.720  -2.687   3.589
  384    HG3  GLU  50           HG1      GLU  50 121.300  -2.016   2.789
  385    H    GLY  51           HN       GLY  51 125.140  -4.115   3.833
  386    HA2  GLY  51           HA2      GLY  51 124.269  -6.920   4.166
  387    HA3  GLY  51           HA1      GLY  51 125.848  -6.337   4.662
  388    H    LEU  52           HN       LEU  52 123.968  -7.696   6.337
  389    HA   LEU  52           HA       LEU  52 123.162  -5.552   8.187
  390    HB2  LEU  52           HB2      LEU  52 121.445  -7.232   7.263
  391    HB3  LEU  52           HB1      LEU  52 122.204  -8.397   8.332
  392    HG   LEU  52           HG       LEU  52 121.745  -6.564  10.164
  393   HD11  LEU  52          HD11      LEU  52 120.774  -5.161   8.090
  394   HD12  LEU  52          HD12      LEU  52 120.200  -4.974   9.747
  395   HD13  LEU  52          HD13      LEU  52 119.304  -5.984   8.613
  396   HD21  LEU  52          HD21      LEU  52 119.320  -8.028   9.216
  397   HD22  LEU  52          HD22      LEU  52 119.934  -7.810  10.855
  398   HD23  LEU  52          HD23      LEU  52 120.736  -8.932   9.756
  399    H    SER  53           HN       SER  53 124.196  -5.339  10.051
  400    HA   SER  53           HA       SER  53 125.869  -7.566  11.013
  401    HB2  SER  53           HB2      SER  53 127.357  -5.863  10.256
  402    HB3  SER  53           HB1      SER  53 126.402  -4.592  11.016
  403    HG   SER  53           HG       SER  53 128.224  -5.059  12.268
  404    H    GLU  54           HN       GLU  54 126.074  -7.813  13.288
  405    HA   GLU  54           HA       GLU  54 123.798  -7.760  14.787
  406    HB2  GLU  54           HB2      GLU  54 126.255  -8.683  15.251
  407    HB3  GLU  54           HB1      GLU  54 126.332  -7.242  16.257
  408    HG2  GLU  54           HG2      GLU  54 123.884  -8.438  16.870
  409    HG3  GLU  54           HG1      GLU  54 125.039  -9.763  16.755
  410    H    ASP  55           HN       ASP  55 123.070  -6.498  16.584
  411    HA   ASP  55           HA       ASP  55 122.500  -4.599  17.684
  412    HB2  ASP  55           HB2      ASP  55 125.302  -4.119  16.969
  413    HB3  ASP  55           HB1      ASP  55 124.366  -2.644  17.181
  414    H    GLY  56           HN       GLY  56 122.377  -4.946  14.479
  415    HA2  GLY  56           HA2      GLY  56 121.014  -3.891  12.943
  416    HA3  GLY  56           HA1      GLY  56 120.683  -2.653  14.141
  417    H    PHE  57           HN       PHE  57 123.667  -3.770  12.544
  418    HA   PHE  57           HA       PHE  57 124.185  -0.972  11.768
  419    HB2  PHE  57           HB2      PHE  57 126.143  -3.215  12.317
  420    HB3  PHE  57           HB1      PHE  57 126.593  -1.630  11.703
  421    HD1  PHE  57           HD2      PHE  57 125.198   0.273  13.279
  422    HD2  PHE  57           HD1      PHE  57 126.816  -3.475  14.476
  423    HE1  PHE  57           HE2      PHE  57 125.387   1.096  15.590
  424    HE2  PHE  57           HE1      PHE  57 127.008  -2.661  16.786
  425    HZ   PHE  57           HZ       PHE  57 126.293  -0.372  17.348
  426    H    THR  58           HN       THR  58 124.190  -0.526   9.652
  427    HA   THR  58           HA       THR  58 124.176  -2.778   7.773
  428    HB   THR  58           HB       THR  58 123.544   0.051   7.000
  429    HG1  THR  58           HG1      THR  58 121.767  -1.761   8.273
  430   HG21  THR  58          HG21      THR  58 121.876  -2.147   6.045
  431   HG22  THR  58          HG22      THR  58 123.565  -2.240   5.546
  432   HG23  THR  58          HG23      THR  58 122.611  -0.806   5.167
  433    H    TYR  59           HN       TYR  59 125.936  -3.235   6.666
  434    HA   TYR  59           HA       TYR  59 127.933  -1.117   6.225
  435    HB2  TYR  59           HB2      TYR  59 129.657  -2.766   6.275
  436    HB3  TYR  59           HB1      TYR  59 128.631  -3.062   7.672
  437    HD1  TYR  59           HD1      TYR  59 127.167  -5.033   7.745
  438    HD2  TYR  59           HD2      TYR  59 129.805  -4.353   4.477
  439    HE1  TYR  59           HE1      TYR  59 126.891  -7.372   7.044
  440    HE2  TYR  59           HE2      TYR  59 129.538  -6.688   3.764
  441    HH   TYR  59           HH       TYR  59 128.335  -9.068   5.672
  442    H    TYR  60           HN       TYR  60 128.861  -0.888   4.177
  443    HA   TYR  60           HA       TYR  60 127.491  -2.377   2.036
  444    HB2  TYR  60           HB2      TYR  60 128.507   0.444   1.734
  445    HB3  TYR  60           HB1      TYR  60 127.396  -0.430   0.688
  446    HD1  TYR  60           HD1      TYR  60 125.138  -1.175   1.846
  447    HD2  TYR  60           HD2      TYR  60 127.639   1.973   3.250
  448    HE1  TYR  60           HE1      TYR  60 123.231  -0.205   3.057
  449    HE2  TYR  60           HE2      TYR  60 125.740   2.945   4.465
  450    HH   TYR  60           HH       TYR  60 123.397   1.804   5.450
  451    H    TYR  61           HN       TYR  61 128.677  -3.108   0.311
  452    HA   TYR  61           HA       TYR  61 131.597  -2.717   0.468
  453    HB2  TYR  61           HB2      TYR  61 130.849  -4.992   1.172
  454    HB3  TYR  61           HB1      TYR  61 130.156  -5.221  -0.428
  455    HD1  TYR  61           HD1      TYR  61 131.684  -5.288  -2.421
  456    HD2  TYR  61           HD2      TYR  61 133.159  -5.339   1.569
  457    HE1  TYR  61           HE1      TYR  61 133.837  -6.151  -3.235
  458    HE2  TYR  61           HE2      TYR  61 135.318  -6.201   0.767
  459    HH   TYR  61           HH       TYR  61 135.792  -7.586  -2.116
  460    H    ASN  62           HN       ASN  62 132.731  -2.499  -1.465
  461    HA   ASN  62           HA       ASN  62 131.066  -2.033  -3.856
  462    HB2  ASN  62           HB2      ASN  62 132.228  -0.032  -2.891
  463    HB3  ASN  62           HB1      ASN  62 133.766  -0.819  -3.229
  464   HD21  ASN  62          HD21      ASN  62 133.731   1.441  -4.356
  465   HD22  ASN  62          HD22      ASN  62 133.313   1.397  -6.032
  466    H    THR  63           HN       THR  63 131.391  -3.303  -5.558
  467    HA   THR  63           HA       THR  63 133.453  -5.311  -5.504
  468    HB   THR  63           HB       THR  63 132.424  -6.206  -7.484
  469    HG1  THR  63           HG1      THR  63 130.917  -3.804  -7.613
  470   HG21  THR  63          HG21      THR  63 130.765  -5.487  -5.215
  471   HG22  THR  63          HG22      THR  63 130.895  -7.009  -6.095
  472   HG23  THR  63          HG23      THR  63 129.842  -5.729  -6.698
  473    H    GLU  64           HN       GLU  64 132.930  -2.261  -7.128
  474    HA   GLU  64           HA       GLU  64 134.682  -2.473  -9.267
  475    HB2  GLU  64           HB2      GLU  64 133.138  -0.596  -8.944
  476    HB3  GLU  64           HB1      GLU  64 134.085  -0.042  -7.571
  477    HG2  GLU  64           HG2      GLU  64 136.021   0.225  -9.140
  478    HG3  GLU  64           HG1      GLU  64 134.899  -0.093 -10.462
  479    H    THR  65           HN       THR  65 135.395  -1.159  -6.019
  480    HA   THR  65           HA       THR  65 138.256  -1.300  -6.596
  481    HB   THR  65           HB       THR  65 138.409  -0.205  -4.278
  482    HG1  THR  65           HG1      THR  65 135.722   0.502  -4.681
  483   HG21  THR  65          HG21      THR  65 138.798   1.475  -5.687
  484   HG22  THR  65          HG22      THR  65 137.129   1.941  -5.360
  485   HG23  THR  65          HG23      THR  65 137.514   0.980  -6.788
  486    H    GLY  66           HN       GLY  66 135.823  -2.805  -4.555
  487    HA2  GLY  66           HA2      GLY  66 135.923  -4.904  -3.565
  488    HA3  GLY  66           HA1      GLY  66 137.619  -5.006  -4.012
  489    H    GLU  67           HN       GLU  67 135.610  -2.906  -1.923
  490    HA   GLU  67           HA       GLU  67 137.284  -3.610   0.357
  491    HB2  GLU  67           HB2      GLU  67 138.355  -1.641  -0.762
  492    HB3  GLU  67           HB1      GLU  67 136.890  -0.723  -0.444
  493    HG2  GLU  67           HG2      GLU  67 137.219  -0.914   1.928
  494    HG3  GLU  67           HG1      GLU  67 138.588  -1.999   1.690
  495    H    SER  68           HN       SER  68 136.255  -3.452   2.311
  496    HA   SER  68           HA       SER  68 133.396  -3.221   2.248
  497    HB2  SER  68           HB2      SER  68 133.488  -3.828   4.615
  498    HB3  SER  68           HB1      SER  68 134.543  -4.887   3.680
  499    HG   SER  68           HG       SER  68 135.266  -2.724   5.358
  500    H    ARG  69           HN       ARG  69 132.108  -1.666   3.189
  501    HA   ARG  69           HA       ARG  69 133.429   0.727   4.268
  502    HB2  ARG  69           HB2      ARG  69 132.783   0.964   1.823
  503    HB3  ARG  69           HB1      ARG  69 131.108   0.841   2.341
  504    HG2  ARG  69           HG2      ARG  69 131.188   2.877   3.481
  505    HG3  ARG  69           HG1      ARG  69 132.953   2.903   3.490
  506    HD2  ARG  69           HD2      ARG  69 133.093   3.633   1.329
  507    HD3  ARG  69           HD1      ARG  69 131.578   2.867   0.856
  508    HE   ARG  69           HE       ARG  69 130.464   4.780   1.431
  509   HH11  ARG  69          HH11      ARG  69 133.697   4.916   2.767
  510   HH12  ARG  69          HH12      ARG  69 133.555   6.564   3.274
  511   HH21  ARG  69          HH21      ARG  69 130.276   6.953   2.109
  512   HH22  ARG  69          HH22      ARG  69 131.609   7.724   2.900
  513    H    TRP  70           HN       TRP  70 132.013   2.093   5.554
  514    HA   TRP  70           HA       TRP  70 129.677   0.660   6.636
  515    HB2  TRP  70           HB2      TRP  70 131.811   2.163   8.162
  516    HB3  TRP  70           HB1      TRP  70 130.282   1.651   8.870
  517    HD1  TRP  70           HD1      TRP  70 133.658   0.307   7.737
  518    HE1  TRP  70           HE1      TRP  70 133.901  -2.129   8.528
  519    HE3  TRP  70           HE3      TRP  70 128.898  -0.478   9.435
  520    HZ2  TRP  70           HZ2      TRP  70 132.291  -4.121   9.713
  521    HZ3  TRP  70           HZ3      TRP  70 128.333  -2.677  10.383
  522    HH2  TRP  70           HH2      TRP  70 129.996  -4.460  10.518
  523    H    GLU  71           HN       GLU  71 131.275   3.833   6.332
  524    HA   GLU  71           HA       GLU  71 128.946   5.342   6.974
  525    HB2  GLU  71           HB2      GLU  71 131.683   5.878   6.412
  526    HB3  GLU  71           HB1      GLU  71 130.718   6.854   5.314
  527    HG2  GLU  71           HG2      GLU  71 129.898   8.155   6.966
  528    HG3  GLU  71           HG1      GLU  71 129.878   6.844   8.144
  529    H    LYS  72           HN       LYS  72 127.331   6.081   5.693
  530    HA   LYS  72           HA       LYS  72 126.992   4.923   3.106
  531    HB2  LYS  72           HB2      LYS  72 125.214   5.616   4.887
  532    HB3  LYS  72           HB1      LYS  72 125.316   7.196   4.121
  533    HG2  LYS  72           HG2      LYS  72 124.471   6.397   2.095
  534    HG3  LYS  72           HG1      LYS  72 124.798   4.716   2.520
  535    HD2  LYS  72           HD2      LYS  72 122.447   5.046   2.714
  536    HD3  LYS  72           HD1      LYS  72 123.096   4.946   4.352
  537    HE2  LYS  72           HE2      LYS  72 122.880   7.638   3.112
  538    HE3  LYS  72           HE1      LYS  72 121.385   6.846   3.606
  539    HZ1  LYS  72           HZ1      LYS  72 122.515   6.513   5.829
  540    HZ2  LYS  72           HZ2      LYS  72 122.076   8.100   5.442
  541    HZ3  LYS  72           HZ3      LYS  72 123.689   7.613   5.301
  542    HA   PRO  73           HA       PRO  73 129.038   8.104   0.759
  543    HB2  PRO  73           HB2      PRO  73 128.188   7.406  -1.710
  544    HB3  PRO  73           HB1      PRO  73 129.396   6.470  -0.822
  545    HG2  PRO  73           HG2      PRO  73 126.467   5.960  -1.148
  546    HG3  PRO  73           HG1      PRO  73 127.818   4.814  -1.220
  547    HD2  PRO  73           HD2      PRO  73 126.236   5.123   0.978
  548    HD3  PRO  73           HD1      PRO  73 127.936   4.622   1.072
  549    H    ASP  74           HN       ASP  74 128.561   9.942  -0.608
  550    HA   ASP  74           HA       ASP  74 125.723  10.716  -0.613
  551    HB2  ASP  74           HB2      ASP  74 127.630  11.828   1.031
  552    HB3  ASP  74           HB1      ASP  74 127.613  12.941  -0.332
  553    H    ASP  75           HN       ASP  75 124.987  11.142  -2.565
  554    HA   ASP  75           HA       ASP  75 124.820  11.812  -4.722
  555    HB2  ASP  75           HB2      ASP  75 126.930  13.532  -3.653
  556    HB3  ASP  75           HB1      ASP  75 127.088  13.256  -5.383
  Start of MODEL    6
    1    H1   ASP   1           HT1      ASP   1  93.452  -2.034  12.073
    2    H2   ASP   1           HT2      ASP   1  93.550  -2.159  13.781
    3    H3   ASP   1           HT3      ASP   1  92.199  -2.810  12.948
    4    HA   ASP   1           HA       ASP   1  93.816  -4.463  13.692
    5    HB2  ASP   1           HB2      ASP   1  93.145  -4.060  10.779
    6    HB3  ASP   1           HB1      ASP   1  93.960  -5.515  11.342
    7    HA   PRO   2           HA       PRO   2  98.138  -3.824  13.085
    8    HB2  PRO   2           HB2      PRO   2  99.052  -6.347  12.619
    9    HB3  PRO   2           HB1      PRO   2  98.538  -5.783  14.213
   10    HG2  PRO   2           HG2      PRO   2  97.032  -7.409  12.203
   11    HG3  PRO   2           HG1      PRO   2  97.130  -7.616  13.962
   12    HD2  PRO   2           HD2      PRO   2  95.010  -6.452  12.759
   13    HD3  PRO   2           HD1      PRO   2  95.573  -5.964  14.370
   14    H    SER   3           HN       SER   3  98.743  -2.727  11.312
   15    HA   SER   3           HA       SER   3  98.687  -4.115   8.713
   16    HB2  SER   3           HB2      SER   3  97.261  -2.047   8.930
   17    HB3  SER   3           HB1      SER   3  98.745  -1.124   9.163
   18    HG   SER   3           HG       SER   3  98.749  -1.032   7.064
   19    H    LYS   4           HN       LYS   4 100.655  -4.915   8.288
   20    HA   LYS   4           HA       LYS   4 102.917  -3.125   8.166
   21    HB2  LYS   4           HB2      LYS   4 102.804  -4.071  10.548
   22    HB3  LYS   4           HB1      LYS   4 103.240  -5.615   9.830
   23    HG2  LYS   4           HG2      LYS   4 105.370  -4.944   9.333
   24    HG3  LYS   4           HG1      LYS   4 104.927  -3.239   9.227
   25    HD2  LYS   4           HD2      LYS   4 105.340  -2.888  11.400
   26    HD3  LYS   4           HD1      LYS   4 104.510  -4.369  11.884
   27    HE2  LYS   4           HE2      LYS   4 106.548  -5.630  11.105
   28    HE3  LYS   4           HE1      LYS   4 107.354  -4.071  10.937
   29    HZ1  LYS   4           HZ1      LYS   4 106.544  -5.493  13.368
   30    HZ2  LYS   4           HZ2      LYS   4 106.538  -3.802  13.399
   31    HZ3  LYS   4           HZ3      LYS   4 107.966  -4.636  13.044
   32    H    GLY   5           HN       GLY   5 104.539  -3.836   6.776
   33    HA2  GLY   5           HA2      GLY   5 104.363  -6.533   5.669
   34    HA3  GLY   5           HA1      GLY   5 104.060  -5.208   4.557
   35    H    ARG   6           HN       ARG   6 105.966  -6.501   3.595
   36    HA   ARG   6           HA       ARG   6 108.497  -5.364   4.591
   37    HB2  ARG   6           HB2      ARG   6 108.099  -7.881   2.950
   38    HB3  ARG   6           HB1      ARG   6 109.643  -7.249   3.503
   39    HG2  ARG   6           HG2      ARG   6 108.267  -7.457   5.846
   40    HG3  ARG   6           HG1      ARG   6 107.632  -8.825   4.930
   41    HD2  ARG   6           HD2      ARG   6 110.079  -9.386   4.425
   42    HD3  ARG   6           HD1      ARG   6 110.477  -8.244   5.708
   43    HE   ARG   6           HE       ARG   6 108.573 -10.250   6.498
   44   HH11  ARG   6          HH11      ARG   6 111.991  -9.524   6.184
   45   HH12  ARG   6          HH12      ARG   6 112.470 -10.676   7.384
   46   HH21  ARG   6          HH21      ARG   6 109.222 -11.773   8.078
   47   HH22  ARG   6          HH22      ARG   6 110.902 -11.950   8.457
   48    H    TRP   7           HN       TRP   7 108.674  -3.510   3.443
   49    HA   TRP   7           HA       TRP   7 108.491  -3.714   0.505
   50    HB2  TRP   7           HB2      TRP   7 108.002  -1.313   2.284
   51    HB3  TRP   7           HB1      TRP   7 108.016  -1.268   0.525
   52    HD1  TRP   7           HD1      TRP   7 105.945  -2.662   3.452
   53    HE1  TRP   7           HE1      TRP   7 103.558  -3.126   2.611
   54    HE3  TRP   7           HE3      TRP   7 106.636  -1.713  -1.527
   55    HZ2  TRP   7           HZ2      TRP   7 102.154  -3.094   0.164
   56    HZ3  TRP   7           HZ3      TRP   7 104.718  -1.955  -3.049
   57    HH2  TRP   7           HH2      TRP   7 102.524  -2.631  -2.219
   58    H    VAL   8           HN       VAL   8 110.035  -2.640  -0.753
   59    HA   VAL   8           HA       VAL   8 112.550  -2.024   0.660
   60    HB   VAL   8           HB       VAL   8 112.412  -2.821  -2.236
   61   HG11  VAL   8          HG11      VAL   8 114.492  -1.843  -1.473
   62   HG12  VAL   8          HG12      VAL   8 114.721  -3.559  -1.807
   63   HG13  VAL   8          HG13      VAL   8 114.576  -2.997  -0.142
   64   HG21  VAL   8          HG21      VAL   8 112.355  -4.615   0.169
   65   HG22  VAL   8          HG22      VAL   8 113.068  -5.144  -1.355
   66   HG23  VAL   8          HG23      VAL   8 111.367  -4.683  -1.291
   67    H    GLU   9           HN       GLU   9 113.835  -0.274  -0.108
   68    HA   GLU   9           HA       GLU   9 112.274   1.763  -1.538
   69    HB2  GLU   9           HB2      GLU   9 113.151   2.319   0.737
   70    HB3  GLU   9           HB1      GLU   9 114.784   2.149   0.106
   71    HG2  GLU   9           HG2      GLU   9 114.502   4.005  -1.351
   72    HG3  GLU   9           HG1      GLU   9 112.775   4.084  -1.015
   73    H    GLY  10           HN       GLY  10 112.842   2.466  -3.494
   74    HA2  GLY  10           HA2      GLY  10 115.558   1.883  -4.475
   75    HA3  GLY  10           HA1      GLY  10 114.159   1.429  -5.434
   76    H    ILE  11           HN       ILE  11 116.391   3.281  -6.020
   77    HA   ILE  11           HA       ILE  11 114.922   5.818  -6.304
   78    HB   ILE  11           HB       ILE  11 117.880   5.396  -6.726
   79   HG12  ILE  11          HG12      ILE  11 117.278   4.845  -4.398
   80   HG13  ILE  11          HG11      ILE  11 118.230   6.322  -4.491
   81   HG21  ILE  11          HG21      ILE  11 117.385   7.376  -7.779
   82   HG22  ILE  11          HG22      ILE  11 117.751   7.943  -6.149
   83   HG23  ILE  11          HG23      ILE  11 116.074   7.769  -6.666
   84   HD11  ILE  11          HD11      ILE  11 115.756   5.930  -3.229
   85   HD12  ILE  11          HD12      ILE  11 115.456   6.984  -4.611
   86   HD13  ILE  11          HD13      ILE  11 116.663   7.432  -3.405
   87    H    THR  12           HN       THR  12 114.762   6.848  -8.306
   88    HA   THR  12           HA       THR  12 115.621   5.301 -10.651
   89    HB   THR  12           HB       THR  12 113.381   6.318 -11.657
   90    HG1  THR  12           HG1      THR  12 112.698   5.923  -8.932
   91   HG21  THR  12          HG21      THR  12 112.156   4.242 -10.976
   92   HG22  THR  12          HG22      THR  12 113.572   3.817 -10.015
   93   HG23  THR  12          HG23      THR  12 113.713   3.994 -11.764
   94    H    SER  13           HN       SER  13 115.685   6.580 -12.655
   95    HA   SER  13           HA       SER  13 117.285   8.794 -12.529
   96    HB2  SER  13           HB2      SER  13 115.247   8.407 -14.723
   97    HB3  SER  13           HB1      SER  13 116.844   9.148 -14.847
   98    HG   SER  13           HG       SER  13 117.717   7.054 -14.340
   99    H    GLU  14           HN       GLU  14 116.972  11.041 -12.893
  100    HA   GLU  14           HA       GLU  14 115.922  13.071 -12.804
  101    HB2  GLU  14           HB2      GLU  14 113.840  11.514 -13.643
  102    HB3  GLU  14           HB1      GLU  14 113.230  12.108 -12.104
  103    HG2  GLU  14           HG2      GLU  14 114.375  13.937 -14.186
  104    HG3  GLU  14           HG1      GLU  14 112.678  13.463 -14.171
  105    H    GLY  15           HN       GLY  15 114.400  10.803 -10.481
  106    HA2  GLY  15           HA2      GLY  15 115.484  11.221  -8.160
  107    HA3  GLY  15           HA1      GLY  15 114.781  12.817  -8.373
  108    H    TYR  16           HN       TYR  16 113.580   9.516  -9.002
  109    HA   TYR  16           HA       TYR  16 111.225  10.167  -7.352
  110    HB2  TYR  16           HB2      TYR  16 111.285   8.083  -9.534
  111    HB3  TYR  16           HB1      TYR  16 109.880   8.791  -8.750
  112    HD1  TYR  16           HD2      TYR  16 109.873  11.512  -9.001
  113    HD2  TYR  16           HD1      TYR  16 111.659   8.748 -11.703
  114    HE1  TYR  16           HE2      TYR  16 109.693  13.169 -10.808
  115    HE2  TYR  16           HE1      TYR  16 111.481  10.399 -13.514
  116    HH   TYR  16           HH       TYR  16 109.601  13.210 -13.271
  117    H    HIS  17           HN       HIS  17 110.559   8.717  -5.802
  118    HA   HIS  17           HA       HIS  17 112.409   6.487  -5.285
  119    HB2  HIS  17           HB2      HIS  17 110.655   8.094  -3.424
  120    HB3  HIS  17           HB1      HIS  17 111.470   6.613  -2.935
  121    HD1  HIS  17           HD1      HIS  17 113.380   7.283  -1.516
  122    HD2  HIS  17           HD2      HIS  17 112.972   9.762  -4.828
  123    HE1  HIS  17           HE1      HIS  17 115.325   8.873  -1.410
  124    HE2  HIS  17           HE2      HIS  17 115.116  10.291  -3.481
  125    H    TYR  18           HN       TYR  18 111.682   4.549  -5.792
  126    HA   TYR  18           HA       TYR  18 108.785   4.046  -5.688
  127    HB2  TYR  18           HB2      TYR  18 109.014   2.459  -7.437
  128    HB3  TYR  18           HB1      TYR  18 109.943   3.867  -7.935
  129    HD1  TYR  18           HD1      TYR  18 112.461   3.800  -7.699
  130    HD2  TYR  18           HD2      TYR  18 110.025   0.342  -7.242
  131    HE1  TYR  18           HE1      TYR  18 114.429   2.374  -8.061
  132    HE2  TYR  18           HE2      TYR  18 111.987  -1.094  -7.602
  133    HH   TYR  18           HH       TYR  18 114.604  -0.319  -8.997
  134    H    TYR  19           HN       TYR  19 108.038   2.043  -4.860
  135    HA   TYR  19           HA       TYR  19 109.983   0.637  -3.149
  136    HB2  TYR  19           HB2      TYR  19 107.091   1.169  -2.434
  137    HB3  TYR  19           HB1      TYR  19 108.316   0.424  -1.411
  138    HD1  TYR  19           HD2      TYR  19 110.404   1.898  -0.877
  139    HD2  TYR  19           HD1      TYR  19 106.690   3.455  -2.250
  140    HE1  TYR  19           HE2      TYR  19 111.006   4.106   0.017
  141    HE2  TYR  19           HE1      TYR  19 107.287   5.669  -1.367
  142    HH   TYR  19           HH       TYR  19 110.250   6.185   0.487
  143    H    TYR  20           HN       TYR  20 109.637  -1.598  -2.816
  144    HA   TYR  20           HA       TYR  20 107.684  -2.851  -4.632
  145    HB2  TYR  20           HB2      TYR  20 109.810  -3.058  -5.721
  146    HB3  TYR  20           HB1      TYR  20 110.589  -3.573  -4.231
  147    HD1  TYR  20           HD2      TYR  20 110.338  -5.855  -3.419
  148    HD2  TYR  20           HD1      TYR  20 108.466  -4.602  -7.028
  149    HE1  TYR  20           HE2      TYR  20 109.941  -8.204  -4.017
  150    HE2  TYR  20           HE1      TYR  20 108.063  -6.949  -7.640
  151    HH   TYR  20           HH       TYR  20 109.466  -9.345  -6.770
  152    H    ASP  21           HN       ASP  21 106.813  -4.833  -3.984
  153    HA   ASP  21           HA       ASP  21 107.246  -5.509  -1.147
  154    HB2  ASP  21           HB2      ASP  21 104.943  -4.613  -1.967
  155    HB3  ASP  21           HB1      ASP  21 104.747  -6.221  -2.655
  156    H    LEU  22           HN       LEU  22 107.982  -7.482  -0.691
  157    HA   LEU  22           HA       LEU  22 108.448  -9.350  -2.854
  158    HB2  LEU  22           HB2      LEU  22 109.446 -10.743  -0.911
  159    HB3  LEU  22           HB1      LEU  22 110.291  -9.319  -1.478
  160    HG   LEU  22           HG       LEU  22 108.436  -8.882   0.785
  161   HD11  LEU  22          HD11      LEU  22 109.193 -10.748   1.831
  162   HD12  LEU  22          HD12      LEU  22 110.532  -9.671   2.226
  163   HD13  LEU  22          HD13      LEU  22 110.683 -10.810   0.889
  164   HD21  LEU  22          HD21      LEU  22 110.848  -7.823   1.437
  165   HD22  LEU  22          HD22      LEU  22 109.611  -6.984   0.503
  166   HD23  LEU  22          HD23      LEU  22 110.934  -7.802  -0.325
  167    H    ILE  23           HN       ILE  23 106.457  -9.191   0.064
  168    HA   ILE  23           HA       ILE  23 105.522 -11.839   0.046
  169    HB   ILE  23           HB       ILE  23 103.989  -9.412   0.994
  170   HG12  ILE  23          HG12      ILE  23 105.414 -11.041   2.982
  171   HG13  ILE  23          HG11      ILE  23 106.479 -10.187   1.870
  172   HG21  ILE  23          HG21      ILE  23 103.682 -11.890   2.483
  173   HG22  ILE  23          HG22      ILE  23 103.170 -12.041   0.803
  174   HG23  ILE  23          HG23      ILE  23 102.457 -10.800   1.832
  175   HD11  ILE  23          HD11      ILE  23 104.650  -9.128   3.940
  176   HD12  ILE  23          HD12      ILE  23 104.894  -8.166   2.482
  177   HD13  ILE  23          HD13      ILE  23 106.273  -8.615   3.484
  178    H    SER  24           HN       SER  24 104.062  -8.893  -1.335
  179    HA   SER  24           HA       SER  24 102.017 -10.443  -2.679
  180    HB2  SER  24           HB2      SER  24 102.626  -7.496  -2.507
  181    HB3  SER  24           HB1      SER  24 101.408  -8.126  -3.615
  182    HG   SER  24           HG       SER  24 101.312  -7.813  -0.897
  183    H    GLY  25           HN       GLY  25 104.906  -8.572  -3.557
  184    HA2  GLY  25           HA2      GLY  25 106.308  -8.970  -5.387
  185    HA3  GLY  25           HA1      GLY  25 105.100 -10.062  -6.047
  186    H    ALA  26           HN       ALA  26 104.556  -6.723  -5.009
  187    HA   ALA  26           HA       ALA  26 104.128  -5.975  -7.826
  188    HB1  ALA  26           HB1      ALA  26 101.938  -6.023  -7.223
  189    HB2  ALA  26           HB2      ALA  26 102.321  -4.396  -6.662
  190    HB3  ALA  26           HB3      ALA  26 102.283  -5.737  -5.518
  191    H    SER  27           HN       SER  27 104.589  -3.840  -8.396
  192    HA   SER  27           HA       SER  27 106.455  -2.501  -6.593
  193    HB2  SER  27           HB2      SER  27 107.172  -1.230  -8.537
  194    HB3  SER  27           HB1      SER  27 107.127  -2.943  -8.953
  195    HG   SER  27           HG       SER  27 106.081  -2.001 -10.602
  196    H    GLN  28           HN       GLN  28 106.199  -0.436  -5.836
  197    HA   GLN  28           HA       GLN  28 103.713   0.980  -6.497
  198    HB2  GLN  28           HB2      GLN  28 103.898  -0.434  -4.205
  199    HB3  GLN  28           HB1      GLN  28 104.593   1.088  -3.668
  200    HG2  GLN  28           HG2      GLN  28 102.553   1.873  -3.368
  201    HG3  GLN  28           HG1      GLN  28 102.274   1.749  -5.105
  202   HE21  GLN  28          HE21      GLN  28 101.763   0.276  -2.001
  203   HE22  GLN  28          HE22      GLN  28 100.593  -0.885  -2.518
  204    H    TRP  29           HN       TRP  29 103.763   3.273  -5.607
  205    HA   TRP  29           HA       TRP  29 106.508   4.345  -5.626
  206    HB2  TRP  29           HB2      TRP  29 104.115   5.563  -7.015
  207    HB3  TRP  29           HB1      TRP  29 105.738   6.242  -6.969
  208    HD1  TRP  29           HD1      TRP  29 103.775   3.311  -8.502
  209    HE1  TRP  29           HE1      TRP  29 105.072   2.443 -10.547
  210    HE3  TRP  29           HE3      TRP  29 108.011   6.140  -8.040
  211    HZ2  TRP  29           HZ2      TRP  29 107.559   2.897 -11.801
  212    HZ3  TRP  29           HZ3      TRP  29 109.801   5.862  -9.706
  213    HH2  TRP  29           HH2      TRP  29 109.577   4.273 -11.546
  214    H    GLU  30           HN       GLU  30 103.958   3.926  -3.691
  215    HA   GLU  30           HA       GLU  30 104.295   6.532  -2.361
  216    HB2  GLU  30           HB2      GLU  30 101.854   4.767  -2.570
  217    HB3  GLU  30           HB1      GLU  30 101.995   6.046  -1.372
  218    HG2  GLU  30           HG2      GLU  30 101.426   7.596  -2.847
  219    HG3  GLU  30           HG1      GLU  30 102.633   7.033  -4.001
  220    H    LYS  31           HN       LYS  31 105.299   6.399  -0.459
  221    HA   LYS  31           HA       LYS  31 106.075   3.950   0.693
  222    HB2  LYS  31           HB2      LYS  31 107.083   6.357   0.929
  223    HB3  LYS  31           HB1      LYS  31 105.983   6.483   2.295
  224    HG2  LYS  31           HG2      LYS  31 107.045   4.284   3.091
  225    HG3  LYS  31           HG1      LYS  31 108.320   4.648   1.925
  226    HD2  LYS  31           HD2      LYS  31 107.602   6.916   3.628
  227    HD3  LYS  31           HD1      LYS  31 108.229   5.530   4.522
  228    HE2  LYS  31           HE2      LYS  31 110.064   5.546   2.647
  229    HE3  LYS  31           HE1      LYS  31 109.563   7.225   2.459
  230    HZ1  LYS  31           HZ1      LYS  31 110.104   6.319   5.179
  231    HZ2  LYS  31           HZ2      LYS  31 110.440   7.805   4.443
  232    HZ3  LYS  31           HZ3      LYS  31 111.442   6.474   4.154
  233    HA   PRO  32           HA       PRO  32 102.202   2.955   2.732
  234    HB2  PRO  32           HB2      PRO  32 103.873   0.958   4.130
  235    HB3  PRO  32           HB1      PRO  32 102.425   0.722   3.148
  236    HG2  PRO  32           HG2      PRO  32 104.852   0.027   2.256
  237    HG3  PRO  32           HG1      PRO  32 103.613   0.681   1.168
  238    HD2  PRO  32           HD2      PRO  32 106.007   2.029   2.349
  239    HD3  PRO  32           HD1      PRO  32 105.308   2.187   0.723
  240    H    GLU  33           HN       GLU  33 101.601   2.404   5.100
  241    HA   GLU  33           HA       GLU  33 102.412   4.575   6.733
  242    HB2  GLU  33           HB2      GLU  33 100.174   3.234   6.712
  243    HB3  GLU  33           HB1      GLU  33 101.007   2.165   7.832
  244    HG2  GLU  33           HG2      GLU  33 101.388   4.854   8.686
  245    HG3  GLU  33           HG1      GLU  33  99.672   4.589   8.379
  246    H    GLY  34           HN       GLY  34 103.313   1.175   6.606
  247    HA2  GLY  34           HA2      GLY  34 105.174   1.607   8.855
  248    HA3  GLY  34           HA1      GLY  34 104.545   0.044   8.361
  249    H    PHE  35           HN       PHE  35 106.878   2.547   7.698
  250    HA   PHE  35           HA       PHE  35 108.407   0.633   6.098
  251    HB2  PHE  35           HB2      PHE  35 107.088   2.273   4.626
  252    HB3  PHE  35           HB1      PHE  35 108.170   3.518   5.240
  253    HD1  PHE  35           HD2      PHE  35 108.027   0.365   3.318
  254    HD2  PHE  35           HD1      PHE  35 110.362   3.760   4.388
  255    HE1  PHE  35           HE2      PHE  35 109.682  -0.231   1.598
  256    HE2  PHE  35           HE1      PHE  35 112.018   3.166   2.670
  257    HZ   PHE  35           HZ       PHE  35 111.679   1.166   1.274
  258    H    GLN  36           HN       GLN  36 110.709   1.298   5.859
  259    HA   GLN  36           HA       GLN  36 112.704   1.984   6.703
  260    HB2  GLN  36           HB2      GLN  36 111.126   4.230   6.822
  261    HB3  GLN  36           HB1      GLN  36 111.653   4.071   8.490
  262    HG2  GLN  36           HG2      GLN  36 113.980   4.072   7.764
  263    HG3  GLN  36           HG1      GLN  36 113.461   4.198   6.085
  264   HE21  GLN  36          HE21      GLN  36 115.182   6.038   7.103
  265   HE22  GLN  36          HE22      GLN  36 114.391   7.564   7.280
  266    H    GLY  37           HN       GLY  37 113.165   3.088   9.386
  267    HA2  GLY  37           HA2      GLY  37 112.241   0.848  11.064
  268    HA3  GLY  37           HA1      GLY  37 113.939   1.286  11.012
  269    H    ASP  38           HN       ASP  38 114.195   1.895  13.122
  270    HA   ASP  38           HA       ASP  38 113.307   4.506  13.851
  271    HB2  ASP  38           HB2      ASP  38 112.072   3.852  15.896
  272    HB3  ASP  38           HB1      ASP  38 111.261   3.325  14.426
  273    H    LEU  39           HN       LEU  39 113.988   4.952  16.256
  274    HA   LEU  39           HA       LEU  39 115.622   5.041  17.841
  275    HB2  LEU  39           HB2      LEU  39 115.687   2.211  17.009
  276    HB3  LEU  39           HB1      LEU  39 117.160   2.797  17.752
  277    HG   LEU  39           HG       LEU  39 115.658   1.718  19.365
  278   HD11  LEU  39          HD11      LEU  39 115.410   3.927  20.842
  279   HD12  LEU  39          HD12      LEU  39 116.516   4.533  19.609
  280   HD13  LEU  39          HD13      LEU  39 116.953   3.119  20.567
  281   HD21  LEU  39          HD21      LEU  39 113.490   2.063  18.675
  282   HD22  LEU  39          HD22      LEU  39 113.743   3.780  18.364
  283   HD23  LEU  39          HD23      LEU  39 113.621   3.192  20.022
  284    H    LYS  40           HN       LYS  40 118.073   5.026  18.092
  285    HA   LYS  40           HA       LYS  40 119.309   5.700  15.506
  286    HB2  LYS  40           HB2      LYS  40 118.937   7.378  17.625
  287    HB3  LYS  40           HB1      LYS  40 120.557   6.778  17.948
  288    HG2  LYS  40           HG2      LYS  40 121.171   8.494  16.635
  289    HG3  LYS  40           HG1      LYS  40 120.788   7.371  15.329
  290    HD2  LYS  40           HD2      LYS  40 119.629   9.271  14.696
  291    HD3  LYS  40           HD1      LYS  40 118.387   8.347  15.542
  292    HE2  LYS  40           HE2      LYS  40 118.416   9.741  17.382
  293    HE3  LYS  40           HE1      LYS  40 120.057  10.302  17.062
  294    HZ1  LYS  40           HZ1      LYS  40 118.595  12.072  16.554
  295    HZ2  LYS  40           HZ2      LYS  40 117.573  11.081  15.640
  296    HZ3  LYS  40           HZ3      LYS  40 119.120  11.457  15.068
  297    H    LYS  41           HN       LYS  41 121.803   5.585  15.662
  298    HA   LYS  41           HA       LYS  41 123.721   4.402  15.956
  299    HB2  LYS  41           HB2      LYS  41 122.668   4.348  18.435
  300    HB3  LYS  41           HB1      LYS  41 122.659   2.628  18.072
  301    HG2  LYS  41           HG2      LYS  41 124.916   2.462  18.126
  302    HG3  LYS  41           HG1      LYS  41 125.161   4.090  17.491
  303    HD2  LYS  41           HD2      LYS  41 125.769   4.583  19.600
  304    HD3  LYS  41           HD1      LYS  41 124.032   4.629  19.905
  305    HE2  LYS  41           HE2      LYS  41 124.084   2.767  21.157
  306    HE3  LYS  41           HE1      LYS  41 125.181   1.943  20.051
  307    HZ1  LYS  41           HZ1      LYS  41 126.300   4.101  21.672
  308    HZ2  LYS  41           HZ2      LYS  41 126.998   2.638  21.188
  309    HZ3  LYS  41           HZ3      LYS  41 125.902   2.666  22.476
  310    H    THR  42           HN       THR  42 124.435   2.810  14.683
  311    HA   THR  42           HA       THR  42 122.937   0.324  14.460
  312    HB   THR  42           HB       THR  42 123.279   0.639  11.846
  313    HG1  THR  42           HG1      THR  42 124.157   2.662  11.824
  314   HG21  THR  42          HG21      THR  42 121.096   0.530  13.343
  315   HG22  THR  42          HG22      THR  42 121.049   0.929  11.626
  316   HG23  THR  42          HG23      THR  42 120.981   2.214  12.833
  317    H    ALA  43           HN       ALA  43 124.323  -1.307  14.547
  318    HA   ALA  43           HA       ALA  43 126.874  -1.135  13.147
  319    HB1  ALA  43           HB1      ALA  43 127.542  -0.325  15.272
  320    HB2  ALA  43           HB2      ALA  43 128.078  -2.003  15.174
  321    HB3  ALA  43           HB3      ALA  43 126.643  -1.588  16.113
  322    H    VAL  44           HN       VAL  44 126.280  -2.752  11.766
  323    HA   VAL  44           HA       VAL  44 126.151  -5.441  12.924
  324    HB   VAL  44           HB       VAL  44 124.293  -4.578  10.703
  325   HG11  VAL  44          HG11      VAL  44 124.163  -7.064  12.393
  326   HG12  VAL  44          HG12      VAL  44 125.031  -6.993  10.859
  327   HG13  VAL  44          HG13      VAL  44 123.291  -6.710  10.902
  328   HG21  VAL  44          HG21      VAL  44 123.322  -3.470  12.466
  329   HG22  VAL  44          HG22      VAL  44 123.908  -4.628  13.660
  330   HG23  VAL  44          HG23      VAL  44 122.556  -5.052  12.610
  331    H    LYS  45           HN       LYS  45 127.305  -6.944  11.814
  332    HA   LYS  45           HA       LYS  45 129.012  -6.044   9.690
  333    HB2  LYS  45           HB2      LYS  45 129.663  -7.686  11.506
  334    HB3  LYS  45           HB1      LYS  45 128.685  -8.882  10.667
  335    HG2  LYS  45           HG2      LYS  45 130.103  -8.492   8.640
  336    HG3  LYS  45           HG1      LYS  45 131.151  -7.491   9.648
  337    HD2  LYS  45           HD2      LYS  45 131.502  -9.422  11.146
  338    HD3  LYS  45           HD1      LYS  45 130.516 -10.412  10.067
  339    HE2  LYS  45           HE2      LYS  45 132.158 -10.609   8.534
  340    HE3  LYS  45           HE1      LYS  45 132.716  -8.953   8.768
  341    HZ1  LYS  45           HZ1      LYS  45 134.462 -10.038   9.676
  342    HZ2  LYS  45           HZ2      LYS  45 133.561 -11.404  10.100
  343    HZ3  LYS  45           HZ3      LYS  45 133.490 -10.014  11.061
  344    H    THR  46           HN       THR  46 128.108  -5.721   7.752
  345    HA   THR  46           HA       THR  46 126.251  -7.737   6.690
  346    HB   THR  46           HB       THR  46 125.707  -5.928   5.000
  347    HG1  THR  46           HG1      THR  46 127.618  -4.678   5.353
  348   HG21  THR  46          HG21      THR  46 125.150  -4.662   7.597
  349   HG22  THR  46          HG22      THR  46 124.597  -6.325   7.403
  350   HG23  THR  46          HG23      THR  46 124.063  -5.080   6.273
  351    H    VAL  47           HN       VAL  47 126.365  -7.712   4.125
  352    HA   VAL  47           HA       VAL  47 129.123  -8.442   3.454
  353    HB   VAL  47           HB       VAL  47 127.307 -10.121   3.155
  354   HG11  VAL  47          HG11      VAL  47 125.773  -9.921   1.269
  355   HG12  VAL  47          HG12      VAL  47 126.395  -8.308   0.924
  356   HG13  VAL  47          HG13      VAL  47 125.525  -8.616   2.426
  357   HG21  VAL  47          HG21      VAL  47 129.490  -9.614   1.575
  358   HG22  VAL  47          HG22      VAL  47 128.192  -9.794   0.396
  359   HG23  VAL  47          HG23      VAL  47 128.523 -11.089   1.546
  360    H    TRP  48           HN       TRP  48 128.014  -5.646   3.466
  361    HA   TRP  48           HA       TRP  48 128.509  -4.971   0.643
  362    HB2  TRP  48           HB2      TRP  48 126.974  -3.392   2.720
  363    HB3  TRP  48           HB1      TRP  48 127.253  -2.890   1.057
  364    HD1  TRP  48           HD1      TRP  48 125.411  -5.674   3.016
  365    HE1  TRP  48           HE1      TRP  48 123.407  -6.451   1.602
  366    HE3  TRP  48           HE3      TRP  48 126.260  -2.894  -1.190
  367    HZ2  TRP  48           HZ2      TRP  48 122.331  -5.954  -0.961
  368    HZ3  TRP  48           HZ3      TRP  48 124.697  -3.103  -3.079
  369    HH2  TRP  48           HH2      TRP  48 122.773  -4.603  -2.964
  370    H    VAL  49           HN       VAL  49 130.047  -3.478   0.141
  371    HA   VAL  49           HA       VAL  49 131.839  -2.680   2.321
  372    HB   VAL  49           HB       VAL  49 132.881  -3.907   0.468
  373   HG11  VAL  49          HG11      VAL  49 131.838  -1.636  -1.209
  374   HG12  VAL  49          HG12      VAL  49 131.520  -3.361  -1.392
  375   HG13  VAL  49          HG13      VAL  49 133.125  -2.717  -1.740
  376   HG21  VAL  49          HG21      VAL  49 134.112  -2.126   1.747
  377   HG22  VAL  49          HG22      VAL  49 133.794  -1.036   0.397
  378   HG23  VAL  49          HG23      VAL  49 134.764  -2.487   0.149
  379    H    GLU  50           HN       GLU  50 132.343  -0.553   2.742
  380    HA   GLU  50           HA       GLU  50 130.525   1.417   1.603
  381    HB2  GLU  50           HB2      GLU  50 131.015   1.155   4.107
  382    HB3  GLU  50           HB1      GLU  50 132.565   1.912   3.769
  383    HG2  GLU  50           HG2      GLU  50 130.305   3.391   2.680
  384    HG3  GLU  50           HG1      GLU  50 130.241   3.206   4.430
  385    H    GLY  51           HN       GLY  51 131.082   2.724   0.006
  386    HA2  GLY  51           HA2      GLY  51 133.954   3.239  -0.462
  387    HA3  GLY  51           HA1      GLY  51 132.783   3.060  -1.759
  388    H    LEU  52           HN       LEU  52 134.496   5.293  -1.453
  389    HA   LEU  52           HA       LEU  52 132.615   7.413  -0.656
  390    HB2  LEU  52           HB2      LEU  52 134.856   7.290   0.491
  391    HB3  LEU  52           HB1      LEU  52 135.591   7.686  -1.051
  392    HG   LEU  52           HG       LEU  52 133.902   9.744  -0.901
  393   HD11  LEU  52          HD11      LEU  52 133.973  10.526   1.520
  394   HD12  LEU  52          HD12      LEU  52 134.309   8.846   1.935
  395   HD13  LEU  52          HD13      LEU  52 132.805   9.267   1.117
  396   HD21  LEU  52          HD21      LEU  52 135.738  11.037  -0.492
  397   HD22  LEU  52          HD22      LEU  52 136.535   9.511  -0.877
  398   HD23  LEU  52          HD23      LEU  52 136.324   9.995   0.805
  399    H    SER  53           HN       SER  53 131.983   8.939  -2.086
  400    HA   SER  53           HA       SER  53 133.130   8.847  -4.796
  401    HB2  SER  53           HB2      SER  53 130.532   8.084  -4.073
  402    HB3  SER  53           HB1      SER  53 130.356   9.687  -4.787
  403    HG   SER  53           HG       SER  53 130.561   8.720  -6.629
  404    H    GLU  54           HN       GLU  54 133.083  10.807  -5.981
  405    HA   GLU  54           HA       GLU  54 133.893  13.082  -4.703
  406    HB2  GLU  54           HB2      GLU  54 133.290  12.361  -7.354
  407    HB3  GLU  54           HB1      GLU  54 132.378  13.833  -7.041
  408    HG2  GLU  54           HG2      GLU  54 134.223  15.116  -6.919
  409    HG3  GLU  54           HG1      GLU  54 135.186  13.856  -6.150
  410    H    ASP  55           HN       ASP  55 132.940  15.124  -4.273
  411    HA   ASP  55           HA       ASP  55 131.401  16.555  -3.440
  412    HB2  ASP  55           HB2      ASP  55 129.788  14.913  -5.301
  413    HB3  ASP  55           HB1      ASP  55 128.888  15.819  -4.092
  414    H    GLY  56           HN       GLY  56 131.967  13.688  -2.212
  415    HA2  GLY  56           HA2      GLY  56 131.576  12.831  -0.110
  416    HA3  GLY  56           HA1      GLY  56 130.532  14.206   0.201
  417    H    PHE  57           HN       PHE  57 130.567  11.208  -1.743
  418    HA   PHE  57           HA       PHE  57 127.807  10.717  -0.844
  419    HB2  PHE  57           HB2      PHE  57 128.837  10.283  -3.660
  420    HB3  PHE  57           HB1      PHE  57 127.244   9.821  -3.075
  421    HD1  PHE  57           HD2      PHE  57 126.223  12.051  -1.650
  422    HD2  PHE  57           HD1      PHE  57 128.695  12.032  -5.113
  423    HE1  PHE  57           HE2      PHE  57 125.373  14.277  -2.265
  424    HE2  PHE  57           HE1      PHE  57 127.853  14.254  -5.734
  425    HZ   PHE  57           HZ       PHE  57 126.188  15.381  -4.310
  426    H    THR  58           HN       THR  58 127.891   8.960   0.394
  427    HA   THR  58           HA       THR  58 129.950   6.970   0.038
  428    HB   THR  58           HB       THR  58 127.616   6.670   1.905
  429    HG1  THR  58           HG1      THR  58 129.885   8.327   2.310
  430   HG21  THR  58          HG21      THR  58 129.482   4.935   1.636
  431   HG22  THR  58          HG22      THR  58 129.027   5.445   3.262
  432   HG23  THR  58          HG23      THR  58 130.482   6.096   2.508
  433    H    TYR  59           HN       TYR  59 129.809   5.289  -1.265
  434    HA   TYR  59           HA       TYR  59 127.147   4.296  -2.037
  435    HB2  TYR  59           HB2      TYR  59 128.019   3.658  -4.161
  436    HB3  TYR  59           HB1      TYR  59 128.570   5.302  -3.865
  437    HD1  TYR  59           HD1      TYR  59 130.930   5.769  -3.452
  438    HD2  TYR  59           HD2      TYR  59 129.576   1.807  -4.213
  439    HE1  TYR  59           HE1      TYR  59 133.247   5.063  -3.871
  440    HE2  TYR  59           HE2      TYR  59 131.888   1.090  -4.631
  441    HH   TYR  59           HH       TYR  59 134.440   2.453  -3.676
  442    H    TYR  60           HN       TYR  60 126.767   2.064  -2.065
  443    HA   TYR  60           HA       TYR  60 128.822   0.446  -0.698
  444    HB2  TYR  60           HB2      TYR  60 125.813   0.307  -0.409
  445    HB3  TYR  60           HB1      TYR  60 126.938  -0.844   0.304
  446    HD1  TYR  60           HD2      TYR  60 128.684   0.075   1.948
  447    HD2  TYR  60           HD1      TYR  60 125.242   2.267   0.741
  448    HE1  TYR  60           HE2      TYR  60 128.913   1.516   3.926
  449    HE2  TYR  60           HE1      TYR  60 125.466   3.715   2.712
  450    HH   TYR  60           HH       TYR  60 126.720   3.220   5.227
  451    H    TYR  61           HN       TYR  61 129.212  -1.611  -1.441
  452    HA   TYR  61           HA       TYR  61 127.711  -2.472  -3.826
  453    HB2  TYR  61           HB2      TYR  61 129.832  -1.602  -4.590
  454    HB3  TYR  61           HB1      TYR  61 130.702  -2.548  -3.389
  455    HD1  TYR  61           HD2      TYR  61 128.757  -2.747  -6.527
  456    HD2  TYR  61           HD1      TYR  61 131.267  -4.829  -3.792
  457    HE1  TYR  61           HE2      TYR  61 129.007  -4.575  -8.155
  458    HE2  TYR  61           HE1      TYR  61 131.524  -6.659  -5.412
  459    HH   TYR  61           HH       TYR  61 131.346  -7.016  -7.840
  460    H    ASN  62           HN       ASN  62 127.477  -4.710  -4.131
  461    HA   ASN  62           HA       ASN  62 128.063  -6.346  -1.748
  462    HB2  ASN  62           HB2      ASN  62 125.642  -5.889  -2.185
  463    HB3  ASN  62           HB1      ASN  62 125.802  -6.733  -3.719
  464   HD21  ASN  62          HD21      ASN  62 123.965  -7.846  -2.457
  465   HD22  ASN  62          HD22      ASN  62 124.429  -9.252  -1.567
  466    H    THR  63           HN       THR  63 129.200  -8.171  -1.994
  467    HA   THR  63           HA       THR  63 130.335  -8.780  -4.577
  468    HB   THR  63           HB       THR  63 131.607 -10.518  -3.342
  469    HG1  THR  63           HG1      THR  63 130.437  -9.522  -0.972
  470   HG21  THR  63          HG21      THR  63 131.622  -7.772  -2.127
  471   HG22  THR  63          HG22      THR  63 132.641  -8.384  -3.429
  472   HG23  THR  63          HG23      THR  63 132.832  -9.011  -1.792
  473    H    GLU  64           HN       GLU  64 127.853 -10.107  -2.497
  474    HA   GLU  64           HA       GLU  64 127.672 -12.692  -3.539
  475    HB2  GLU  64           HB2      GLU  64 126.515 -12.018  -1.504
  476    HB3  GLU  64           HB1      GLU  64 125.493 -10.920  -2.420
  477    HG2  GLU  64           HG2      GLU  64 125.166 -13.403  -3.640
  478    HG3  GLU  64           HG1      GLU  64 125.176 -13.733  -1.909
  479    H    THR  65           HN       THR  65 125.495  -9.965  -4.348
  480    HA   THR  65           HA       THR  65 124.674 -11.293  -6.784
  481    HB   THR  65           HB       THR  65 122.998 -10.087  -5.497
  482    HG1  THR  65           HG1      THR  65 123.513  -8.686  -7.910
  483   HG21  THR  65          HG21      THR  65 124.717  -7.673  -5.960
  484   HG22  THR  65          HG22      THR  65 124.152  -8.338  -4.429
  485   HG23  THR  65          HG23      THR  65 123.009  -7.576  -5.534
  486    H    GLY  66           HN       GLY  66 126.735  -8.583  -5.867
  487    HA2  GLY  66           HA2      GLY  66 128.493  -7.686  -7.094
  488    HA3  GLY  66           HA1      GLY  66 127.987  -8.641  -8.476
  489    H    GLU  67           HN       GLU  67 126.243  -6.219  -6.528
  490    HA   GLU  67           HA       GLU  67 126.039  -4.530  -8.924
  491    HB2  GLU  67           HB2      GLU  67 123.956  -6.059  -8.131
  492    HB3  GLU  67           HB1      GLU  67 123.662  -4.625  -7.159
  493    HG2  GLU  67           HG2      GLU  67 123.298  -3.285  -9.008
  494    HG3  GLU  67           HG1      GLU  67 124.173  -4.365 -10.090
  495    H    SER  68           HN       SER  68 126.228  -2.379  -8.577
  496    HA   SER  68           HA       SER  68 127.083  -1.523  -5.960
  497    HB2  SER  68           HB2      SER  68 127.318   0.730  -7.177
  498    HB3  SER  68           HB1      SER  68 128.352  -0.591  -7.716
  499    HG   SER  68           HG       SER  68 126.344   0.725  -9.047
  500    H    ARG  69           HN       ARG  69 126.096  -0.050  -4.621
  501    HA   ARG  69           HA       ARG  69 123.380   0.826  -5.323
  502    HB2  ARG  69           HB2      ARG  69 123.502  -1.257  -3.806
  503    HB3  ARG  69           HB1      ARG  69 124.070  -0.153  -2.562
  504    HG2  ARG  69           HG2      ARG  69 122.034   0.703  -2.213
  505    HG3  ARG  69           HG1      ARG  69 121.635   0.722  -3.932
  506    HD2  ARG  69           HD2      ARG  69 121.817  -1.986  -2.991
  507    HD3  ARG  69           HD1      ARG  69 120.718  -1.066  -1.966
  508    HE   ARG  69           HE       ARG  69 120.263  -1.900  -4.656
  509   HH11  ARG  69          HH11      ARG  69 119.528   0.635  -2.350
  510   HH12  ARG  69          HH12      ARG  69 118.030   1.061  -3.105
  511   HH21  ARG  69          HH21      ARG  69 118.289  -1.325  -5.655
  512   HH22  ARG  69          HH22      ARG  69 117.326  -0.052  -4.982
  513    H    TRP  70           HN       TRP  70 122.613   2.663  -4.064
  514    HA   TRP  70           HA       TRP  70 124.787   4.250  -2.862
  515    HB2  TRP  70           HB2      TRP  70 122.588   5.271  -4.677
  516    HB3  TRP  70           HB1      TRP  70 123.787   6.273  -3.866
  517    HD1  TRP  70           HD1      TRP  70 123.498   3.656  -6.672
  518    HE1  TRP  70           HE1      TRP  70 125.525   3.915  -8.235
  519    HE3  TRP  70           HE3      TRP  70 126.139   7.131  -4.008
  520    HZ2  TRP  70           HZ2      TRP  70 127.926   5.397  -8.327
  521    HZ3  TRP  70           HZ3      TRP  70 128.292   7.916  -4.903
  522    HH2  TRP  70           HH2      TRP  70 129.166   7.064  -7.018
  523    H    GLU  71           HN       GLU  71 123.030   2.615  -1.407
  524    HA   GLU  71           HA       GLU  71 121.728   4.621   0.259
  525    HB2  GLU  71           HB2      GLU  71 120.321   2.488  -1.255
  526    HB3  GLU  71           HB1      GLU  71 119.813   2.740   0.409
  527    HG2  GLU  71           HG2      GLU  71 119.990   4.983  -1.578
  528    HG3  GLU  71           HG1      GLU  71 118.544   3.996  -1.380
  529    H    LYS  72           HN       LYS  72 121.821   4.145   2.409
  530    HA   LYS  72           HA       LYS  72 123.535   2.011   3.238
  531    HB2  LYS  72           HB2      LYS  72 121.846   3.903   4.890
  532    HB3  LYS  72           HB1      LYS  72 123.082   2.830   5.528
  533    HG2  LYS  72           HG2      LYS  72 124.816   4.073   4.621
  534    HG3  LYS  72           HG1      LYS  72 123.768   4.859   3.439
  535    HD2  LYS  72           HD2      LYS  72 123.044   5.342   6.247
  536    HD3  LYS  72           HD1      LYS  72 124.610   5.997   5.763
  537    HE2  LYS  72           HE2      LYS  72 123.140   7.736   5.291
  538    HE3  LYS  72           HE1      LYS  72 123.340   6.943   3.729
  539    HZ1  LYS  72           HZ1      LYS  72 121.248   5.885   3.953
  540    HZ2  LYS  72           HZ2      LYS  72 121.000   7.511   4.345
  541    HZ3  LYS  72           HZ3      LYS  72 121.090   6.351   5.573
  542    HA   PRO  73           HA       PRO  73 120.327  -1.146   3.294
  543    HB2  PRO  73           HB2      PRO  73 122.367  -2.447   5.041
  544    HB3  PRO  73           HB1      PRO  73 121.500  -3.095   3.643
  545    HG2  PRO  73           HG2      PRO  73 124.044  -2.354   3.424
  546    HG3  PRO  73           HG1      PRO  73 122.888  -2.032   2.119
  547    HD2  PRO  73           HD2      PRO  73 124.037  -0.155   4.138
  548    HD3  PRO  73           HD1      PRO  73 123.627   0.129   2.434
  549    H    ASP  74           HN       ASP  74 118.719  -0.263   4.521
  550    HA   ASP  74           HA       ASP  74 118.984   0.196   7.340
  551    HB2  ASP  74           HB2      ASP  74 117.320   1.183   5.409
  552    HB3  ASP  74           HB1      ASP  74 116.259   0.047   6.234
  553    H    ASP  75           HN       ASP  75 117.352  -0.729   8.894
  554    HA   ASP  75           HA       ASP  75 116.380  -2.469   9.993
  555    HB2  ASP  75           HB2      ASP  75 115.781  -2.997   7.233
  556    HB3  ASP  75           HB1      ASP  75 116.135  -4.520   8.040
  Start of MODEL    7
    1    H1   ASP   1           HT1      ASP   1  97.711   6.431  12.894
    2    H2   ASP   1           HT2      ASP   1  98.066   8.023  13.423
    3    H3   ASP   1           HT3      ASP   1  99.266   6.801  13.507
    4    HA   ASP   1           HA       ASP   1  98.626   6.695  10.947
    5    HB2  ASP   1           HB2      ASP   1  97.402   9.029  11.840
    6    HB3  ASP   1           HB1      ASP   1  98.893   9.594  11.090
    7    HA   PRO   2           HA       PRO   2 102.832   8.897  11.358
    8    HB2  PRO   2           HB2      PRO   2 103.515  10.236  13.579
    9    HB3  PRO   2           HB1      PRO   2 102.517  10.972  12.321
   10    HG2  PRO   2           HG2      PRO   2 101.699   9.795  14.943
   11    HG3  PRO   2           HG1      PRO   2 101.113  11.263  14.140
   12    HD2  PRO   2           HD2      PRO   2  99.806   8.837  14.100
   13    HD3  PRO   2           HD1      PRO   2  99.601  10.106  12.877
   14    H    SER   3           HN       SER   3 104.861   8.132  12.078
   15    HA   SER   3           HA       SER   3 106.301   6.624  12.948
   16    HB2  SER   3           HB2      SER   3 105.948   7.913  14.999
   17    HB3  SER   3           HB1      SER   3 104.556   6.909  15.400
   18    HG   SER   3           HG       SER   3 107.112   5.785  14.970
   19    H    LYS   4           HN       LYS   4 104.426   5.499  11.322
   20    HA   LYS   4           HA       LYS   4 104.516   2.789  12.095
   21    HB2  LYS   4           HB2      LYS   4 101.999   2.423  12.128
   22    HB3  LYS   4           HB1      LYS   4 102.708   3.142  13.565
   23    HG2  LYS   4           HG2      LYS   4 101.804   5.233  13.115
   24    HG3  LYS   4           HG1      LYS   4 101.529   4.856  11.413
   25    HD2  LYS   4           HD2      LYS   4 100.130   3.121  13.340
   26    HD3  LYS   4           HD1      LYS   4  99.604   4.803  13.319
   27    HE2  LYS   4           HE2      LYS   4  99.048   4.694  11.014
   28    HE3  LYS   4           HE1      LYS   4  99.860   3.142  10.821
   29    HZ1  LYS   4           HZ1      LYS   4  97.228   3.740  11.936
   30    HZ2  LYS   4           HZ2      LYS   4  98.090   2.476  12.656
   31    HZ3  LYS   4           HZ3      LYS   4  97.733   2.422  11.004
   32    H    GLY   5           HN       GLY   5 105.535   3.030   9.971
   33    HA2  GLY   5           HA2      GLY   5 103.542   2.994   7.795
   34    HA3  GLY   5           HA1      GLY   5 105.175   3.612   7.599
   35    H    ARG   6           HN       ARG   6 103.170   0.787   7.780
   36    HA   ARG   6           HA       ARG   6 105.355  -1.088   7.641
   37    HB2  ARG   6           HB2      ARG   6 102.364  -1.312   7.555
   38    HB3  ARG   6           HB1      ARG   6 103.358  -2.677   7.070
   39    HG2  ARG   6           HG2      ARG   6 102.941  -3.111   9.294
   40    HG3  ARG   6           HG1      ARG   6 104.528  -2.341   9.346
   41    HD2  ARG   6           HD2      ARG   6 103.749  -0.713  10.643
   42    HD3  ARG   6           HD1      ARG   6 102.475  -0.345   9.482
   43    HE   ARG   6           HE       ARG   6 101.936  -2.634  11.149
   44   HH11  ARG   6          HH11      ARG   6 101.639   0.842  10.838
   45   HH12  ARG   6          HH12      ARG   6 100.317   0.950  11.949
   46   HH21  ARG   6          HH21      ARG   6 100.190  -2.480  12.613
   47   HH22  ARG   6          HH22      ARG   6  99.495  -0.932  12.956
   48    H    TRP   7           HN       TRP   7 106.398  -0.131   5.762
   49    HA   TRP   7           HA       TRP   7 105.096  -0.844   3.213
   50    HB2  TRP   7           HB2      TRP   7 107.260   1.201   3.764
   51    HB3  TRP   7           HB1      TRP   7 106.642   0.797   2.165
   52    HD1  TRP   7           HD1      TRP   7 105.656   2.615   5.382
   53    HE1  TRP   7           HE1      TRP   7 103.610   4.095   4.902
   54    HE3  TRP   7           HE3      TRP   7 104.624   1.035   0.632
   55    HZ2  TRP   7           HZ2      TRP   7 101.794   4.537   2.775
   56    HZ3  TRP   7           HZ3      TRP   7 102.716   2.035  -0.556
   57    HH2  TRP   7           HH2      TRP   7 101.331   3.749   0.495
   58    H    VAL   8           HN       VAL   8 106.049  -2.284   1.881
   59    HA   VAL   8           HA       VAL   8 108.659  -3.378   2.706
   60    HB   VAL   8           HB       VAL   8 106.824  -4.991   2.918
   61   HG11  VAL   8          HG11      VAL   8 106.132  -5.774   0.391
   62   HG12  VAL   8          HG12      VAL   8 106.172  -4.019   0.241
   63   HG13  VAL   8          HG13      VAL   8 105.145  -4.776   1.457
   64   HG21  VAL   8          HG21      VAL   8 108.981  -5.907   2.450
   65   HG22  VAL   8          HG22      VAL   8 108.811  -5.573   0.727
   66   HG23  VAL   8          HG23      VAL   8 107.799  -6.798   1.490
   67    H    GLU   9           HN       GLU   9 110.274  -3.670   1.195
   68    HA   GLU   9           HA       GLU   9 109.926  -2.221  -1.310
   69    HB2  GLU   9           HB2      GLU   9 111.913  -1.896   0.259
   70    HB3  GLU   9           HB1      GLU   9 112.478  -3.463  -0.297
   71    HG2  GLU   9           HG2      GLU   9 111.783  -1.606  -2.448
   72    HG3  GLU   9           HG1      GLU   9 113.113  -1.071  -1.423
   73    H    GLY  10           HN       GLY  10 109.818  -3.118  -3.266
   74    HA2  GLY  10           HA2      GLY  10 110.511  -5.969  -3.549
   75    HA3  GLY  10           HA1      GLY  10 108.973  -5.363  -4.144
   76    H    ILE  11           HN       ILE  11 111.215  -6.642  -5.584
   77    HA   ILE  11           HA       ILE  11 112.132  -4.456  -7.318
   78    HB   ILE  11           HB       ILE  11 112.988  -7.348  -7.428
   79   HG12  ILE  11          HG12      ILE  11 113.505  -6.377  -5.209
   80   HG13  ILE  11          HG11      ILE  11 114.956  -6.727  -6.139
   81   HG21  ILE  11          HG21      ILE  11 113.882  -4.830  -8.751
   82   HG22  ILE  11          HG22      ILE  11 113.635  -6.438  -9.434
   83   HG23  ILE  11          HG23      ILE  11 115.055  -6.110  -8.440
   84   HD11  ILE  11          HD11      ILE  11 115.369  -4.461  -6.552
   85   HD12  ILE  11          HD12      ILE  11 114.892  -4.545  -4.856
   86   HD13  ILE  11          HD13      ILE  11 113.740  -3.988  -6.069
   87    H    THR  12           HN       THR  12 111.688  -4.382  -9.513
   88    HA   THR  12           HA       THR  12 109.774  -6.372 -10.527
   89    HB   THR  12           HB       THR  12 108.970  -4.278 -11.940
   90    HG1  THR  12           HG1      THR  12 109.862  -3.086  -9.526
   91   HG21  THR  12          HG21      THR  12 107.718  -3.826  -9.442
   92   HG22  THR  12          HG22      THR  12 107.988  -5.559  -9.624
   93   HG23  THR  12          HG23      THR  12 107.097  -4.671 -10.860
   94    H    SER  13           HN       SER  13 109.670  -6.496 -12.890
   95    HA   SER  13           HA       SER  13 112.042  -7.104 -14.096
   96    HB2  SER  13           HB2      SER  13 109.613  -6.022 -15.538
   97    HB3  SER  13           HB1      SER  13 110.867  -7.058 -16.220
   98    HG   SER  13           HG       SER  13 109.352  -8.482 -15.660
   99    H    GLU  14           HN       GLU  14 113.365  -6.126 -15.673
  100    HA   GLU  14           HA       GLU  14 114.441  -4.459 -16.801
  101    HB2  GLU  14           HB2      GLU  14 111.933  -3.315 -16.513
  102    HB3  GLU  14           HB1      GLU  14 113.008  -2.137 -15.773
  103    HG2  GLU  14           HG2      GLU  14 113.865  -3.229 -18.371
  104    HG3  GLU  14           HG1      GLU  14 112.439  -2.195 -18.389
  105    H    GLY  15           HN       GLY  15 113.329  -3.294 -13.598
  106    HA2  GLY  15           HA2      GLY  15 115.342  -3.496 -11.972
  107    HA3  GLY  15           HA1      GLY  15 116.063  -2.342 -13.086
  108    H    TYR  16           HN       TYR  16 112.814  -2.646 -11.638
  109    HA   TYR  16           HA       TYR  16 113.107   0.118 -10.648
  110    HB2  TYR  16           HB2      TYR  16 110.485  -1.208 -11.340
  111    HB3  TYR  16           HB1      TYR  16 110.779   0.494 -11.017
  112    HD1  TYR  16           HD2      TYR  16 112.645   1.535 -12.695
  113    HD2  TYR  16           HD1      TYR  16 110.111  -1.783 -13.532
  114    HE1  TYR  16           HE2      TYR  16 112.899   1.953 -15.104
  115    HE2  TYR  16           HE1      TYR  16 110.358  -1.368 -15.942
  116    HH   TYR  16           HH       TYR  16 111.823   1.495 -17.182
  117    H    HIS  17           HN       HIS  17 112.137   0.623  -8.625
  118    HA   HIS  17           HA       HIS  17 111.712  -1.739  -6.917
  119    HB2  HIS  17           HB2      HIS  17 112.870   0.972  -6.293
  120    HB3  HIS  17           HB1      HIS  17 112.327  -0.130  -5.032
  121    HD1  HIS  17           HD1      HIS  17 114.510  -0.810  -4.020
  122    HD2  HIS  17           HD2      HIS  17 114.493  -1.189  -8.158
  123    HE1  HIS  17           HE1      HIS  17 116.653  -1.990  -4.595
  124    HE2  HIS  17           HE2      HIS  17 116.544  -2.344  -7.088
  125    H    TYR  18           HN       TYR  18 109.690  -2.063  -6.341
  126    HA   TYR  18           HA       TYR  18 107.888   0.250  -6.109
  127    HB2  TYR  18           HB2      TYR  18 106.069  -1.119  -6.745
  128    HB3  TYR  18           HB1      TYR  18 107.370  -1.525  -7.855
  129    HD1  TYR  18           HD1      TYR  18 108.682  -3.661  -7.452
  130    HD2  TYR  18           HD2      TYR  18 105.064  -2.763  -5.398
  131    HE1  TYR  18           HE1      TYR  18 108.427  -6.037  -6.874
  132    HE2  TYR  18           HE2      TYR  18 104.801  -5.135  -4.813
  133    HH   TYR  18           HH       TYR  18 105.667  -7.410  -5.916
  134    H    TYR  19           HN       TYR  19 106.392   0.313  -4.363
  135    HA   TYR  19           HA       TYR  19 107.135  -1.411  -2.089
  136    HB2  TYR  19           HB2      TYR  19 106.414   1.528  -1.997
  137    HB3  TYR  19           HB1      TYR  19 106.731   0.512  -0.595
  138    HD1  TYR  19           HD2      TYR  19 109.051  -0.478  -0.323
  139    HD2  TYR  19           HD1      TYR  19 108.180   2.581  -3.155
  140    HE1  TYR  19           HE2      TYR  19 111.443   0.059  -0.474
  141    HE2  TYR  19           HE1      TYR  19 110.572   3.118  -3.316
  142    HH   TYR  19           HH       TYR  19 112.850   1.550  -2.803
  143    H    TYR  20           HN       TYR  20 105.473  -1.968  -0.630
  144    HA   TYR  20           HA       TYR  20 102.739  -1.335  -1.517
  145    HB2  TYR  20           HB2      TYR  20 103.169  -3.539  -2.366
  146    HB3  TYR  20           HB1      TYR  20 103.849  -4.059  -0.829
  147    HD1  TYR  20           HD2      TYR  20 100.746  -3.295  -2.641
  148    HD2  TYR  20           HD1      TYR  20 102.420  -4.692   1.013
  149    HE1  TYR  20           HE2      TYR  20  98.533  -4.108  -1.943
  150    HE2  TYR  20           HE1      TYR  20 100.214  -5.508   1.722
  151    HH   TYR  20           HH       TYR  20  97.831  -5.051   1.231
  152    H    ASP  21           HN       ASP  21 101.160  -1.257   0.070
  153    HA   ASP  21           HA       ASP  21 102.166  -1.201   2.841
  154    HB2  ASP  21           HB2      ASP  21 101.450   1.005   1.843
  155    HB3  ASP  21           HB1      ASP  21  99.816   0.358   1.750
  156    H    LEU  22           HN       LEU  22 101.354  -2.699   4.155
  157    HA   LEU  22           HA       LEU  22  99.165  -4.361   3.301
  158    HB2  LEU  22           HB2      LEU  22  99.507  -5.384   5.640
  159    HB3  LEU  22           HB1      LEU  22 100.750  -5.605   4.428
  160    HG   LEU  22           HG       LEU  22 101.141  -3.264   6.177
  161   HD11  LEU  22          HD11      LEU  22 101.913  -5.805   7.459
  162   HD12  LEU  22          HD12      LEU  22 100.196  -5.404   7.508
  163   HD13  LEU  22          HD13      LEU  22 101.382  -4.283   8.175
  164   HD21  LEU  22          HD21      LEU  22 103.145  -3.537   5.259
  165   HD22  LEU  22          HD22      LEU  22 102.659  -5.078   4.554
  166   HD23  LEU  22          HD23      LEU  22 103.329  -5.026   6.185
  167    H    ILE  23           HN       ILE  23  99.587  -1.673   5.494
  168    HA   ILE  23           HA       ILE  23  97.284  -1.985   7.066
  169    HB   ILE  23           HB       ILE  23  98.499   0.644   6.203
  170   HG12  ILE  23          HG12      ILE  23  99.207  -0.463   8.841
  171   HG13  ILE  23          HG11      ILE  23  99.853  -1.365   7.474
  172   HG21  ILE  23          HG21      ILE  23  97.237   1.675   7.755
  173   HG22  ILE  23          HG22      ILE  23  97.333   0.326   8.887
  174   HG23  ILE  23          HG23      ILE  23  96.187   0.274   7.548
  175   HD11  ILE  23          HD11      ILE  23 101.043   0.777   8.618
  176   HD12  ILE  23          HD12      ILE  23 100.187   1.534   7.275
  177   HD13  ILE  23          HD13      ILE  23 101.331   0.228   6.968
  178    H    SER  24           HN       SER  24  97.721   0.165   4.241
  179    HA   SER  24           HA       SER  24  94.858   0.490   3.980
  180    HB2  SER  24           HB2      SER  24  96.855   2.196   3.475
  181    HB3  SER  24           HB1      SER  24  96.700   1.491   1.866
  182    HG   SER  24           HG       SER  24  94.592   2.173   1.780
  183    H    GLY  25           HN       GLY  25  97.413  -1.333   2.411
  184    HA2  GLY  25           HA2      GLY  25  97.184  -3.198   1.043
  185    HA3  GLY  25           HA1      GLY  25  95.446  -2.933   1.020
  186    H    ALA  26           HN       ALA  26  98.128  -0.787   0.078
  187    HA   ALA  26           HA       ALA  26  97.118  -0.854  -2.684
  188    HB1  ALA  26           HB1      ALA  26  97.357   1.561  -2.869
  189    HB2  ALA  26           HB2      ALA  26  97.861   1.655  -1.181
  190    HB3  ALA  26           HB3      ALA  26  96.223   1.141  -1.586
  191    H    SER  27           HN       SER  27  98.630  -0.365  -4.318
  192    HA   SER  27           HA       SER  27 101.384  -0.970  -3.574
  193    HB2  SER  27           HB2      SER  27 101.444  -0.823  -6.285
  194    HB3  SER  27           HB1      SER  27 101.020  -2.285  -5.396
  195    HG   SER  27           HG       SER  27  99.318  -0.422  -6.659
  196    H    GLN  28           HN       GLN  28 103.146   0.321  -4.099
  197    HA   GLN  28           HA       GLN  28 102.581   3.031  -5.091
  198    HB2  GLN  28           HB2      GLN  28 103.098   2.477  -2.436
  199    HB3  GLN  28           HB1      GLN  28 104.680   2.926  -3.054
  200    HG2  GLN  28           HG2      GLN  28 103.471   4.968  -4.050
  201    HG3  GLN  28           HG1      GLN  28 102.177   4.557  -2.926
  202   HE21  GLN  28          HE21      GLN  28 103.317   6.963  -2.668
  203   HE22  GLN  28          HE22      GLN  28 104.331   7.026  -1.271
  204    H    TRP  29           HN       TRP  29 104.665   4.211  -5.613
  205    HA   TRP  29           HA       TRP  29 106.689   2.349  -6.666
  206    HB2  TRP  29           HB2      TRP  29 105.430   4.713  -8.062
  207    HB3  TRP  29           HB1      TRP  29 106.917   3.950  -8.616
  208    HD1  TRP  29           HD1      TRP  29 103.212   3.672  -8.872
  209    HE1  TRP  29           HE1      TRP  29 102.568   1.559 -10.190
  210    HE3  TRP  29           HE3      TRP  29 107.766   1.347  -8.959
  211    HZ2  TRP  29           HZ2      TRP  29 103.821  -0.784 -11.142
  212    HZ3  TRP  29           HZ3      TRP  29 107.957  -0.828 -10.094
  213    HH2  TRP  29           HH2      TRP  29 106.024  -1.870 -11.161
  214    H    GLU  30           HN       GLU  30 105.986   5.663  -5.597
  215    HA   GLU  30           HA       GLU  30 108.797   6.340  -5.462
  216    HB2  GLU  30           HB2      GLU  30 106.559   7.842  -5.829
  217    HB3  GLU  30           HB1      GLU  30 106.835   8.087  -4.111
  218    HG2  GLU  30           HG2      GLU  30 109.213   8.376  -5.812
  219    HG3  GLU  30           HG1      GLU  30 107.945   9.573  -6.070
  220    H    LYS  31           HN       LYS  31 110.053   6.415  -3.650
  221    HA   LYS  31           HA       LYS  31 109.382   4.795  -1.453
  222    HB2  LYS  31           HB2      LYS  31 111.703   5.565  -2.393
  223    HB3  LYS  31           HB1      LYS  31 111.512   6.896  -1.262
  224    HG2  LYS  31           HG2      LYS  31 111.334   5.323   0.585
  225    HG3  LYS  31           HG1      LYS  31 111.474   3.971  -0.541
  226    HD2  LYS  31           HD2      LYS  31 113.576   6.103  -0.161
  227    HD3  LYS  31           HD1      LYS  31 113.595   4.529   0.636
  228    HE2  LYS  31           HE2      LYS  31 114.562   3.622  -1.145
  229    HE3  LYS  31           HE1      LYS  31 113.198   4.110  -2.148
  230    HZ1  LYS  31           HZ1      LYS  31 115.201   6.143  -1.502
  231    HZ2  LYS  31           HZ2      LYS  31 114.291   5.932  -2.913
  232    HZ3  LYS  31           HZ3      LYS  31 115.634   4.948  -2.619
  233    HA   PRO  32           HA       PRO  32 107.013   7.560   1.096
  234    HB2  PRO  32           HB2      PRO  32 107.419   6.364   3.513
  235    HB3  PRO  32           HB1      PRO  32 106.321   5.721   2.286
  236    HG2  PRO  32           HG2      PRO  32 109.136   4.919   2.919
  237    HG3  PRO  32           HG1      PRO  32 107.730   3.891   2.583
  238    HD2  PRO  32           HD2      PRO  32 109.602   4.402   0.717
  239    HD3  PRO  32           HD1      PRO  32 107.889   4.207   0.296
  240    H    GLU  33           HN       GLU  33 107.328   8.611   3.422
  241    HA   GLU  33           HA       GLU  33 109.665  10.252   3.217
  242    HB2  GLU  33           HB2      GLU  33 107.160  10.303   4.690
  243    HB3  GLU  33           HB1      GLU  33 108.518  10.760   5.708
  244    HG2  GLU  33           HG2      GLU  33 108.565  12.035   3.087
  245    HG3  GLU  33           HG1      GLU  33 107.131  12.424   4.032
  246    H    GLY  34           HN       GLY  34 111.412   8.820   3.473
  247    HA2  GLY  34           HA2      GLY  34 113.110   8.502   5.193
  248    HA3  GLY  34           HA1      GLY  34 111.828   7.972   6.268
  249    H    PHE  35           HN       PHE  35 110.784   5.920   5.806
  250    HA   PHE  35           HA       PHE  35 110.751   3.710   5.295
  251    HB2  PHE  35           HB2      PHE  35 110.984   4.485   2.942
  252    HB3  PHE  35           HB1      PHE  35 112.731   4.371   3.109
  253    HD1  PHE  35           HD2      PHE  35 109.823   2.164   3.929
  254    HD2  PHE  35           HD1      PHE  35 113.622   2.550   2.047
  255    HE1  PHE  35           HE2      PHE  35 109.733  -0.203   3.266
  256    HE2  PHE  35           HE1      PHE  35 113.536   0.183   1.381
  257    HZ   PHE  35           HZ       PHE  35 111.590  -1.197   1.994
  258    H    GLN  36           HN       GLN  36 111.865   1.812   5.824
  259    HA   GLN  36           HA       GLN  36 113.403   0.520   6.885
  260    HB2  GLN  36           HB2      GLN  36 115.427   2.562   5.945
  261    HB3  GLN  36           HB1      GLN  36 115.788   0.955   6.558
  262    HG2  GLN  36           HG2      GLN  36 114.027   0.459   4.503
  263    HG3  GLN  36           HG1      GLN  36 114.985   1.808   3.899
  264   HE21  GLN  36          HE21      GLN  36 116.392   0.948   2.513
  265   HE22  GLN  36          HE22      GLN  36 117.428  -0.395   2.839
  266    H    GLY  37           HN       GLY  37 112.667   0.787   8.946
  267    HA2  GLY  37           HA2      GLY  37 112.911   3.025  10.576
  268    HA3  GLY  37           HA1      GLY  37 112.723   1.377  11.158
  269    H    ASP  38           HN       ASP  38 114.651   0.111  11.536
  270    HA   ASP  38           HA       ASP  38 117.223   1.388  11.475
  271    HB2  ASP  38           HB2      ASP  38 117.623   1.358  13.893
  272    HB3  ASP  38           HB1      ASP  38 116.287   2.429  13.488
  273    H    LEU  39           HN       LEU  39 118.919  -0.035  11.758
  274    HA   LEU  39           HA       LEU  39 118.240  -2.848  12.290
  275    HB2  LEU  39           HB2      LEU  39 120.041  -1.852  10.081
  276    HB3  LEU  39           HB1      LEU  39 119.727  -3.534  10.463
  277    HG   LEU  39           HG       LEU  39 117.358  -1.861   9.848
  278   HD11  LEU  39          HD11      LEU  39 119.596  -2.289   7.960
  279   HD12  LEU  39          HD12      LEU  39 118.407  -0.989   8.041
  280   HD13  LEU  39          HD13      LEU  39 117.962  -2.548   7.348
  281   HD21  LEU  39          HD21      LEU  39 116.914  -4.007   8.485
  282   HD22  LEU  39          HD22      LEU  39 116.853  -4.093  10.245
  283   HD23  LEU  39          HD23      LEU  39 118.278  -4.674   9.384
  284    H    LYS  40           HN       LYS  40 119.371  -3.510  14.008
  285    HA   LYS  40           HA       LYS  40 121.882  -2.202  14.697
  286    HB2  LYS  40           HB2      LYS  40 119.949  -2.804  16.335
  287    HB3  LYS  40           HB1      LYS  40 120.640  -4.420  16.295
  288    HG2  LYS  40           HG2      LYS  40 122.838  -3.350  16.954
  289    HG3  LYS  40           HG1      LYS  40 121.913  -1.882  17.275
  290    HD2  LYS  40           HD2      LYS  40 121.954  -2.888  19.359
  291    HD3  LYS  40           HD1      LYS  40 120.416  -3.458  18.709
  292    HE2  LYS  40           HE2      LYS  40 121.709  -5.259  19.785
  293    HE3  LYS  40           HE1      LYS  40 121.423  -5.564  18.073
  294    HZ1  LYS  40           HZ1      LYS  40 123.604  -5.386  17.583
  295    HZ2  LYS  40           HZ2      LYS  40 123.801  -5.815  19.207
  296    HZ3  LYS  40           HZ3      LYS  40 123.904  -4.191  18.744
  297    H    LYS  41           HN       LYS  41 122.964  -3.144  12.777
  298    HA   LYS  41           HA       LYS  41 124.546  -5.389  13.520
  299    HB2  LYS  41           HB2      LYS  41 122.167  -6.102  12.305
  300    HB3  LYS  41           HB1      LYS  41 123.306  -6.092  10.965
  301    HG2  LYS  41           HG2      LYS  41 124.797  -7.553  12.415
  302    HG3  LYS  41           HG1      LYS  41 123.396  -7.744  13.471
  303    HD2  LYS  41           HD2      LYS  41 122.922  -9.503  12.151
  304    HD3  LYS  41           HD1      LYS  41 122.302  -8.282  11.039
  305    HE2  LYS  41           HE2      LYS  41 125.001  -8.331  10.481
  306    HE3  LYS  41           HE1      LYS  41 124.631 -10.024  10.808
  307    HZ1  LYS  41           HZ1      LYS  41 122.713  -9.709   9.205
  308    HZ2  LYS  41           HZ2      LYS  41 124.263  -9.734   8.531
  309    HZ3  LYS  41           HZ3      LYS  41 123.456  -8.262   8.740
  310    H    THR  42           HN       THR  42 126.353  -5.704  12.150
  311    HA   THR  42           HA       THR  42 126.640  -3.963   9.825
  312    HB   THR  42           HB       THR  42 129.041  -3.461  10.886
  313    HG1  THR  42           HG1      THR  42 128.951  -4.258  12.860
  314   HG21  THR  42          HG21      THR  42 127.092  -1.680  12.121
  315   HG22  THR  42          HG22      THR  42 126.844  -1.929  10.393
  316   HG23  THR  42          HG23      THR  42 128.395  -1.334  10.984
  317    H    ALA  43           HN       ALA  43 128.615  -4.451   8.568
  318    HA   ALA  43           HA       ALA  43 129.618  -7.183   9.032
  319    HB1  ALA  43           HB1      ALA  43 128.041  -7.485   7.311
  320    HB2  ALA  43           HB2      ALA  43 129.607  -7.427   6.501
  321    HB3  ALA  43           HB3      ALA  43 128.549  -6.016   6.477
  322    H    VAL  44           HN       VAL  44 131.703  -6.908   9.531
  323    HA   VAL  44           HA       VAL  44 133.267  -4.758   8.422
  324    HB   VAL  44           HB       VAL  44 133.595  -5.482  10.752
  325   HG11  VAL  44          HG11      VAL  44 133.391  -8.021   9.883
  326   HG12  VAL  44          HG12      VAL  44 134.115  -7.564  11.424
  327   HG13  VAL  44          HG13      VAL  44 135.144  -7.878  10.028
  328   HG21  VAL  44          HG21      VAL  44 136.231  -6.057  10.245
  329   HG22  VAL  44          HG22      VAL  44 135.524  -4.444  10.340
  330   HG23  VAL  44          HG23      VAL  44 135.717  -5.230   8.774
  331    H    LYS  45           HN       LYS  45 132.762  -5.579   6.190
  332    HA   LYS  45           HA       LYS  45 134.892  -7.415   5.319
  333    HB2  LYS  45           HB2      LYS  45 131.999  -7.364   4.494
  334    HB3  LYS  45           HB1      LYS  45 133.235  -8.044   3.444
  335    HG2  LYS  45           HG2      LYS  45 133.875  -9.487   5.471
  336    HG3  LYS  45           HG1      LYS  45 132.305  -9.010   6.121
  337    HD2  LYS  45           HD2      LYS  45 132.263  -9.939   3.332
  338    HD3  LYS  45           HD1      LYS  45 132.724 -11.164   4.515
  339    HE2  LYS  45           HE2      LYS  45 130.575  -9.939   5.712
  340    HE3  LYS  45           HE1      LYS  45 130.130  -9.925   4.006
  341    HZ1  LYS  45           HZ1      LYS  45 129.345 -11.956   4.643
  342    HZ2  LYS  45           HZ2      LYS  45 130.558 -12.209   5.796
  343    HZ3  LYS  45           HZ3      LYS  45 130.901 -12.404   4.150
  344    H    THR  46           HN       THR  46 135.474  -7.140   3.000
  345    HA   THR  46           HA       THR  46 135.178  -4.326   2.166
  346    HB   THR  46           HB       THR  46 137.506  -6.009   1.309
  347    HG1  THR  46           HG1      THR  46 137.767  -6.256   3.437
  348   HG21  THR  46          HG21      THR  46 136.933  -3.105   1.571
  349   HG22  THR  46          HG22      THR  46 137.710  -3.994   0.261
  350   HG23  THR  46          HG23      THR  46 138.593  -3.672   1.753
  351    H    VAL  47           HN       VAL  47 133.326  -6.334   1.418
  352    HA   VAL  47           HA       VAL  47 133.959  -6.840  -1.409
  353    HB   VAL  47           HB       VAL  47 133.309  -8.780   0.017
  354   HG11  VAL  47          HG11      VAL  47 131.554  -7.291   1.245
  355   HG12  VAL  47          HG12      VAL  47 131.257  -9.015   1.026
  356   HG13  VAL  47          HG13      VAL  47 130.483  -7.843  -0.038
  357   HG21  VAL  47          HG21      VAL  47 132.356  -9.840  -1.736
  358   HG22  VAL  47          HG22      VAL  47 132.718  -8.328  -2.566
  359   HG23  VAL  47          HG23      VAL  47 131.099  -8.618  -1.931
  360    H    TRP  48           HN       TRP  48 133.087  -4.250  -0.245
  361    HA   TRP  48           HA       TRP  48 130.517  -3.899  -1.636
  362    HB2  TRP  48           HB2      TRP  48 131.803  -2.257   0.550
  363    HB3  TRP  48           HB1      TRP  48 130.335  -1.788  -0.295
  364    HD1  TRP  48           HD1      TRP  48 131.606  -4.651   1.992
  365    HE1  TRP  48           HE1      TRP  48 129.599  -5.547   3.331
  366    HE3  TRP  48           HE3      TRP  48 127.892  -1.856  -0.141
  367    HZ2  TRP  48           HZ2      TRP  48 126.809  -5.124   3.464
  368    HZ3  TRP  48           HZ3      TRP  48 125.583  -2.163   0.648
  369    HH2  TRP  48           HH2      TRP  48 125.054  -3.764   2.415
  370    H    VAL  49           HN       VAL  49 130.279  -2.332  -3.179
  371    HA   VAL  49           HA       VAL  49 132.767  -1.147  -4.207
  372    HB   VAL  49           HB       VAL  49 131.537  -2.648  -5.747
  373   HG11  VAL  49          HG11      VAL  49 129.358  -2.449  -6.259
  374   HG12  VAL  49          HG12      VAL  49 129.424  -0.688  -6.303
  375   HG13  VAL  49          HG13      VAL  49 129.272  -1.525  -4.760
  376   HG21  VAL  49          HG21      VAL  49 131.701  -1.254  -7.681
  377   HG22  VAL  49          HG22      VAL  49 132.952  -0.743  -6.547
  378   HG23  VAL  49          HG23      VAL  49 131.474   0.205  -6.719
  379    H    GLU  50           HN       GLU  50 132.830   1.038  -4.868
  380    HA   GLU  50           HA       GLU  50 130.922   2.745  -3.443
  381    HB2  GLU  50           HB2      GLU  50 133.332   3.072  -3.027
  382    HB3  GLU  50           HB1      GLU  50 133.571   3.446  -4.728
  383    HG2  GLU  50           HG2      GLU  50 131.577   5.057  -3.232
  384    HG3  GLU  50           HG1      GLU  50 133.282   5.325  -2.881
  385    H    GLY  51           HN       GLY  51 129.340   3.755  -4.480
  386    HA2  GLY  51           HA2      GLY  51 129.640   4.230  -7.381
  387    HA3  GLY  51           HA1      GLY  51 128.112   3.794  -6.633
  388    H    LEU  52           HN       LEU  52 128.545   6.092  -8.268
  389    HA   LEU  52           HA       LEU  52 128.381   8.291  -6.323
  390    HB2  LEU  52           HB2      LEU  52 130.037   8.296  -8.310
  391    HB3  LEU  52           HB1      LEU  52 128.629   8.658  -9.292
  392    HG   LEU  52           HG       LEU  52 128.228  10.679  -7.888
  393   HD11  LEU  52          HD11      LEU  52 130.569   9.566  -6.463
  394   HD12  LEU  52          HD12      LEU  52 129.203  10.500  -5.851
  395   HD13  LEU  52          HD13      LEU  52 130.528  11.316  -6.682
  396   HD21  LEU  52          HD21      LEU  52 130.906  10.464  -9.259
  397   HD22  LEU  52          HD22      LEU  52 130.118  11.978  -8.817
  398   HD23  LEU  52          HD23      LEU  52 129.368  10.908 -10.000
  399    H    SER  53           HN       SER  53 126.529   9.343  -5.992
  400    HA   SER  53           HA       SER  53 124.277   8.834  -7.825
  401    HB2  SER  53           HB2      SER  53 124.096   7.741  -5.560
  402    HB3  SER  53           HB1      SER  53 124.061   9.356  -4.855
  403    HG   SER  53           HG       SER  53 121.958   8.588  -5.187
  404    H    GLU  54           HN       GLU  54 122.765  10.526  -8.128
  405    HA   GLU  54           HA       GLU  54 123.755  13.026  -8.643
  406    HB2  GLU  54           HB2      GLU  54 121.329  11.809  -8.966
  407    HB3  GLU  54           HB1      GLU  54 120.941  13.050  -7.780
  408    HG2  GLU  54           HG2      GLU  54 121.063  14.684  -9.286
  409    HG3  GLU  54           HG1      GLU  54 122.556  14.059  -9.982
  410    H    ASP  55           HN       ASP  55 123.505  15.082  -7.675
  411    HA   ASP  55           HA       ASP  55 123.599  16.621  -6.026
  412    HB2  ASP  55           HB2      ASP  55 121.733  14.615  -4.878
  413    HB3  ASP  55           HB1      ASP  55 122.416  15.799  -3.769
  414    H    GLY  56           HN       GLY  56 125.442  14.044  -6.110
  415    HA2  GLY  56           HA2      GLY  56 127.478  13.609  -5.128
  416    HA3  GLY  56           HA1      GLY  56 127.224  15.007  -4.102
  417    H    PHE  57           HN       PHE  57 125.951  11.694  -4.518
  418    HA   PHE  57           HA       PHE  57 126.180  11.354  -1.603
  419    HB2  PHE  57           HB2      PHE  57 123.867  10.371  -3.291
  420    HB3  PHE  57           HB1      PHE  57 124.090  10.062  -1.575
  421    HD1  PHE  57           HD1      PHE  57 124.710  12.530  -0.355
  422    HD2  PHE  57           HD2      PHE  57 122.144  11.805  -3.671
  423    HE1  PHE  57           HE1      PHE  57 123.466  14.590   0.161
  424    HE2  PHE  57           HE2      PHE  57 120.898  13.861  -3.165
  425    HZ   PHE  57           HZ       PHE  57 121.558  15.258  -1.246
  426    H    THR  58           HN       THR  58 127.817   9.942  -1.412
  427    HA   THR  58           HA       THR  58 128.372   7.935  -3.372
  428    HB   THR  58           HB       THR  58 129.471   8.078  -0.562
  429    HG1  THR  58           HG1      THR  58 130.425   9.403  -2.884
  430   HG21  THR  58          HG21      THR  58 130.835   6.452  -1.151
  431   HG22  THR  58          HG22      THR  58 131.394   7.387  -2.538
  432   HG23  THR  58          HG23      THR  58 129.997   6.321  -2.697
  433    H    TYR  59           HN       TYR  59 127.391   6.048  -3.579
  434    HA   TYR  59           HA       TYR  59 126.075   4.862  -1.230
  435    HB2  TYR  59           HB2      TYR  59 124.406   3.936  -2.626
  436    HB3  TYR  59           HB1      TYR  59 124.606   5.594  -3.172
  437    HD1  TYR  59           HD1      TYR  59 125.118   2.066  -4.013
  438    HD2  TYR  59           HD2      TYR  59 125.545   6.081  -5.357
  439    HE1  TYR  59           HE1      TYR  59 125.474   1.255  -6.304
  440    HE2  TYR  59           HE2      TYR  59 125.903   5.279  -7.654
  441    HH   TYR  59           HH       TYR  59 126.775   2.347  -8.462
  442    H    TYR  60           HN       TYR  60 126.312   2.648  -0.826
  443    HA   TYR  60           HA       TYR  60 128.477   1.345  -2.350
  444    HB2  TYR  60           HB2      TYR  60 127.871   1.011   0.596
  445    HB3  TYR  60           HB1      TYR  60 129.192   0.255  -0.286
  446    HD1  TYR  60           HD2      TYR  60 130.697   2.073  -1.619
  447    HD2  TYR  60           HD1      TYR  60 128.420   2.835   1.894
  448    HE1  TYR  60           HE2      TYR  60 132.145   3.992  -1.104
  449    HE2  TYR  60           HE1      TYR  60 129.861   4.757   2.418
  450    HH   TYR  60           HH       TYR  60 132.643   5.271   1.516
  451    H    TYR  61           HN       TYR  61 128.238  -0.803  -2.901
  452    HA   TYR  61           HA       TYR  61 125.701  -2.098  -2.151
  453    HB2  TYR  61           HB2      TYR  61 125.485  -1.196  -4.412
  454    HB3  TYR  61           HB1      TYR  61 126.957  -2.025  -4.903
  455    HD1  TYR  61           HD1      TYR  61 123.428  -2.491  -3.937
  456    HD2  TYR  61           HD2      TYR  61 126.932  -4.347  -5.481
  457    HE1  TYR  61           HE1      TYR  61 122.093  -4.444  -4.606
  458    HE2  TYR  61           HE2      TYR  61 125.607  -6.305  -6.153
  459    HH   TYR  61           HH       TYR  61 123.217  -6.809  -6.713
  460    H    ASN  62           HN       ASN  62 125.717  -4.344  -1.972
  461    HA   ASN  62           HA       ASN  62 128.399  -5.571  -1.891
  462    HB2  ASN  62           HB2      ASN  62 127.137  -5.318   0.295
  463    HB3  ASN  62           HB1      ASN  62 125.967  -6.469  -0.337
  464   HD21  ASN  62          HD21      ASN  62 127.330  -6.972   1.988
  465   HD22  ASN  62          HD22      ASN  62 128.438  -8.273   1.736
  466    H    THR  63           HN       THR  63 128.791  -7.254  -3.188
  467    HA   THR  63           HA       THR  63 126.736  -8.209  -4.964
  468    HB   THR  63           HB       THR  63 128.615  -9.674  -5.836
  469    HG1  THR  63           HG1      THR  63 130.462  -9.676  -4.832
  470   HG21  THR  63          HG21      THR  63 129.008  -6.701  -5.719
  471   HG22  THR  63          HG22      THR  63 128.229  -7.642  -6.991
  472   HG23  THR  63          HG23      THR  63 129.968  -7.779  -6.732
  473    H    GLU  64           HN       GLU  64 128.166  -9.271  -1.998
  474    HA   GLU  64           HA       GLU  64 127.740 -12.030  -2.152
  475    HB2  GLU  64           HB2      GLU  64 129.064 -10.818  -0.409
  476    HB3  GLU  64           HB1      GLU  64 127.551 -10.304   0.321
  477    HG2  GLU  64           HG2      GLU  64 127.045 -12.866   0.370
  478    HG3  GLU  64           HG1      GLU  64 128.797 -13.007   0.236
  479    H    THR  65           HN       THR  65 125.693  -9.694  -0.368
  480    HA   THR  65           HA       THR  65 123.467 -11.570  -0.491
  481    HB   THR  65           HB       THR  65 123.949 -10.460   1.643
  482    HG1  THR  65           HG1      THR  65 121.498  -9.580   0.516
  483   HG21  THR  65          HG21      THR  65 124.127  -8.262   1.998
  484   HG22  THR  65          HG22      THR  65 122.849  -7.864   0.849
  485   HG23  THR  65          HG23      THR  65 124.482  -8.195   0.273
  486    H    GLY  66           HN       GLY  66 124.395  -8.433  -1.803
  487    HA2  GLY  66           HA2      GLY  66 123.600  -7.531  -3.816
  488    HA3  GLY  66           HA1      GLY  66 122.263  -8.668  -3.773
  489    H    GLU  67           HN       GLU  67 123.435  -6.137  -1.540
  490    HA   GLU  67           HA       GLU  67 120.812  -4.833  -1.764
  491    HB2  GLU  67           HB2      GLU  67 120.837  -6.281   0.243
  492    HB3  GLU  67           HB1      GLU  67 122.235  -5.403   0.842
  493    HG2  GLU  67           HG2      GLU  67 120.674  -3.325   0.605
  494    HG3  GLU  67           HG1      GLU  67 119.392  -4.534   0.642
  495    H    SER  68           HN       SER  68 120.812  -2.620  -1.595
  496    HA   SER  68           HA       SER  68 123.389  -1.325  -1.881
  497    HB2  SER  68           HB2      SER  68 121.605   0.719  -2.001
  498    HB3  SER  68           HB1      SER  68 122.052  -0.273  -3.388
  499    HG   SER  68           HG       SER  68 119.758  -0.470  -1.746
  500    H    ARG  69           HN       ARG  69 124.220   0.259  -0.540
  501    HA   ARG  69           HA       ARG  69 122.848   0.724   2.020
  502    HB2  ARG  69           HB2      ARG  69 124.675  -1.062   2.120
  503    HB3  ARG  69           HB1      ARG  69 125.818   0.238   1.818
  504    HG2  ARG  69           HG2      ARG  69 125.540   1.153   3.891
  505    HG3  ARG  69           HG1      ARG  69 123.890   0.551   4.058
  506    HD2  ARG  69           HD2      ARG  69 126.128  -1.409   3.931
  507    HD3  ARG  69           HD1      ARG  69 125.880  -0.505   5.424
  508    HE   ARG  69           HE       ARG  69 123.408  -1.458   4.840
  509   HH11  ARG  69          HH11      ARG  69 126.549  -2.965   5.188
  510   HH12  ARG  69          HH12      ARG  69 125.901  -4.471   5.740
  511   HH21  ARG  69          HH21      ARG  69 122.560  -3.450   5.564
  512   HH22  ARG  69          HH22      ARG  69 123.640  -4.747   5.953
  513    H    TRP  70           HN       TRP  70 123.585   2.660   3.160
  514    HA   TRP  70           HA       TRP  70 124.882   4.630   1.389
  515    HB2  TRP  70           HB2      TRP  70 122.520   5.110   3.224
  516    HB3  TRP  70           HB1      TRP  70 123.361   6.357   2.308
  517    HD1  TRP  70           HD1      TRP  70 120.941   3.428   1.857
  518    HE1  TRP  70           HE1      TRP  70 119.835   3.619  -0.458
  519    HE3  TRP  70           HE3      TRP  70 123.707   7.284  -0.052
  520    HZ2  TRP  70           HZ2      TRP  70 120.098   5.195  -2.784
  521    HZ3  TRP  70           HZ3      TRP  70 123.214   8.072  -2.331
  522    HH2  TRP  70           HH2      TRP  70 121.446   7.047  -3.667
  523    H    GLU  71           HN       GLU  71 126.177   3.045   3.356
  524    HA   GLU  71           HA       GLU  71 127.338   5.144   4.980
  525    HB2  GLU  71           HB2      GLU  71 125.753   2.877   6.119
  526    HB3  GLU  71           HB1      GLU  71 127.188   3.412   6.981
  527    HG2  GLU  71           HG2      GLU  71 126.007   5.783   6.579
  528    HG3  GLU  71           HG1      GLU  71 124.584   4.744   6.614
  529    H    LYS  72           HN       LYS  72 129.501   4.841   5.201
  530    HA   LYS  72           HA       LYS  72 130.805   2.818   3.753
  531    HB2  LYS  72           HB2      LYS  72 132.882   3.618   4.927
  532    HB3  LYS  72           HB1      LYS  72 131.966   4.871   4.103
  533    HG2  LYS  72           HG2      LYS  72 132.150   6.024   5.997
  534    HG3  LYS  72           HG1      LYS  72 130.921   4.935   6.643
  535    HD2  LYS  72           HD2      LYS  72 132.404   3.818   7.935
  536    HD3  LYS  72           HD1      LYS  72 133.694   3.935   6.738
  537    HE2  LYS  72           HE2      LYS  72 132.995   6.524   7.843
  538    HE3  LYS  72           HE1      LYS  72 133.477   5.381   9.096
  539    HZ1  LYS  72           HZ1      LYS  72 135.527   4.972   7.914
  540    HZ2  LYS  72           HZ2      LYS  72 135.362   6.629   8.206
  541    HZ3  LYS  72           HZ3      LYS  72 135.061   6.010   6.662
  542    HA   PRO  73           HA       PRO  73 130.327  -0.380   6.884
  543    HB2  PRO  73           HB2      PRO  73 131.246  -2.425   5.368
  544    HB3  PRO  73           HB1      PRO  73 129.617  -1.762   5.191
  545    HG2  PRO  73           HG2      PRO  73 132.058  -1.262   3.540
  546    HG3  PRO  73           HG1      PRO  73 130.379  -1.484   3.019
  547    HD2  PRO  73           HD2      PRO  73 131.588   0.955   3.226
  548    HD3  PRO  73           HD1      PRO  73 129.840   0.709   3.410
  549    H    ASP  74           HN       ASP  74 131.943   0.380   8.304
  550    HA   ASP  74           HA       ASP  74 134.334  -1.200   8.337
  551    HB2  ASP  74           HB2      ASP  74 134.614   1.079   6.892
  552    HB3  ASP  74           HB1      ASP  74 135.018   1.676   8.498
  553    H    ASP  75           HN       ASP  75 133.534  -1.900  10.332
  554    HA   ASP  75           HA       ASP  75 133.397   0.133  12.456
  555    HB2  ASP  75           HB2      ASP  75 131.932  -2.400  11.967
  556    HB3  ASP  75           HB1      ASP  75 132.337  -2.050  13.643
  Start of MODEL    8
    1    H1   ASP   1           HT1      ASP   1  95.339  -3.832 -16.240
    2    H2   ASP   1           HT2      ASP   1  94.620  -2.529 -17.094
    3    H3   ASP   1           HT3      ASP   1  94.184  -2.834 -15.462
    4    HA   ASP   1           HA       ASP   1  96.754  -1.868 -16.509
    5    HB2  ASP   1           HB2      ASP   1  94.555  -0.443 -16.003
    6    HB3  ASP   1           HB1      ASP   1  95.163  -0.550 -14.354
    7    HA   PRO   2           HA       PRO   2  97.825  -4.485 -12.852
    8    HB2  PRO   2           HB2      PRO   2 100.231  -5.294 -13.803
    9    HB3  PRO   2           HB1      PRO   2  98.714  -6.092 -14.236
   10    HG2  PRO   2           HG2      PRO   2 100.299  -4.073 -15.777
   11    HG3  PRO   2           HG1      PRO   2  99.508  -5.551 -16.354
   12    HD2  PRO   2           HD2      PRO   2  98.416  -3.087 -16.660
   13    HD3  PRO   2           HD1      PRO   2  97.437  -4.554 -16.458
   14    H    SER   3           HN       SER   3  99.066  -3.908 -11.122
   15    HA   SER   3           HA       SER   3 101.142  -1.868 -11.486
   16    HB2  SER   3           HB2      SER   3  98.694  -1.107 -10.629
   17    HB3  SER   3           HB1      SER   3  99.428  -1.547  -9.088
   18    HG   SER   3           HG       SER   3 100.945  -0.004  -9.353
   19    H    LYS   4           HN       LYS   4 102.742  -1.815  -9.857
   20    HA   LYS   4           HA       LYS   4 102.690  -4.059  -7.958
   21    HB2  LYS   4           HB2      LYS   4 104.525  -3.644 -10.157
   22    HB3  LYS   4           HB1      LYS   4 105.386  -3.659  -8.623
   23    HG2  LYS   4           HG2      LYS   4 103.829  -5.797  -8.252
   24    HG3  LYS   4           HG1      LYS   4 103.943  -5.829 -10.012
   25    HD2  LYS   4           HD2      LYS   4 105.813  -7.024  -9.575
   26    HD3  LYS   4           HD1      LYS   4 106.526  -5.419  -9.403
   27    HE2  LYS   4           HE2      LYS   4 106.843  -5.670  -7.196
   28    HE3  LYS   4           HE1      LYS   4 105.265  -6.418  -6.960
   29    HZ1  LYS   4           HZ1      LYS   4 107.346  -7.991  -8.292
   30    HZ2  LYS   4           HZ2      LYS   4 106.100  -8.499  -7.267
   31    HZ3  LYS   4           HZ3      LYS   4 107.478  -7.761  -6.621
   32    H    GLY   5           HN       GLY   5 104.106  -3.792  -6.100
   33    HA2  GLY   5           HA2      GLY   5 105.327  -2.517  -4.558
   34    HA3  GLY   5           HA1      GLY   5 105.099  -1.107  -5.577
   35    H    ARG   6           HN       ARG   6 102.759  -3.364  -4.164
   36    HA   ARG   6           HA       ARG   6 101.045  -1.215  -3.344
   37    HB2  ARG   6           HB2      ARG   6 100.943  -4.208  -3.013
   38    HB3  ARG   6           HB1      ARG   6  99.778  -3.163  -2.212
   39    HG2  ARG   6           HG2      ARG   6 100.235  -3.015  -5.170
   40    HG3  ARG   6           HG1      ARG   6  99.133  -4.194  -4.457
   41    HD2  ARG   6           HD2      ARG   6  97.596  -2.628  -3.905
   42    HD3  ARG   6           HD1      ARG   6  98.813  -1.404  -3.549
   43    HE   ARG   6           HE       ARG   6  98.560  -0.616  -5.671
   44   HH11  ARG   6          HH11      ARG   6  97.352  -3.904  -5.586
   45   HH12  ARG   6          HH12      ARG   6  96.746  -3.855  -7.206
   46   HH21  ARG   6          HH21      ARG   6  97.759  -0.558  -7.808
   47   HH22  ARG   6          HH22      ARG   6  96.975  -1.955  -8.468
   48    H    TRP   7           HN       TRP   7 102.496  -0.053  -1.979
   49    HA   TRP   7           HA       TRP   7 102.823  -1.262   0.689
   50    HB2  TRP   7           HB2      TRP   7 104.613   0.686  -0.772
   51    HB3  TRP   7           HB1      TRP   7 104.773   0.322   0.944
   52    HD1  TRP   7           HD1      TRP   7 105.422  -1.164  -2.508
   53    HE1  TRP   7           HE1      TRP   7 106.869  -3.277  -2.245
   54    HE3  TRP   7           HE3      TRP   7 105.318  -1.589   2.583
   55    HZ2  TRP   7           HZ2      TRP   7 107.841  -4.908  -0.151
   56    HZ3  TRP   7           HZ3      TRP   7 106.531  -3.450   3.639
   57    HH2  TRP   7           HH2      TRP   7 107.766  -5.075   2.298
   58    H    VAL   8           HN       VAL   8 102.121  -0.139   2.435
   59    HA   VAL   8           HA       VAL   8 100.855   2.469   1.909
   60    HB   VAL   8           HB       VAL   8  99.244   0.710   2.516
   61   HG11  VAL   8          HG11      VAL   8 100.095   0.580   5.327
   62   HG12  VAL   8          HG12      VAL   8 101.141  -0.262   4.185
   63   HG13  VAL   8          HG13      VAL   8  99.429  -0.673   4.281
   64   HG21  VAL   8          HG21      VAL   8  99.588   2.797   4.666
   65   HG22  VAL   8          HG22      VAL   8  98.099   1.930   4.288
   66   HG23  VAL   8          HG23      VAL   8  98.796   3.042   3.109
   67    H    GLU   9           HN       GLU   9 101.513   4.203   3.034
   68    HA   GLU   9           HA       GLU   9 103.673   3.846   4.955
   69    HB2  GLU   9           HB2      GLU   9 103.918   5.514   3.157
   70    HB3  GLU   9           HB1      GLU   9 102.510   6.372   3.764
   71    HG2  GLU   9           HG2      GLU   9 103.647   6.953   5.781
   72    HG3  GLU   9           HG1      GLU   9 105.016   5.925   5.366
   73    H    GLY  10           HN       GLY  10 103.474   4.061   7.083
   74    HA2  GLY  10           HA2      GLY  10 101.076   5.391   8.162
   75    HA3  GLY  10           HA1      GLY  10 101.524   3.789   8.723
   76    H    ILE  11           HN       ILE  11 101.280   6.339  10.193
   77    HA   ILE  11           HA       ILE  11 104.050   6.846  11.012
   78    HB   ILE  11           HB       ILE  11 101.570   8.268  11.977
   79   HG12  ILE  11          HG12      ILE  11 101.763   8.500   9.535
   80   HG13  ILE  11          HG11      ILE  11 102.082  10.027  10.350
   81   HG21  ILE  11          HG21      ILE  11 103.111   8.952  13.477
   82   HG22  ILE  11          HG22      ILE  11 103.555  10.062  12.181
   83   HG23  ILE  11          HG23      ILE  11 104.472   8.575  12.418
   84   HD11  ILE  11          HD11      ILE  11 104.167  10.138   9.565
   85   HD12  ILE  11          HD12      ILE  11 103.620   8.939   8.394
   86   HD13  ILE  11          HD13      ILE  11 104.474   8.424   9.848
   87    H    THR  12           HN       THR  12 104.880   6.050  12.862
   88    HA   THR  12           HA       THR  12 103.026   5.069  14.921
   89    HB   THR  12           HB       THR  12 104.786   3.218  15.312
   90    HG1  THR  12           HG1      THR  12 105.368   3.864  12.611
   91   HG21  THR  12          HG21      THR  12 103.849   1.852  13.326
   92   HG22  THR  12          HG22      THR  12 102.802   3.252  13.094
   93   HG23  THR  12          HG23      THR  12 102.773   2.375  14.622
   94    H    SER  13           HN       SER  13 103.879   5.000  17.068
   95    HA   SER  13           HA       SER  13 104.971   5.880  18.848
   96    HB2  SER  13           HB2      SER  13 106.915   4.766  17.247
   97    HB3  SER  13           HB1      SER  13 107.527   6.401  17.496
   98    HG   SER  13           HG       SER  13 107.210   6.025  19.777
   99    H    GLU  14           HN       GLU  14 107.220   7.846  18.649
  100    HA   GLU  14           HA       GLU  14 105.566  10.189  18.466
  101    HB2  GLU  14           HB2      GLU  14 108.271   9.550  19.470
  102    HB3  GLU  14           HB1      GLU  14 108.006  11.203  18.934
  103    HG2  GLU  14           HG2      GLU  14 107.418  11.411  21.114
  104    HG3  GLU  14           HG1      GLU  14 105.852  10.990  20.427
  105    H    GLY  15           HN       GLY  15 106.987   8.516  16.030
  106    HA2  GLY  15           HA2      GLY  15 106.622  10.147  13.979
  107    HA3  GLY  15           HA1      GLY  15 108.086  10.845  14.651
  108    H    TYR  16           HN       TYR  16 106.768   7.703  13.611
  109    HA   TYR  16           HA       TYR  16 109.292   7.202  12.209
  110    HB2  TYR  16           HB2      TYR  16 107.962   5.311  14.155
  111    HB3  TYR  16           HB1      TYR  16 109.193   4.808  13.001
  112    HD1  TYR  16           HD2      TYR  16 108.551   6.892  15.976
  113    HD2  TYR  16           HD1      TYR  16 111.502   5.276  13.375
  114    HE1  TYR  16           HE2      TYR  16 110.305   7.555  17.567
  115    HE2  TYR  16           HE1      TYR  16 113.266   5.933  14.957
  116    HH   TYR  16           HH       TYR  16 112.873   6.558  18.000
  117    H    HIS  17           HN       HIS  17 108.688   7.081  10.144
  118    HA   HIS  17           HA       HIS  17 106.063   6.202   9.370
  119    HB2  HIS  17           HB2      HIS  17 108.486   6.913   7.702
  120    HB3  HIS  17           HB1      HIS  17 106.892   6.564   7.048
  121    HD1  HIS  17           HD1      HIS  17 106.216   8.791   6.154
  122    HD2  HIS  17           HD2      HIS  17 107.632   9.029  10.053
  123    HE1  HIS  17           HE1      HIS  17 105.802  11.163   6.874
  124    HE2  HIS  17           HE2      HIS  17 106.759  11.309   9.201
  125    H    TYR  18           HN       TYR  18 105.491   4.159   9.193
  126    HA   TYR  18           HA       TYR  18 107.521   2.154   8.477
  127    HB2  TYR  18           HB2      TYR  18 106.374   0.539   9.753
  128    HB3  TYR  18           HB1      TYR  18 106.367   1.988  10.750
  129    HD1  TYR  18           HD2      TYR  18 104.270   3.324  10.960
  130    HD2  TYR  18           HD1      TYR  18 104.347  -0.449   8.995
  131    HE1  TYR  18           HE2      TYR  18 101.827   3.174  11.167
  132    HE2  TYR  18           HE1      TYR  18 101.901  -0.610   9.196
  133    HH   TYR  18           HH       TYR  18 100.094   1.272  11.233
  134    H    TYR  19           HN       TYR  19 106.933   0.464   7.017
  135    HA   TYR  19           HA       TYR  19 104.608   1.113   5.322
  136    HB2  TYR  19           HB2      TYR  19 107.264   0.026   4.364
  137    HB3  TYR  19           HB1      TYR  19 105.884   0.453   3.359
  138    HD1  TYR  19           HD1      TYR  19 105.067   2.975   3.677
  139    HD2  TYR  19           HD2      TYR  19 108.991   1.559   4.529
  140    HE1  TYR  19           HE1      TYR  19 105.939   5.260   3.438
  141    HE2  TYR  19           HE2      TYR  19 109.870   3.845   4.292
  142    HH   TYR  19           HH       TYR  19 107.757   6.554   3.392
  143    H    TYR  20           HN       TYR  20 103.508  -0.628   4.357
  144    HA   TYR  20           HA       TYR  20 104.266  -3.320   5.253
  145    HB2  TYR  20           HB2      TYR  20 102.625  -2.662   6.867
  146    HB3  TYR  20           HB1      TYR  20 101.568  -2.014   5.618
  147    HD1  TYR  20           HD2      TYR  20 100.234  -3.507   4.218
  148    HD2  TYR  20           HD1      TYR  20 102.714  -5.041   7.317
  149    HE1  TYR  20           HE2      TYR  20  99.061  -5.661   4.076
  150    HE2  TYR  20           HE1      TYR  20 101.548  -7.203   7.186
  151    HH   TYR  20           HH       TYR  20  98.815  -7.764   6.126
  152    H    ASP  21           HN       ASP  21 103.647  -5.007   3.902
  153    HA   ASP  21           HA       ASP  21 102.622  -4.190   1.260
  154    HB2  ASP  21           HB2      ASP  21 104.997  -5.016   1.358
  155    HB3  ASP  21           HB1      ASP  21 104.372  -6.580   1.866
  156    H    LEU  22           HN       LEU  22 100.711  -4.985   0.673
  157    HA   LEU  22           HA       LEU  22  99.397  -6.963   2.314
  158    HB2  LEU  22           HB2      LEU  22  97.515  -6.624   0.619
  159    HB3  LEU  22           HB1      LEU  22  97.939  -5.278   1.656
  160    HG   LEU  22           HG       LEU  22  99.312  -5.323  -0.957
  161   HD11  LEU  22          HD11      LEU  22  97.524  -4.899  -2.325
  162   HD12  LEU  22          HD12      LEU  22  96.483  -4.391  -0.996
  163   HD13  LEU  22          HD13      LEU  22  96.822  -6.103  -1.244
  164   HD21  LEU  22          HD21      LEU  22  98.371  -3.426   1.056
  165   HD22  LEU  22          HD22      LEU  22  98.093  -2.896  -0.604
  166   HD23  LEU  22          HD23      LEU  22  99.722  -3.310  -0.072
  167    H    ILE  23           HN       ILE  23 100.996  -6.897  -0.791
  168    HA   ILE  23           HA       ILE  23  99.891  -9.205  -1.937
  169    HB   ILE  23           HB       ILE  23 102.732  -8.230  -2.276
  170   HG12  ILE  23          HG12      ILE  23 100.721  -7.553  -4.322
  171   HG13  ILE  23          HG11      ILE  23 100.485  -6.750  -2.773
  172   HG21  ILE  23          HG21      ILE  23 102.060  -9.245  -4.663
  173   HG22  ILE  23          HG22      ILE  23 101.076 -10.273  -3.621
  174   HG23  ILE  23          HG23      ILE  23 102.822 -10.195  -3.388
  175   HD11  ILE  23          HD11      ILE  23 101.948  -5.666  -4.645
  176   HD12  ILE  23          HD12      ILE  23 103.194  -6.733  -3.997
  177   HD13  ILE  23          HD13      ILE  23 102.418  -5.545  -2.950
  178    H    SER  24           HN       SER  24 102.879  -8.843  -0.020
  179    HA   SER  24           HA       SER  24 103.063 -11.741   0.256
  180    HB2  SER  24           HB2      SER  24 104.934  -9.468   0.890
  181    HB3  SER  24           HB1      SER  24 105.225 -11.091   1.512
  182    HG   SER  24           HG       SER  24 105.033 -10.299  -1.206
  183    H    GLY  25           HN       GLY  25 102.334  -8.884   2.170
  184    HA2  GLY  25           HA2      GLY  25 101.133  -8.816   4.168
  185    HA3  GLY  25           HA1      GLY  25 101.263 -10.566   4.277
  186    H    ALA  26           HN       ALA  26 103.744  -8.013   4.037
  187    HA   ALA  26           HA       ALA  26 104.766  -8.872   6.661
  188    HB1  ALA  26           HB1      ALA  26 106.841  -9.339   5.913
  189    HB2  ALA  26           HB2      ALA  26 106.799  -8.083   4.677
  190    HB3  ALA  26           HB3      ALA  26 106.000  -9.628   4.390
  191    H    SER  27           HN       SER  27 105.812  -7.307   7.898
  192    HA   SER  27           HA       SER  27 105.169  -4.557   7.150
  193    HB2  SER  27           HB2      SER  27 106.189  -4.397   9.692
  194    HB3  SER  27           HB1      SER  27 104.481  -4.594   9.307
  195    HG   SER  27           HG       SER  27 105.304  -6.147  10.828
  196    H    GLN  28           HN       GLN  28 106.647  -3.082   6.626
  197    HA   GLN  28           HA       GLN  28 109.496  -3.752   6.983
  198    HB2  GLN  28           HB2      GLN  28 108.231  -3.580   4.583
  199    HB3  GLN  28           HB1      GLN  28 108.773  -1.920   4.780
  200    HG2  GLN  28           HG2      GLN  28 110.553  -2.818   3.679
  201    HG3  GLN  28           HG1      GLN  28 111.060  -3.054   5.350
  202   HE21  GLN  28          HE21      GLN  28 112.420  -4.757   4.742
  203   HE22  GLN  28          HE22      GLN  28 111.798  -6.315   4.331
  204    H    TRP  29           HN       TRP  29 110.913  -1.744   6.830
  205    HA   TRP  29           HA       TRP  29 109.594   0.557   8.108
  206    HB2  TRP  29           HB2      TRP  29 112.186  -0.776   8.887
  207    HB3  TRP  29           HB1      TRP  29 111.745   0.841   9.426
  208    HD1  TRP  29           HD1      TRP  29 110.850  -2.837   9.937
  209    HE1  TRP  29           HE1      TRP  29 109.379  -3.052  12.037
  210    HE3  TRP  29           HE3      TRP  29 110.064   2.124  10.892
  211    HZ2  TRP  29           HZ2      TRP  29 108.059  -1.346  13.859
  212    HZ3  TRP  29           HZ3      TRP  29 108.686   2.747  12.833
  213    HH2  TRP  29           HH2      TRP  29 107.705   1.047  14.285
  214    H    GLU  30           HN       GLU  30 112.218  -0.598   6.037
  215    HA   GLU  30           HA       GLU  30 113.128   2.078   5.425
  216    HB2  GLU  30           HB2      GLU  30 113.848  -0.479   3.985
  217    HB3  GLU  30           HB1      GLU  30 114.749   1.031   4.001
  218    HG2  GLU  30           HG2      GLU  30 115.975   0.134   5.617
  219    HG3  GLU  30           HG1      GLU  30 114.580   0.361   6.669
  220    H    LYS  31           HN       LYS  31 112.850   3.174   3.480
  221    HA   LYS  31           HA       LYS  31 110.373   2.748   2.150
  222    HB2  LYS  31           HB2      LYS  31 111.732   4.943   2.554
  223    HB3  LYS  31           HB1      LYS  31 112.524   4.518   1.044
  224    HG2  LYS  31           HG2      LYS  31 110.421   4.575  -0.128
  225    HG3  LYS  31           HG1      LYS  31 109.551   4.854   1.382
  226    HD2  LYS  31           HD2      LYS  31 111.698   6.726   0.420
  227    HD3  LYS  31           HD1      LYS  31 110.022   6.882  -0.111
  228    HE2  LYS  31           HE2      LYS  31 109.324   7.666   1.886
  229    HE3  LYS  31           HE1      LYS  31 110.394   6.599   2.795
  230    HZ1  LYS  31           HZ1      LYS  31 110.802   9.141   2.804
  231    HZ2  LYS  31           HZ2      LYS  31 111.527   8.870   1.301
  232    HZ3  LYS  31           HZ3      LYS  31 112.123   8.091   2.678
  233    HA   PRO  32           HA       PRO  32 111.580  -0.194  -0.955
  234    HB2  PRO  32           HB2      PRO  32 109.469   1.080  -2.598
  235    HB3  PRO  32           HB1      PRO  32 109.641  -0.606  -2.099
  236    HG2  PRO  32           HG2      PRO  32 107.796   0.973  -0.999
  237    HG3  PRO  32           HG1      PRO  32 108.670  -0.228  -0.029
  238    HD2  PRO  32           HD2      PRO  32 109.074   2.734  -0.195
  239    HD3  PRO  32           HD1      PRO  32 109.137   1.666   1.222
  240    H    GLU  33           HN       GLU  33 111.874  -0.182  -3.459
  241    HA   GLU  33           HA       GLU  33 113.935   1.631  -4.072
  242    HB2  GLU  33           HB2      GLU  33 112.386   0.092  -6.147
  243    HB3  GLU  33           HB1      GLU  33 114.067   0.599  -6.203
  244    HG2  GLU  33           HG2      GLU  33 114.572  -1.456  -5.545
  245    HG3  GLU  33           HG1      GLU  33 113.962  -0.991  -3.956
  246    H    GLY  34           HN       GLY  34 110.500   1.644  -4.879
  247    HA2  GLY  34           HA2      GLY  34 110.780   4.436  -5.722
  248    HA3  GLY  34           HA1      GLY  34 110.070   3.309  -6.865
  249    H    PHE  35           HN       PHE  35 109.669   4.786  -3.682
  250    HA   PHE  35           HA       PHE  35 106.845   3.990  -3.666
  251    HB2  PHE  35           HB2      PHE  35 108.134   3.527  -1.624
  252    HB3  PHE  35           HB1      PHE  35 108.531   5.234  -1.479
  253    HD1  PHE  35           HD2      PHE  35 105.743   2.804  -1.389
  254    HD2  PHE  35           HD1      PHE  35 107.059   6.735  -0.427
  255    HE1  PHE  35           HE2      PHE  35 103.710   3.152  -0.045
  256    HE2  PHE  35           HE1      PHE  35 105.031   7.088   0.920
  257    HZ   PHE  35           HZ       PHE  35 103.354   5.296   1.111
  258    H    GLN  36           HN       GLN  36 108.744   6.926  -2.894
  259    HA   GLN  36           HA       GLN  36 106.528   8.522  -3.999
  260    HB2  GLN  36           HB2      GLN  36 108.177   8.870  -1.557
  261    HB3  GLN  36           HB1      GLN  36 107.756  10.327  -2.445
  262    HG2  GLN  36           HG2      GLN  36 105.350   9.447  -2.350
  263    HG3  GLN  36           HG1      GLN  36 105.948   8.363  -1.096
  264   HE21  GLN  36          HE21      GLN  36 105.276  11.662  -1.961
  265   HE22  GLN  36          HE22      GLN  36 105.383  12.314  -0.365
  266    H    GLY  37           HN       GLY  37 110.045   8.330  -3.630
  267    HA2  GLY  37           HA2      GLY  37 110.424  10.454  -5.590
  268    HA3  GLY  37           HA1      GLY  37 111.687   9.656  -4.667
  269    H    ASP  38           HN       ASP  38 111.374  10.229  -7.593
  270    HA   ASP  38           HA       ASP  38 111.743   7.467  -8.558
  271    HB2  ASP  38           HB2      ASP  38 110.205   9.736  -9.727
  272    HB3  ASP  38           HB1      ASP  38 111.054   8.665 -10.836
  273    H    LEU  39           HN       LEU  39 113.873   7.200  -8.812
  274    HA   LEU  39           HA       LEU  39 115.431   9.387 -10.021
  275    HB2  LEU  39           HB2      LEU  39 115.927   8.186  -7.673
  276    HB3  LEU  39           HB1      LEU  39 116.805   7.096  -8.729
  277    HG   LEU  39           HG       LEU  39 117.326   9.999  -9.076
  278   HD11  LEU  39          HD11      LEU  39 118.857  10.098  -7.216
  279   HD12  LEU  39          HD12      LEU  39 118.455   8.445  -6.752
  280   HD13  LEU  39          HD13      LEU  39 117.241   9.717  -6.624
  281   HD21  LEU  39          HD21      LEU  39 119.591   9.190  -9.458
  282   HD22  LEU  39          HD22      LEU  39 118.436   8.308 -10.458
  283   HD23  LEU  39          HD23      LEU  39 119.100   7.558  -9.006
  284    H    LYS  40           HN       LYS  40 114.731   8.768 -12.146
  285    HA   LYS  40           HA       LYS  40 115.671   6.179 -13.135
  286    HB2  LYS  40           HB2      LYS  40 114.110   8.287 -14.635
  287    HB3  LYS  40           HB1      LYS  40 114.356   6.612 -15.107
  288    HG2  LYS  40           HG2      LYS  40 113.177   6.227 -12.732
  289    HG3  LYS  40           HG1      LYS  40 112.466   7.782 -13.164
  290    HD2  LYS  40           HD2      LYS  40 112.493   5.426 -15.038
  291    HD3  LYS  40           HD1      LYS  40 111.189   5.712 -13.885
  292    HE2  LYS  40           HE2      LYS  40 110.282   6.850 -15.611
  293    HE3  LYS  40           HE1      LYS  40 111.330   8.141 -15.028
  294    HZ1  LYS  40           HZ1      LYS  40 112.475   6.265 -16.954
  295    HZ2  LYS  40           HZ2      LYS  40 112.722   7.930 -16.787
  296    HZ3  LYS  40           HZ3      LYS  40 111.321   7.355 -17.539
  297    H    LYS  41           HN       LYS  41 117.651   6.040 -13.980
  298    HA   LYS  41           HA       LYS  41 118.650   8.198 -15.679
  299    HB2  LYS  41           HB2      LYS  41 119.505   7.953 -13.042
  300    HB3  LYS  41           HB1      LYS  41 120.774   7.172 -13.974
  301    HG2  LYS  41           HG2      LYS  41 121.294   9.504 -13.633
  302    HG3  LYS  41           HG1      LYS  41 121.002   9.190 -15.344
  303    HD2  LYS  41           HD2      LYS  41 119.175  10.509 -15.404
  304    HD3  LYS  41           HD1      LYS  41 118.624   9.989 -13.810
  305    HE2  LYS  41           HE2      LYS  41 120.399  11.425 -12.808
  306    HE3  LYS  41           HE1      LYS  41 120.760  12.026 -14.426
  307    HZ1  LYS  41           HZ1      LYS  41 118.896  13.275 -14.478
  308    HZ2  LYS  41           HZ2      LYS  41 119.056  13.221 -12.796
  309    HZ3  LYS  41           HZ3      LYS  41 117.976  12.178 -13.575
  310    H    THR  42           HN       THR  42 120.570   7.561 -16.942
  311    HA   THR  42           HA       THR  42 120.288   4.850 -17.897
  312    HB   THR  42           HB       THR  42 122.292   5.745 -19.403
  313    HG1  THR  42           HG1      THR  42 122.349   7.918 -19.556
  314   HG21  THR  42          HG21      THR  42 120.575   6.934 -20.857
  315   HG22  THR  42          HG22      THR  42 119.398   6.468 -19.630
  316   HG23  THR  42          HG23      THR  42 120.304   5.228 -20.498
  317    H    ALA  43           HN       ALA  43 122.682   6.742 -16.141
  318    HA   ALA  43           HA       ALA  43 124.455   4.409 -15.987
  319    HB1  ALA  43           HB1      ALA  43 125.031   7.204 -15.032
  320    HB2  ALA  43           HB2      ALA  43 125.364   6.646 -16.672
  321    HB3  ALA  43           HB3      ALA  43 126.182   5.895 -15.301
  322    H    VAL  44           HN       VAL  44 125.354   3.768 -13.949
  323    HA   VAL  44           HA       VAL  44 123.650   4.433 -11.635
  324    HB   VAL  44           HB       VAL  44 124.960   1.748 -12.098
  325   HG11  VAL  44          HG11      VAL  44 122.848   2.647 -10.139
  326   HG12  VAL  44          HG12      VAL  44 124.536   2.301  -9.763
  327   HG13  VAL  44          HG13      VAL  44 123.470   1.005 -10.304
  328   HG21  VAL  44          HG21      VAL  44 122.351   2.807 -13.020
  329   HG22  VAL  44          HG22      VAL  44 122.356   1.179 -12.343
  330   HG23  VAL  44          HG23      VAL  44 123.385   1.563 -13.723
  331    H    LYS  45           HN       LYS  45 124.989   5.903 -10.662
  332    HA   LYS  45           HA       LYS  45 127.807   5.576 -10.456
  333    HB2  LYS  45           HB2      LYS  45 127.679   7.493  -8.867
  334    HB3  LYS  45           HB1      LYS  45 126.895   7.794 -10.410
  335    HG2  LYS  45           HG2      LYS  45 124.836   6.828  -8.871
  336    HG3  LYS  45           HG1      LYS  45 125.786   7.769  -7.719
  337    HD2  LYS  45           HD2      LYS  45 125.493   9.746  -8.898
  338    HD3  LYS  45           HD1      LYS  45 125.110   8.908 -10.402
  339    HE2  LYS  45           HE2      LYS  45 123.087   8.043  -8.840
  340    HE3  LYS  45           HE1      LYS  45 123.369   9.634  -8.134
  341    HZ1  LYS  45           HZ1      LYS  45 123.023   9.231 -11.048
  342    HZ2  LYS  45           HZ2      LYS  45 122.938  10.679 -10.177
  343    HZ3  LYS  45           HZ3      LYS  45 121.717   9.522 -10.012
  344    H    THR  46           HN       THR  46 128.218   3.559  -9.545
  345    HA   THR  46           HA       THR  46 127.874   3.466  -6.640
  346    HB   THR  46           HB       THR  46 127.485   0.864  -7.135
  347    HG1  THR  46           HG1      THR  46 126.826   0.485  -9.076
  348   HG21  THR  46          HG21      THR  46 125.128   1.150  -6.822
  349   HG22  THR  46          HG22      THR  46 125.233   2.844  -7.302
  350   HG23  THR  46          HG23      THR  46 125.995   2.302  -5.807
  351    H    VAL  47           HN       VAL  47 130.097   3.946  -6.485
  352    HA   VAL  47           HA       VAL  47 132.033   2.164  -7.694
  353    HB   VAL  47           HB       VAL  47 132.558   4.549  -7.498
  354   HG11  VAL  47          HG11      VAL  47 131.732   5.528  -5.648
  355   HG12  VAL  47          HG12      VAL  47 133.300   5.102  -4.964
  356   HG13  VAL  47          HG13      VAL  47 131.900   4.073  -4.668
  357   HG21  VAL  47          HG21      VAL  47 134.510   3.327  -5.626
  358   HG22  VAL  47          HG22      VAL  47 134.778   4.232  -7.116
  359   HG23  VAL  47          HG23      VAL  47 134.275   2.544  -7.189
  360    H    TRP  48           HN       TRP  48 130.373   2.476  -4.660
  361    HA   TRP  48           HA       TRP  48 132.228   0.895  -3.135
  362    HB2  TRP  48           HB2      TRP  48 129.385   1.749  -2.555
  363    HB3  TRP  48           HB1      TRP  48 130.421   0.904  -1.413
  364    HD1  TRP  48           HD1      TRP  48 130.225   4.288  -3.274
  365    HE1  TRP  48           HE1      TRP  48 131.473   6.046  -1.868
  366    HE3  TRP  48           HE3      TRP  48 132.078   1.235   0.387
  367    HZ2  TRP  48           HZ2      TRP  48 133.036   6.127   0.484
  368    HZ3  TRP  48           HZ3      TRP  48 133.439   2.232   2.178
  369    HH2  TRP  48           HH2      TRP  48 133.907   4.628   2.224
  370    H    VAL  49           HN       VAL  49 132.069  -1.237  -2.546
  371    HA   VAL  49           HA       VAL  49 130.220  -2.874  -4.147
  372    HB   VAL  49           HB       VAL  49 132.537  -4.041  -2.650
  373   HG11  VAL  49          HG11      VAL  49 130.922  -4.760  -5.070
  374   HG12  VAL  49          HG12      VAL  49 131.227  -5.703  -3.611
  375   HG13  VAL  49          HG13      VAL  49 132.512  -5.472  -4.795
  376   HG21  VAL  49          HG21      VAL  49 132.706  -2.548  -5.260
  377   HG22  VAL  49          HG22      VAL  49 133.918  -3.711  -4.723
  378   HG23  VAL  49          HG23      VAL  49 133.618  -2.252  -3.779
  379    H    GLU  50           HN       GLU  50 129.207  -4.741  -3.142
  380    HA   GLU  50           HA       GLU  50 128.755  -4.334  -0.256
  381    HB2  GLU  50           HB2      GLU  50 126.776  -3.912  -1.641
  382    HB3  GLU  50           HB1      GLU  50 126.906  -5.521  -2.335
  383    HG2  GLU  50           HG2      GLU  50 126.822  -5.673   0.533
  384    HG3  GLU  50           HG1      GLU  50 125.457  -4.742  -0.078
  385    H    GLY  51           HN       GLY  51 129.501  -5.868   1.054
  386    HA2  GLY  51           HA2      GLY  51 129.861  -8.596  -0.029
  387    HA3  GLY  51           HA1      GLY  51 130.974  -7.864   1.113
  388    H    LEU  52           HN       LEU  52 129.684 -10.370   1.490
  389    HA   LEU  52           HA       LEU  52 127.826  -9.761   3.696
  390    HB2  LEU  52           HB2      LEU  52 127.399 -11.430   1.570
  391    HB3  LEU  52           HB1      LEU  52 127.985 -12.549   2.787
  392    HG   LEU  52           HG       LEU  52 126.117 -11.084   4.182
  393   HD11  LEU  52          HD11      LEU  52 124.961  -9.978   2.582
  394   HD12  LEU  52          HD12      LEU  52 124.136 -11.531   2.449
  395   HD13  LEU  52          HD13      LEU  52 125.415 -11.111   1.310
  396   HD21  LEU  52          HD21      LEU  52 125.110 -13.486   2.807
  397   HD22  LEU  52          HD22      LEU  52 125.193 -13.109   4.528
  398   HD23  LEU  52          HD23      LEU  52 126.628 -13.685   3.681
  399    H    SER  53           HN       SER  53 128.445 -10.198   5.710
  400    HA   SER  53           HA       SER  53 130.511 -12.211   6.203
  401    HB2  SER  53           HB2      SER  53 131.154  -9.524   6.155
  402    HB3  SER  53           HB1      SER  53 130.857  -9.824   7.867
  403    HG   SER  53           HG       SER  53 132.492 -11.247   7.923
  404    H    GLU  54           HN       GLU  54 130.505 -13.052   8.348
  405    HA   GLU  54           HA       GLU  54 129.562 -13.783  10.279
  406    HB2  GLU  54           HB2      GLU  54 129.245 -10.968  10.295
  407    HB3  GLU  54           HB1      GLU  54 127.737 -11.647  10.887
  408    HG2  GLU  54           HG2      GLU  54 130.164 -12.837  12.029
  409    HG3  GLU  54           HG1      GLU  54 129.906 -11.138  12.419
  410    H    ASP  55           HN       ASP  55 126.911 -13.295  11.298
  411    HA   ASP  55           HA       ASP  55 125.455 -15.263   9.976
  412    HB2  ASP  55           HB2      ASP  55 125.154 -13.847  12.319
  413    HB3  ASP  55           HB1      ASP  55 123.789 -13.291  11.357
  414    H    GLY  56           HN       GLY  56 125.682 -11.852   9.314
  415    HA2  GLY  56           HA2      GLY  56 124.699 -11.904   6.764
  416    HA3  GLY  56           HA1      GLY  56 123.273 -11.674   7.767
  417    H    PHE  57           HN       PHE  57 126.592 -10.416   8.017
  418    HA   PHE  57           HA       PHE  57 125.486  -7.725   8.343
  419    HB2  PHE  57           HB2      PHE  57 128.157  -8.956   9.005
  420    HB3  PHE  57           HB1      PHE  57 127.921  -7.212   8.997
  421    HD1  PHE  57           HD2      PHE  57 126.062 -10.176  10.312
  422    HD2  PHE  57           HD1      PHE  57 127.645  -6.303  11.073
  423    HE1  PHE  57           HE2      PHE  57 125.206 -10.285  12.618
  424    HE2  PHE  57           HE1      PHE  57 126.795  -6.403  13.380
  425    HZ   PHE  57           HZ       PHE  57 125.572  -8.394  14.154
  426    H    THR  58           HN       THR  58 125.554  -6.315   6.713
  427    HA   THR  58           HA       THR  58 127.071  -6.999   4.325
  428    HB   THR  58           HB       THR  58 125.410  -4.528   4.473
  429    HG1  THR  58           HG1      THR  58 123.680  -5.568   4.980
  430   HG21  THR  58          HG21      THR  58 126.050  -6.592   2.425
  431   HG22  THR  58          HG22      THR  58 126.169  -4.835   2.332
  432   HG23  THR  58          HG23      THR  58 124.589  -5.617   2.272
  433    H    TYR  59           HN       TYR  59 129.012  -6.207   3.939
  434    HA   TYR  59           HA       TYR  59 129.794  -3.669   5.208
  435    HB2  TYR  59           HB2      TYR  59 132.045  -4.422   5.319
  436    HB3  TYR  59           HB1      TYR  59 131.054  -5.744   5.918
  437    HD1  TYR  59           HD2      TYR  59 133.105  -4.574   3.086
  438    HD2  TYR  59           HD1      TYR  59 130.988  -7.852   4.785
  439    HE1  TYR  59           HE2      TYR  59 134.181  -6.093   1.483
  440    HE2  TYR  59           HE1      TYR  59 132.062  -9.380   3.186
  441    HH   TYR  59           HH       TYR  59 133.358  -8.603   0.486
  442    H    TYR  60           HN       TYR  60 130.876  -2.111   3.980
  443    HA   TYR  60           HA       TYR  60 130.815  -2.579   1.071
  444    HB2  TYR  60           HB2      TYR  60 130.391   0.098   2.401
  445    HB3  TYR  60           HB1      TYR  60 130.138  -0.313   0.709
  446    HD1  TYR  60           HD2      TYR  60 128.505  -2.644   0.678
  447    HD2  TYR  60           HD1      TYR  60 128.391   0.607   3.424
  448    HE1  TYR  60           HE2      TYR  60 126.144  -3.133   1.151
  449    HE2  TYR  60           HE1      TYR  60 126.028   0.124   3.904
  450    HH   TYR  60           HH       TYR  60 124.520  -2.732   3.053
  451    H    TYR  61           HN       TYR  61 132.524  -1.878  -0.152
  452    HA   TYR  61           HA       TYR  61 134.803  -0.697   1.299
  453    HB2  TYR  61           HB2      TYR  61 135.159  -3.102   0.843
  454    HB3  TYR  61           HB1      TYR  61 134.911  -2.804  -0.873
  455    HD1  TYR  61           HD1      TYR  61 136.603  -1.535  -2.164
  456    HD2  TYR  61           HD2      TYR  61 137.252  -2.616   1.901
  457    HE1  TYR  61           HE1      TYR  61 139.009  -1.116  -2.443
  458    HE2  TYR  61           HE2      TYR  61 139.660  -2.196   1.633
  459    HH   TYR  61           HH       TYR  61 141.147  -1.839  -1.364
  460    H    ASN  62           HN       ASN  62 136.078   0.789   0.165
  461    HA   ASN  62           HA       ASN  62 134.897   1.760  -2.355
  462    HB2  ASN  62           HB2      ASN  62 134.943   3.211  -0.153
  463    HB3  ASN  62           HB1      ASN  62 136.613   3.503  -0.624
  464   HD21  ASN  62          HD21      ASN  62 136.242   5.685  -0.999
  465   HD22  ASN  62          HD22      ASN  62 135.349   6.247  -2.366
  466    H    THR  63           HN       THR  63 136.107   1.550  -4.106
  467    HA   THR  63           HA       THR  63 138.804   0.601  -3.956
  468    HB   THR  63           HB       THR  63 138.716   0.653  -6.422
  469    HG1  THR  63           HG1      THR  63 137.511   2.323  -7.024
  470   HG21  THR  63          HG21      THR  63 136.107  -0.440  -6.217
  471   HG22  THR  63          HG22      THR  63 137.008  -0.870  -4.763
  472   HG23  THR  63          HG23      THR  63 137.652  -1.279  -6.354
  473    H    GLU  64           HN       GLU  64 137.320   3.717  -4.308
  474    HA   GLU  64           HA       GLU  64 139.288   5.165  -5.614
  475    HB2  GLU  64           HB2      GLU  64 137.024   5.994  -4.988
  476    HB3  GLU  64           HB1      GLU  64 137.570   6.129  -3.322
  477    HG2  GLU  64           HG2      GLU  64 138.882   7.949  -3.751
  478    HG3  GLU  64           HG1      GLU  64 139.113   7.523  -5.446
  479    H    THR  65           HN       THR  65 138.868   4.987  -2.061
  480    HA   THR  65           HA       THR  65 141.671   5.781  -1.747
  481    HB   THR  65           HB       THR  65 140.086   7.089  -0.467
  482    HG1  THR  65           HG1      THR  65 141.451   5.342   1.301
  483   HG21  THR  65          HG21      THR  65 138.769   4.629   0.006
  484   HG22  THR  65          HG22      THR  65 138.270   6.259   0.457
  485   HG23  THR  65          HG23      THR  65 139.259   5.302   1.560
  486    H    GLY  66           HN       GLY  66 139.497   3.091  -1.097
  487    HA2  GLY  66           HA2      GLY  66 140.191   0.849  -0.925
  488    HA3  GLY  66           HA1      GLY  66 141.822   1.403  -0.587
  489    H    GLU  67           HN       GLU  67 138.570   1.638   0.888
  490    HA   GLU  67           HA       GLU  67 139.695   0.650   3.397
  491    HB2  GLU  67           HB2      GLU  67 139.563   3.312   3.100
  492    HB3  GLU  67           HB1      GLU  67 137.922   3.019   3.654
  493    HG2  GLU  67           HG2      GLU  67 138.635   2.210   5.720
  494    HG3  GLU  67           HG1      GLU  67 140.275   1.920   5.146
  495    H    SER  68           HN       SER  68 138.259  -0.422   4.697
  496    HA   SER  68           HA       SER  68 135.729  -1.154   3.477
  497    HB2  SER  68           HB2      SER  68 135.736  -2.607   5.730
  498    HB3  SER  68           HB1      SER  68 136.635  -3.094   4.294
  499    HG   SER  68           HG       SER  68 138.410  -2.851   5.383
  500    H    ARG  69           HN       ARG  69 133.717  -0.769   4.309
  501    HA   ARG  69           HA       ARG  69 133.509   0.849   6.754
  502    HB2  ARG  69           HB2      ARG  69 133.400   2.178   4.533
  503    HB3  ARG  69           HB1      ARG  69 131.823   1.431   4.331
  504    HG2  ARG  69           HG2      ARG  69 130.916   2.993   5.603
  505    HG3  ARG  69           HG1      ARG  69 131.940   2.498   6.952
  506    HD2  ARG  69           HD2      ARG  69 133.745   3.921   5.662
  507    HD3  ARG  69           HD1      ARG  69 132.319   4.706   4.985
  508    HE   ARG  69           HE       ARG  69 132.009   5.749   6.990
  509   HH11  ARG  69          HH11      ARG  69 134.060   2.961   7.505
  510   HH12  ARG  69          HH12      ARG  69 134.389   3.348   9.159
  511   HH21  ARG  69          HH21      ARG  69 132.441   6.259   9.176
  512   HH22  ARG  69          HH22      ARG  69 133.469   5.224  10.110
  513    H    TRP  70           HN       TRP  70 131.387   0.780   7.763
  514    HA   TRP  70           HA       TRP  70 129.753  -1.529   6.933
  515    HB2  TRP  70           HB2      TRP  70 130.333  -0.745   9.800
  516    HB3  TRP  70           HB1      TRP  70 129.417  -2.145   9.253
  517    HD1  TRP  70           HD1      TRP  70 133.030  -0.811   9.360
  518    HE1  TRP  70           HE1      TRP  70 134.640  -2.812   9.202
  519    HE3  TRP  70           HE3      TRP  70 129.624  -4.538   8.532
  520    HZ2  TRP  70           HZ2      TRP  70 134.489  -5.599   8.784
  521    HZ3  TRP  70           HZ3      TRP  70 130.442  -6.844   8.265
  522    HH2  TRP  70           HH2      TRP  70 132.825  -7.361   8.388
  523    H    GLU  71           HN       GLU  71 129.404   1.293   6.337
  524    HA   GLU  71           HA       GLU  71 126.706   1.617   7.400
  525    HB2  GLU  71           HB2      GLU  71 128.988   3.462   7.877
  526    HB3  GLU  71           HB1      GLU  71 127.443   4.201   7.476
  527    HG2  GLU  71           HG2      GLU  71 126.717   2.383   9.373
  528    HG3  GLU  71           HG1      GLU  71 128.317   2.870   9.927
  529    H    LYS  72           HN       LYS  72 125.290   2.393   5.907
  530    HA   LYS  72           HA       LYS  72 126.108   2.544   3.184
  531    HB2  LYS  72           HB2      LYS  72 123.790   1.921   4.331
  532    HB3  LYS  72           HB1      LYS  72 123.465   3.623   4.036
  533    HG2  LYS  72           HG2      LYS  72 123.229   3.325   1.831
  534    HG3  LYS  72           HG1      LYS  72 124.574   2.187   1.734
  535    HD2  LYS  72           HD2      LYS  72 123.217   0.407   1.880
  536    HD3  LYS  72           HD1      LYS  72 122.262   1.130   3.175
  537    HE2  LYS  72           HE2      LYS  72 122.003   1.937   0.284
  538    HE3  LYS  72           HE1      LYS  72 121.030   0.664   1.020
  539    HZ1  LYS  72           HZ1      LYS  72 121.102   3.248   2.383
  540    HZ2  LYS  72           HZ2      LYS  72 119.829   2.147   2.220
  541    HZ3  LYS  72           HZ3      LYS  72 120.233   3.167   0.934
  542    HA   PRO  73           HA       PRO  73 127.399   6.775   2.894
  543    HB2  PRO  73           HB2      PRO  73 126.321   6.606   0.131
  544    HB3  PRO  73           HB1      PRO  73 127.937   7.058   0.684
  545    HG2  PRO  73           HG2      PRO  73 127.502   4.687  -0.445
  546    HG3  PRO  73           HG1      PRO  73 128.614   4.851   0.927
  547    HD2  PRO  73           HD2      PRO  73 125.812   3.805   0.870
  548    HD3  PRO  73           HD1      PRO  73 127.215   3.223   1.790
  549    H    ASP  74           HN       ASP  74 126.245   8.313   3.862
  550    HA   ASP  74           HA       ASP  74 123.712   9.158   2.645
  551    HB2  ASP  74           HB2      ASP  74 124.183   8.295   5.463
  552    HB3  ASP  74           HB1      ASP  74 123.063   9.623   5.177
  553    H    ASP  75           HN       ASP  75 123.886  11.229   2.087
  554    HA   ASP  75           HA       ASP  75 125.257  13.083   3.901
  555    HB2  ASP  75           HB2      ASP  75 126.204  12.270   1.313
  556    HB3  ASP  75           HB1      ASP  75 125.792  13.981   1.270
  Start of MODEL    9
    1    H1   ASP   1           HT1      ASP   1 115.163  -8.818 -12.456
    2    H2   ASP   1           HT2      ASP   1 114.053  -7.510 -12.525
    3    H3   ASP   1           HT3      ASP   1 114.077  -8.548 -11.159
    4    HA   ASP   1           HA       ASP   1 116.373  -7.840 -10.751
    5    HB2  ASP   1           HB2      ASP   1 116.630  -7.027 -13.149
    6    HB3  ASP   1           HB1      ASP   1 115.675  -5.621 -12.683
    7    HA   PRO   2           HA       PRO   2 114.026  -5.507  -7.784
    8    HB2  PRO   2           HB2      PRO   2 116.040  -4.803  -6.124
    9    HB3  PRO   2           HB1      PRO   2 115.414  -6.453  -6.206
   10    HG2  PRO   2           HG2      PRO   2 117.866  -5.290  -7.464
   11    HG3  PRO   2           HG1      PRO   2 117.655  -6.856  -6.662
   12    HD2  PRO   2           HD2      PRO   2 117.660  -6.544  -9.369
   13    HD3  PRO   2           HD1      PRO   2 116.770  -7.835  -8.541
   14    H    SER   3           HN       SER   3 113.344  -3.726  -9.018
   15    HA   SER   3           HA       SER   3 114.893  -1.296  -8.570
   16    HB2  SER   3           HB2      SER   3 115.190  -2.451 -10.970
   17    HB3  SER   3           HB1      SER   3 113.712  -1.545 -11.287
   18    HG   SER   3           HG       SER   3 116.251  -0.654 -11.096
   19    H    LYS   4           HN       LYS   4 111.974  -2.294 -10.353
   20    HA   LYS   4           HA       LYS   4 110.534   0.024  -9.449
   21    HB2  LYS   4           HB2      LYS   4 110.213  -1.062 -11.699
   22    HB3  LYS   4           HB1      LYS   4 109.417  -2.393 -10.872
   23    HG2  LYS   4           HG2      LYS   4 107.504  -1.274 -10.692
   24    HG3  LYS   4           HG1      LYS   4 108.313   0.188 -10.126
   25    HD2  LYS   4           HD2      LYS   4 107.513   0.974 -12.108
   26    HD3  LYS   4           HD1      LYS   4 109.042   0.308 -12.682
   27    HE2  LYS   4           HE2      LYS   4 107.414  -0.468 -14.195
   28    HE3  LYS   4           HE1      LYS   4 107.764  -1.838 -13.143
   29    HZ1  LYS   4           HZ1      LYS   4 105.450  -1.772 -13.309
   30    HZ2  LYS   4           HZ2      LYS   4 105.376  -0.091 -13.145
   31    HZ3  LYS   4           HZ3      LYS   4 105.763  -1.055 -11.810
   32    H    GLY   5           HN       GLY   5 109.701   0.173  -7.470
   33    HA2  GLY   5           HA2      GLY   5 108.827  -2.295  -6.121
   34    HA3  GLY   5           HA1      GLY   5 109.328  -0.825  -5.302
   35    H    ARG   6           HN       ARG   6 106.840  -2.474  -5.160
   36    HA   ARG   6           HA       ARG   6 104.926  -0.294  -5.673
   37    HB2  ARG   6           HB2      ARG   6 104.459  -3.267  -5.954
   38    HB3  ARG   6           HB1      ARG   6 103.188  -2.055  -6.012
   39    HG2  ARG   6           HG2      ARG   6 104.978  -1.138  -7.882
   40    HG3  ARG   6           HG1      ARG   6 105.076  -2.890  -8.065
   41    HD2  ARG   6           HD2      ARG   6 103.378  -2.095  -9.542
   42    HD3  ARG   6           HD1      ARG   6 102.587  -2.940  -8.212
   43    HE   ARG   6           HE       ARG   6 102.820  -0.101  -7.805
   44   HH11  ARG   6          HH11      ARG   6 100.866  -2.639  -9.227
   45   HH12  ARG   6          HH12      ARG   6  99.407  -1.710  -9.182
   46   HH21  ARG   6          HH21      ARG   6 100.883   1.116  -7.749
   47   HH22  ARG   6          HH22      ARG   6  99.417   0.416  -8.346
   48    H    TRP   7           HN       TRP   7 105.105   0.499  -3.588
   49    HA   TRP   7           HA       TRP   7 104.239  -1.294  -1.421
   50    HB2  TRP   7           HB2      TRP   7 105.803   1.291  -1.294
   51    HB3  TRP   7           HB1      TRP   7 105.289   0.359   0.107
   52    HD1  TRP   7           HD1      TRP   7 107.762   0.235  -2.827
   53    HE1  TRP   7           HE1      TRP   7 109.599  -1.480  -2.275
   54    HE3  TRP   7           HE3      TRP   7 105.799  -1.704   1.477
   55    HZ2  TRP   7           HZ2      TRP   7 110.146  -3.400  -0.278
   56    HZ3  TRP   7           HZ3      TRP   7 107.040  -3.477   2.645
   57    HH2  TRP   7           HH2      TRP   7 109.169  -4.307   1.784
   58    H    VAL   8           HN       VAL   8 102.631  -0.634   0.015
   59    HA   VAL   8           HA       VAL   8 100.970   1.613  -0.926
   60    HB   VAL   8           HB       VAL   8  99.887  -0.585  -1.162
   61   HG11  VAL   8          HG11      VAL   8 100.254  -0.754   1.824
   62   HG12  VAL   8          HG12      VAL   8 100.915  -1.837   0.599
   63   HG13  VAL   8          HG13      VAL   8  99.177  -1.796   0.898
   64   HG21  VAL   8          HG21      VAL   8  98.831   1.623   0.433
   65   HG22  VAL   8          HG22      VAL   8  97.979   0.100   0.678
   66   HG23  VAL   8          HG23      VAL   8  98.126   0.776  -0.943
   67    H    GLU   9           HN       GLU   9 100.300   3.161   0.521
   68    HA   GLU   9           HA       GLU   9 101.655   3.163   3.096
   69    HB2  GLU   9           HB2      GLU   9 101.631   5.158   1.523
   70    HB3  GLU   9           HB1      GLU   9  99.938   5.364   1.948
   71    HG2  GLU   9           HG2      GLU   9 101.781   5.145   4.226
   72    HG3  GLU   9           HG1      GLU   9 101.998   6.569   3.211
   73    H    GLY  10           HN       GLY  10 100.712   2.837   5.004
   74    HA2  GLY  10           HA2      GLY  10  97.772   2.919   5.157
   75    HA3  GLY  10           HA1      GLY  10  98.646   1.512   5.742
   76    H    ILE  11           HN       ILE  11  96.881   3.425   7.147
   77    HA   ILE  11           HA       ILE  11  98.706   4.771   8.989
   78    HB   ILE  11           HB       ILE  11  95.691   4.743   9.119
   79   HG12  ILE  11          HG12      ILE  11  96.442   5.569   6.909
   80   HG13  ILE  11          HG11      ILE  11  95.694   6.835   7.875
   81   HG21  ILE  11          HG21      ILE  11  96.483   5.548  11.146
   82   HG22  ILE  11          HG22      ILE  11  96.218   7.021  10.212
   83   HG23  ILE  11          HG23      ILE  11  97.849   6.377  10.398
   84   HD11  ILE  11          HD11      ILE  11  97.609   8.020   8.045
   85   HD12  ILE  11          HD12      ILE  11  97.965   7.179   6.537
   86   HD13  ILE  11          HD13      ILE  11  98.633   6.584   8.056
   87    H    THR  12           HN       THR  12  98.917   4.259  11.153
   88    HA   THR  12           HA       THR  12  97.560   1.809  12.063
   89    HB   THR  12           HB       THR  12 100.164   2.308  13.307
   90    HG1  THR  12           HG1      THR  12 101.414   2.054  11.594
   91   HG21  THR  12          HG21      THR  12 100.417  -0.126  12.345
   92   HG22  THR  12          HG22      THR  12  98.663   0.001  12.212
   93   HG23  THR  12          HG23      THR  12  99.447   0.208  13.779
   94    H    SER  13           HN       SER  13  97.451   1.602  14.436
   95    HA   SER  13           HA       SER  13  96.169   3.712  15.653
   96    HB2  SER  13           HB2      SER  13  96.566   1.156  16.356
   97    HB3  SER  13           HB1      SER  13  97.724   1.921  17.445
   98    HG   SER  13           HG       SER  13  94.930   2.281  17.293
   99    H    GLU  14           HN       GLU  14  96.725   5.197  17.284
  100    HA   GLU  14           HA       GLU  14  98.026   6.630  18.495
  101    HB2  GLU  14           HB2      GLU  14  99.723   4.473  18.319
  102    HB3  GLU  14           HB1      GLU  14 100.661   5.752  17.559
  103    HG2  GLU  14           HG2      GLU  14  99.365   6.045  20.252
  104    HG3  GLU  14           HG1      GLU  14 101.010   5.453  20.024
  105    H    GLY  15           HN       GLY  15  99.571   5.867  15.347
  106    HA2  GLY  15           HA2      GLY  15  98.985   7.807  13.724
  107    HA3  GLY  15           HA1      GLY  15  99.891   8.755  14.896
  108    H    TYR  16           HN       TYR  16 100.392   5.556  13.398
  109    HA   TYR  16           HA       TYR  16 103.064   6.481  12.559
  110    HB2  TYR  16           HB2      TYR  16 102.329   3.615  13.162
  111    HB3  TYR  16           HB1      TYR  16 103.937   4.294  12.940
  112    HD1  TYR  16           HD2      TYR  16 104.311   6.416  14.670
  113    HD2  TYR  16           HD1      TYR  16 101.847   3.008  15.325
  114    HE1  TYR  16           HE2      TYR  16 104.507   6.748  17.097
  115    HE2  TYR  16           HE1      TYR  16 102.037   3.332  17.754
  116    HH   TYR  16           HH       TYR  16 103.022   6.095  19.174
  117    H    HIS  17           HN       HIS  17 103.807   5.875  10.520
  118    HA   HIS  17           HA       HIS  17 101.692   4.947   8.696
  119    HB2  HIS  17           HB2      HIS  17 104.118   6.681   8.277
  120    HB3  HIS  17           HB1      HIS  17 103.276   5.931   6.925
  121    HD1  HIS  17           HD1      HIS  17 102.170   7.905   5.866
  122    HD2  HIS  17           HD2      HIS  17 101.519   7.738   9.967
  123    HE1  HIS  17           HE1      HIS  17 100.508   9.725   6.358
  124    HE2  HIS  17           HE2      HIS  17 100.177   9.646   8.855
  125    H    TYR  18           HN       TYR  18 101.818   2.922   8.064
  126    HA   TYR  18           HA       TYR  18 104.459   1.637   7.909
  127    HB2  TYR  18           HB2      TYR  18 103.474  -0.437   8.448
  128    HB3  TYR  18           HB1      TYR  18 102.740   0.719   9.551
  129    HD1  TYR  18           HD2      TYR  18 100.401   1.527   9.089
  130    HD2  TYR  18           HD1      TYR  18 102.159  -1.700   6.945
  131    HE1  TYR  18           HE2      TYR  18  98.168   0.795   8.373
  132    HE2  TYR  18           HE1      TYR  18  99.929  -2.442   6.223
  133    HH   TYR  18           HH       TYR  18  97.447  -0.879   6.009
  134    H    TYR  19           HN       TYR  19 104.903   0.228   6.155
  135    HA   TYR  19           HA       TYR  19 103.184   0.671   3.801
  136    HB2  TYR  19           HB2      TYR  19 106.204   0.493   3.789
  137    HB3  TYR  19           HB1      TYR  19 105.165   0.811   2.403
  138    HD1  TYR  19           HD1      TYR  19 103.544   2.911   2.754
  139    HD2  TYR  19           HD2      TYR  19 107.237   2.308   4.783
  140    HE1  TYR  19           HE1      TYR  19 103.693   5.323   3.191
  141    HE2  TYR  19           HE2      TYR  19 107.391   4.722   5.226
  142    HH   TYR  19           HH       TYR  19 104.854   6.810   4.959
  143    H    TYR  20           HN       TYR  20 103.051  -1.019   2.281
  144    HA   TYR  20           HA       TYR  20 104.219  -3.590   3.095
  145    HB2  TYR  20           HB2      TYR  20 102.005  -3.698   3.983
  146    HB3  TYR  20           HB1      TYR  20 101.310  -3.026   2.514
  147    HD1  TYR  20           HD2      TYR  20 101.139  -4.420   0.477
  148    HD2  TYR  20           HD1      TYR  20 102.481  -6.037   4.179
  149    HE1  TYR  20           HE2      TYR  20 100.737  -6.685  -0.376
  150    HE2  TYR  20           HE1      TYR  20 102.080  -8.311   3.335
  151    HH   TYR  20           HH       TYR  20 101.479  -8.979   0.051
  152    H    ASP  21           HN       ASP  21 104.708  -5.003   1.433
  153    HA   ASP  21           HA       ASP  21 104.508  -3.875  -1.281
  154    HB2  ASP  21           HB2      ASP  21 106.806  -4.249  -0.267
  155    HB3  ASP  21           HB1      ASP  21 106.475  -5.972  -0.369
  156    H    LEU  22           HN       LEU  22 103.258  -4.888  -2.695
  157    HA   LEU  22           HA       LEU  22 102.007  -7.390  -1.997
  158    HB2  LEU  22           HB2      LEU  22 100.920  -7.085  -4.291
  159    HB3  LEU  22           HB1      LEU  22 100.512  -5.952  -3.021
  160    HG   LEU  22           HG       LEU  22 102.739  -5.146  -4.795
  161   HD11  LEU  22          HD11      LEU  22 100.014  -5.751  -5.788
  162   HD12  LEU  22          HD12      LEU  22 101.566  -5.798  -6.623
  163   HD13  LEU  22          HD13      LEU  22 100.766  -4.254  -6.334
  164   HD21  LEU  22          HD21      LEU  22 102.109  -3.061  -4.196
  165   HD22  LEU  22          HD22      LEU  22 101.338  -3.917  -2.860
  166   HD23  LEU  22          HD23      LEU  22 100.389  -3.438  -4.267
  167    H    ILE  23           HN       ILE  23 104.525  -6.338  -4.211
  168    HA   ILE  23           HA       ILE  23 104.590  -8.565  -5.903
  169    HB   ILE  23           HB       ILE  23 107.006  -6.985  -5.014
  170   HG12  ILE  23          HG12      ILE  23 105.790  -6.251  -7.571
  171   HG13  ILE  23          HG11      ILE  23 104.723  -5.954  -6.203
  172   HG21  ILE  23          HG21      ILE  23 106.439  -8.602  -7.496
  173   HG22  ILE  23          HG22      ILE  23 107.583  -8.996  -6.214
  174   HG23  ILE  23          HG23      ILE  23 107.869  -7.598  -7.249
  175   HD11  ILE  23          HD11      ILE  23 107.558  -4.986  -6.239
  176   HD12  ILE  23          HD12      ILE  23 106.221  -4.455  -5.218
  177   HD13  ILE  23          HD13      ILE  23 106.232  -4.058  -6.936
  178    H    SER  24           HN       SER  24 106.547  -7.932  -2.994
  179    HA   SER  24           HA       SER  24 107.480 -10.676  -2.954
  180    HB2  SER  24           HB2      SER  24 108.976  -9.993  -1.243
  181    HB3  SER  24           HB1      SER  24 108.903  -8.642  -2.372
  182    HG   SER  24           HG       SER  24 107.535  -7.567  -0.960
  183    H    GLY  25           HN       GLY  25 105.244  -8.621  -1.154
  184    HA2  GLY  25           HA2      GLY  25 103.407  -9.322   0.095
  185    HA3  GLY  25           HA1      GLY  25 103.981 -10.977  -0.032
  186    H    ALA  26           HN       ALA  26 105.336  -7.957   1.311
  187    HA   ALA  26           HA       ALA  26 105.492  -9.248   3.935
  188    HB1  ALA  26           HB1      ALA  26 107.842  -8.312   4.174
  189    HB2  ALA  26           HB2      ALA  26 107.831  -8.120   2.421
  190    HB3  ALA  26           HB3      ALA  26 107.652  -9.724   3.133
  191    H    SER  27           HN       SER  27 105.494  -7.851   5.697
  192    HA   SER  27           HA       SER  27 104.466  -5.195   5.125
  193    HB2  SER  27           HB2      SER  27 103.721  -5.126   7.377
  194    HB3  SER  27           HB1      SER  27 103.449  -6.786   6.847
  195    HG   SER  27           HG       SER  27 105.358  -5.773   8.636
  196    H    GLN  28           HN       GLN  28 105.528  -3.338   5.417
  197    HA   GLN  28           HA       GLN  28 108.174  -3.419   6.712
  198    HB2  GLN  28           HB2      GLN  28 108.262  -3.331   4.201
  199    HB3  GLN  28           HB1      GLN  28 107.440  -1.781   4.274
  200    HG2  GLN  28           HG2      GLN  28 109.883  -1.610   3.960
  201    HG3  GLN  28           HG1      GLN  28 109.296  -0.778   5.397
  202   HE21  GLN  28          HE21      GLN  28 111.449  -3.098   4.174
  203   HE22  GLN  28          HE22      GLN  28 112.062  -3.674   5.683
  204    H    TRP  29           HN       TRP  29 108.940  -1.172   7.336
  205    HA   TRP  29           HA       TRP  29 106.678   0.532   8.134
  206    HB2  TRP  29           HB2      TRP  29 108.991  -0.413   9.815
  207    HB3  TRP  29           HB1      TRP  29 108.066   1.026  10.233
  208    HD1  TRP  29           HD1      TRP  29 107.820  -2.773  10.149
  209    HE1  TRP  29           HE1      TRP  29 105.709  -3.502  11.427
  210    HE3  TRP  29           HE3      TRP  29 105.684   1.816  10.880
  211    HZ2  TRP  29           HZ2      TRP  29 103.438  -2.294  12.590
  212    HZ3  TRP  29           HZ3      TRP  29 103.543   1.941  12.085
  213    HH2  TRP  29           HH2      TRP  29 102.444  -0.073  12.921
  214    H    GLU  30           HN       GLU  30 110.186   0.381   7.561
  215    HA   GLU  30           HA       GLU  30 110.557   3.201   7.539
  216    HB2  GLU  30           HB2      GLU  30 112.196   0.844   6.676
  217    HB3  GLU  30           HB1      GLU  30 112.707   2.469   6.238
  218    HG2  GLU  30           HG2      GLU  30 112.080   1.756   9.076
  219    HG3  GLU  30           HG1      GLU  30 113.655   1.405   8.370
  220    H    LYS  31           HN       LYS  31 110.945   4.578   5.738
  221    HA   LYS  31           HA       LYS  31 109.462   3.757   3.348
  222    HB2  LYS  31           HB2      LYS  31 109.008   5.919   4.731
  223    HB3  LYS  31           HB1      LYS  31 110.404   6.556   3.873
  224    HG2  LYS  31           HG2      LYS  31 109.109   5.715   1.758
  225    HG3  LYS  31           HG1      LYS  31 107.714   5.813   2.833
  226    HD2  LYS  31           HD2      LYS  31 109.635   8.101   2.517
  227    HD3  LYS  31           HD1      LYS  31 108.271   7.873   1.421
  228    HE2  LYS  31           HE2      LYS  31 106.730   8.415   3.003
  229    HE3  LYS  31           HE1      LYS  31 107.697   7.763   4.325
  230    HZ1  LYS  31           HZ1      LYS  31 107.718  10.432   3.146
  231    HZ2  LYS  31           HZ2      LYS  31 109.210   9.815   3.650
  232    HZ3  LYS  31           HZ3      LYS  31 107.938   9.958   4.755
  233    HA   PRO  32           HA       PRO  32 113.633   3.358   1.576
  234    HB2  PRO  32           HB2      PRO  32 112.863   1.923  -0.591
  235    HB3  PRO  32           HB1      PRO  32 113.087   1.195   1.004
  236    HG2  PRO  32           HG2      PRO  32 110.557   2.075  -0.337
  237    HG3  PRO  32           HG1      PRO  32 110.881   0.585   0.567
  238    HD2  PRO  32           HD2      PRO  32 109.585   2.691   1.660
  239    HD3  PRO  32           HD1      PRO  32 110.635   1.623   2.612
  240    H    GLU  33           HN       GLU  33 114.291   3.566  -0.906
  241    HA   GLU  33           HA       GLU  33 113.418   6.208  -1.700
  242    HB2  GLU  33           HB2      GLU  33 115.540   4.348  -2.771
  243    HB3  GLU  33           HB1      GLU  33 115.178   5.911  -3.492
  244    HG2  GLU  33           HG2      GLU  33 115.525   6.431  -0.778
  245    HG3  GLU  33           HG1      GLU  33 116.786   5.272  -1.192
  246    H    GLY  34           HN       GLY  34 112.081   6.707  -3.326
  247    HA2  GLY  34           HA2      GLY  34 111.199   6.336  -5.531
  248    HA3  GLY  34           HA1      GLY  34 111.396   4.612  -5.276
  249    H    PHE  35           HN       PHE  35 110.040   6.447  -2.668
  250    HA   PHE  35           HA       PHE  35 107.409   5.286  -3.290
  251    HB2  PHE  35           HB2      PHE  35 108.569   4.543  -1.178
  252    HB3  PHE  35           HB1      PHE  35 108.401   6.190  -0.581
  253    HD1  PHE  35           HD1      PHE  35 106.575   3.146  -1.547
  254    HD2  PHE  35           HD2      PHE  35 106.312   7.005   0.230
  255    HE1  PHE  35           HE1      PHE  35 104.325   2.607  -0.712
  256    HE2  PHE  35           HE2      PHE  35 104.062   6.469   1.068
  257    HZ   PHE  35           HZ       PHE  35 103.066   4.266   0.595
  258    H    GLN  36           HN       GLN  36 108.898   8.164  -1.787
  259    HA   GLN  36           HA       GLN  36 106.679   9.772  -2.858
  260    HB2  GLN  36           HB2      GLN  36 107.424   9.370  -0.083
  261    HB3  GLN  36           HB1      GLN  36 107.526  11.068  -0.527
  262    HG2  GLN  36           HG2      GLN  36 105.100   9.415  -1.133
  263    HG3  GLN  36           HG1      GLN  36 105.323  10.220   0.418
  264   HE21  GLN  36          HE21      GLN  36 106.189  12.617  -0.018
  265   HE22  GLN  36          HE22      GLN  36 105.183  13.515  -1.097
  266    H    GLY  37           HN       GLY  37 107.535  11.121  -4.336
  267    HA2  GLY  37           HA2      GLY  37 109.417  13.088  -3.726
  268    HA3  GLY  37           HA1      GLY  37 110.294  11.756  -4.464
  269    H    ASP  38           HN       ASP  38 109.620  14.595  -5.336
  270    HA   ASP  38           HA       ASP  38 108.766  13.853  -8.043
  271    HB2  ASP  38           HB2      ASP  38 107.583  16.074  -6.376
  272    HB3  ASP  38           HB1      ASP  38 107.396  15.977  -8.124
  273    H    LEU  39           HN       LEU  39 111.383  14.216  -7.424
  274    HA   LEU  39           HA       LEU  39 112.104  16.400  -9.123
  275    HB2  LEU  39           HB2      LEU  39 111.777  17.433  -6.809
  276    HB3  LEU  39           HB1      LEU  39 113.192  16.526  -6.314
  277    HG   LEU  39           HG       LEU  39 113.523  18.219  -8.721
  278   HD11  LEU  39          HD11      LEU  39 112.118  19.434  -6.816
  279   HD12  LEU  39          HD12      LEU  39 113.366  20.264  -7.746
  280   HD13  LEU  39          HD13      LEU  39 113.730  19.649  -6.134
  281   HD21  LEU  39          HD21      LEU  39 115.655  18.740  -7.474
  282   HD22  LEU  39          HD22      LEU  39 115.430  17.055  -7.936
  283   HD23  LEU  39          HD23      LEU  39 115.141  17.558  -6.272
  284    H    LYS  40           HN       LYS  40 112.834  14.433 -10.199
  285    HA   LYS  40           HA       LYS  40 114.478  13.042 -10.936
  286    HB2  LYS  40           HB2      LYS  40 115.817  15.242 -10.198
  287    HB3  LYS  40           HB1      LYS  40 116.507  14.116  -9.037
  288    HG2  LYS  40           HG2      LYS  40 117.504  12.827 -10.684
  289    HG3  LYS  40           HG1      LYS  40 116.424  13.426 -11.945
  290    HD2  LYS  40           HD2      LYS  40 117.562  15.447 -12.133
  291    HD3  LYS  40           HD1      LYS  40 118.300  15.289 -10.538
  292    HE2  LYS  40           HE2      LYS  40 119.375  13.142 -11.694
  293    HE3  LYS  40           HE1      LYS  40 119.112  14.116 -13.140
  294    HZ1  LYS  40           HZ1      LYS  40 120.830  14.694 -10.811
  295    HZ2  LYS  40           HZ2      LYS  40 120.276  15.952 -11.799
  296    HZ3  LYS  40           HZ3      LYS  40 121.225  14.717 -12.457
  297    H    LYS  41           HN       LYS  41 116.061  11.305 -10.207
  298    HA   LYS  41           HA       LYS  41 115.361  10.258  -7.544
  299    HB2  LYS  41           HB2      LYS  41 114.750   9.119 -10.120
  300    HB3  LYS  41           HB1      LYS  41 115.828   8.048  -9.238
  301    HG2  LYS  41           HG2      LYS  41 113.965   7.246  -8.309
  302    HG3  LYS  41           HG1      LYS  41 113.999   8.705  -7.318
  303    HD2  LYS  41           HD2      LYS  41 112.665   9.793  -9.225
  304    HD3  LYS  41           HD1      LYS  41 112.389   8.145  -9.792
  305    HE2  LYS  41           HE2      LYS  41 110.537   8.445  -8.476
  306    HE3  LYS  41           HE1      LYS  41 111.654   7.751  -7.302
  307    HZ1  LYS  41           HZ1      LYS  41 110.991   9.539  -6.117
  308    HZ2  LYS  41           HZ2      LYS  41 110.591  10.458  -7.477
  309    HZ3  LYS  41           HZ3      LYS  41 112.207  10.322  -6.994
  310    H    THR  42           HN       THR  42 116.886   8.204  -7.149
  311    HA   THR  42           HA       THR  42 119.582   9.264  -7.300
  312    HB   THR  42           HB       THR  42 118.605   6.762  -5.915
  313    HG1  THR  42           HG1      THR  42 118.299   7.997  -4.149
  314   HG21  THR  42          HG21      THR  42 121.217   7.715  -6.298
  315   HG22  THR  42          HG22      THR  42 120.678   6.419  -5.230
  316   HG23  THR  42          HG23      THR  42 120.787   8.073  -4.626
  317    H    ALA  43           HN       ALA  43 118.140   6.067  -7.921
  318    HA   ALA  43           HA       ALA  43 118.626   4.427  -9.423
  319    HB1  ALA  43           HB1      ALA  43 118.162   5.619 -11.290
  320    HB2  ALA  43           HB2      ALA  43 119.894   5.430 -11.559
  321    HB3  ALA  43           HB3      ALA  43 119.267   6.925 -10.867
  322    H    VAL  44           HN       VAL  44 120.062   3.073  -8.464
  323    HA   VAL  44           HA       VAL  44 122.928   3.739  -8.655
  324    HB   VAL  44           HB       VAL  44 121.696   1.720  -6.779
  325   HG11  VAL  44          HG11      VAL  44 124.410   2.603  -7.380
  326   HG12  VAL  44          HG12      VAL  44 123.848   1.156  -6.545
  327   HG13  VAL  44          HG13      VAL  44 124.018   2.672  -5.662
  328   HG21  VAL  44          HG21      VAL  44 121.968   4.662  -6.543
  329   HG22  VAL  44          HG22      VAL  44 122.351   3.695  -5.119
  330   HG23  VAL  44          HG23      VAL  44 120.757   3.576  -5.863
  331    H    LYS  45           HN       LYS  45 124.306   2.396  -9.700
  332    HA   LYS  45           HA       LYS  45 123.127   0.067 -11.042
  333    HB2  LYS  45           HB2      LYS  45 125.437   1.874 -11.677
  334    HB3  LYS  45           HB1      LYS  45 125.399   0.253 -12.355
  335    HG2  LYS  45           HG2      LYS  45 122.924   1.065 -13.007
  336    HG3  LYS  45           HG1      LYS  45 123.759   2.621 -12.993
  337    HD2  LYS  45           HD2      LYS  45 125.461   1.690 -14.525
  338    HD3  LYS  45           HD1      LYS  45 124.557   0.176 -14.578
  339    HE2  LYS  45           HE2      LYS  45 123.898   1.316 -16.513
  340    HE3  LYS  45           HE1      LYS  45 122.580   1.586 -15.376
  341    HZ1  LYS  45           HZ1      LYS  45 122.975   3.667 -16.292
  342    HZ2  LYS  45           HZ2      LYS  45 124.656   3.484 -16.279
  343    HZ3  LYS  45           HZ3      LYS  45 123.823   3.744 -14.829
  344    H    THR  46           HN       THR  46 123.827  -0.098  -8.274
  345    HA   THR  46           HA       THR  46 125.071  -1.251  -6.747
  346    HB   THR  46           HB       THR  46 125.404  -3.660  -7.414
  347    HG1  THR  46           HG1      THR  46 125.616  -3.809  -9.517
  348   HG21  THR  46          HG21      THR  46 123.235  -4.187  -7.091
  349   HG22  THR  46          HG22      THR  46 122.655  -2.999  -8.259
  350   HG23  THR  46          HG23      THR  46 123.161  -2.482  -6.651
  351    H    VAL  47           HN       VAL  47 126.951   0.058  -6.729
  352    HA   VAL  47           HA       VAL  47 129.275  -1.200  -8.040
  353    HB   VAL  47           HB       VAL  47 129.105   1.732  -7.335
  354   HG11  VAL  47          HG11      VAL  47 131.106  -0.040  -8.600
  355   HG12  VAL  47          HG12      VAL  47 131.328   1.406  -7.614
  356   HG13  VAL  47          HG13      VAL  47 130.902   1.557  -9.319
  357   HG21  VAL  47          HG21      VAL  47 127.522   1.729  -8.982
  358   HG22  VAL  47          HG22      VAL  47 128.165   0.277  -9.751
  359   HG23  VAL  47          HG23      VAL  47 128.971   1.830  -9.981
  360    H    TRP  48           HN       TRP  48 128.319  -1.978  -5.475
  361    HA   TRP  48           HA       TRP  48 130.507  -0.995  -3.758
  362    HB2  TRP  48           HB2      TRP  48 127.694  -1.753  -2.960
  363    HB3  TRP  48           HB1      TRP  48 129.003  -1.540  -1.806
  364    HD1  TRP  48           HD1      TRP  48 126.738   0.460  -4.165
  365    HE1  TRP  48           HE1      TRP  48 126.835   2.940  -3.486
  366    HE3  TRP  48           HE3      TRP  48 130.482   0.212  -0.684
  367    HZ2  TRP  48           HZ2      TRP  48 128.300   4.576  -1.713
  368    HZ3  TRP  48           HZ3      TRP  48 131.172   2.283   0.453
  369    HH2  TRP  48           HH2      TRP  48 130.102   4.419  -0.052
  370    H    VAL  49           HN       VAL  49 131.633  -2.486  -2.560
  371    HA   VAL  49           HA       VAL  49 131.188  -5.303  -3.286
  372    HB   VAL  49           HB       VAL  49 133.729  -4.340  -2.023
  373   HG11  VAL  49          HG11      VAL  49 133.932  -6.585  -2.217
  374   HG12  VAL  49          HG12      VAL  49 134.446  -6.160  -3.850
  375   HG13  VAL  49          HG13      VAL  49 132.788  -6.687  -3.556
  376   HG21  VAL  49          HG21      VAL  49 133.513  -2.769  -3.798
  377   HG22  VAL  49          HG22      VAL  49 132.974  -4.016  -4.922
  378   HG23  VAL  49          HG23      VAL  49 134.641  -4.010  -4.345
  379    H    GLU  50           HN       GLU  50 130.772  -6.803  -1.743
  380    HA   GLU  50           HA       GLU  50 130.397  -5.843   0.983
  381    HB2  GLU  50           HB2      GLU  50 128.602  -7.133  -0.128
  382    HB3  GLU  50           HB1      GLU  50 129.685  -8.512  -0.249
  383    HG2  GLU  50           HG2      GLU  50 129.725  -7.806   2.444
  384    HG3  GLU  50           HG1      GLU  50 128.040  -7.645   1.954
  385    H    GLY  51           HN       GLY  51 131.853  -6.141   2.521
  386    HA2  GLY  51           HA2      GLY  51 133.809  -8.331   2.193
  387    HA3  GLY  51           HA1      GLY  51 134.219  -6.771   2.887
  388    H    LEU  52           HN       LEU  52 134.677  -9.267   4.157
  389    HA   LEU  52           HA       LEU  52 132.708  -9.213   6.345
  390    HB2  LEU  52           HB2      LEU  52 133.181 -11.364   5.004
  391    HB3  LEU  52           HB1      LEU  52 134.695 -11.417   5.887
  392    HG   LEU  52           HG       LEU  52 133.319 -11.358   8.018
  393   HD11  LEU  52          HD11      LEU  52 131.253 -10.588   6.632
  394   HD12  LEU  52          HD12      LEU  52 131.037 -11.681   7.999
  395   HD13  LEU  52          HD13      LEU  52 131.031 -12.316   6.353
  396   HD21  LEU  52          HD21      LEU  52 134.281 -13.411   7.541
  397   HD22  LEU  52          HD22      LEU  52 133.328 -13.634   6.075
  398   HD23  LEU  52          HD23      LEU  52 132.566 -13.805   7.656
  399    H    SER  53           HN       SER  53 133.322  -8.769   8.390
  400    HA   SER  53           HA       SER  53 136.193  -8.352   8.906
  401    HB2  SER  53           HB2      SER  53 135.386  -6.164   8.833
  402    HB3  SER  53           HB1      SER  53 133.830  -6.609   9.529
  403    HG   SER  53           HG       SER  53 135.114  -5.512  11.044
  404    H    GLU  54           HN       GLU  54 136.912  -8.738  11.056
  405    HA   GLU  54           HA       GLU  54 136.019 -11.033  12.271
  406    HB2  GLU  54           HB2      GLU  54 138.101  -9.334  12.699
  407    HB3  GLU  54           HB1      GLU  54 137.135  -9.050  14.142
  408    HG2  GLU  54           HG2      GLU  54 138.118 -10.821  15.024
  409    HG3  GLU  54           HG1      GLU  54 137.182 -11.808  13.902
  410    H    ASP  55           HN       ASP  55 134.952 -11.455  14.270
  411    HA   ASP  55           HA       ASP  55 133.306 -11.292  15.813
  412    HB2  ASP  55           HB2      ASP  55 134.224  -8.538  15.546
  413    HB3  ASP  55           HB1      ASP  55 132.530  -8.640  16.010
  414    H    GLY  56           HN       GLY  56 132.864 -10.901  12.648
  415    HA2  GLY  56           HA2      GLY  56 130.963 -11.275  11.385
  416    HA3  GLY  56           HA1      GLY  56 130.012 -11.195  12.856
  417    H    PHE  57           HN       PHE  57 131.982  -9.003  10.841
  418    HA   PHE  57           HA       PHE  57 129.762  -7.067  10.956
  419    HB2  PHE  57           HB2      PHE  57 132.715  -6.407  11.083
  420    HB3  PHE  57           HB1      PHE  57 131.410  -5.233  11.010
  421    HD1  PHE  57           HD1      PHE  57 129.474  -6.119  12.924
  422    HD2  PHE  57           HD2      PHE  57 133.720  -6.317  13.129
  423    HE1  PHE  57           HE1      PHE  57 129.352  -6.127  15.381
  424    HE2  PHE  57           HE2      PHE  57 133.607  -6.330  15.583
  425    HZ   PHE  57           HZ       PHE  57 131.421  -6.235  16.715
  426    H    THR  58           HN       THR  58 129.073  -6.388   9.011
  427    HA   THR  58           HA       THR  58 130.654  -7.154   6.664
  428    HB   THR  58           HB       THR  58 127.925  -6.024   6.346
  429    HG1  THR  58           HG1      THR  58 128.385  -8.613   7.415
  430   HG21  THR  58          HG21      THR  58 129.670  -7.916   4.954
  431   HG22  THR  58          HG22      THR  58 128.446  -6.813   4.325
  432   HG23  THR  58          HG23      THR  58 127.966  -8.368   5.006
  433    H    TYR  59           HN       TYR  59 131.825  -5.696   5.651
  434    HA   TYR  59           HA       TYR  59 131.087  -2.857   5.884
  435    HB2  TYR  59           HB2      TYR  59 133.381  -2.255   5.753
  436    HB3  TYR  59           HB1      TYR  59 133.282  -3.565   6.921
  437    HD1  TYR  59           HD1      TYR  59 134.216  -5.765   6.406
  438    HD2  TYR  59           HD2      TYR  59 134.491  -2.553   3.629
  439    HE1  TYR  59           HE1      TYR  59 135.936  -7.000   5.156
  440    HE2  TYR  59           HE2      TYR  59 136.208  -3.778   2.371
  441    HH   TYR  59           HH       TYR  59 137.949  -5.633   2.957
  442    H    TYR  60           HN       TYR  60 131.141  -1.547   4.037
  443    HA   TYR  60           HA       TYR  60 131.301  -3.027   1.490
  444    HB2  TYR  60           HB2      TYR  60 129.447  -0.764   2.254
  445    HB3  TYR  60           HB1      TYR  60 129.599  -1.412   0.626
  446    HD1  TYR  60           HD1      TYR  60 129.386  -4.138   0.625
  447    HD2  TYR  60           HD2      TYR  60 127.616  -1.485   3.444
  448    HE1  TYR  60           HE1      TYR  60 127.676  -5.828   1.136
  449    HE2  TYR  60           HE2      TYR  60 125.905  -3.170   3.962
  450    HH   TYR  60           HH       TYR  60 125.786  -5.789   3.799
  451    H    TYR  61           HN       TYR  61 132.358  -2.086  -0.219
  452    HA   TYR  61           HA       TYR  61 133.619   0.530   0.269
  453    HB2  TYR  61           HB2      TYR  61 135.288  -1.201   0.647
  454    HB3  TYR  61           HB1      TYR  61 134.911  -1.941  -0.905
  455    HD1  TYR  61           HD2      TYR  61 136.377   1.066   0.691
  456    HD2  TYR  61           HD1      TYR  61 135.934  -1.175  -2.900
  457    HE1  TYR  61           HE2      TYR  61 138.105   2.450  -0.379
  458    HE2  TYR  61           HE1      TYR  61 137.660   0.203  -3.980
  459    HH   TYR  61           HH       TYR  61 139.760   1.666  -2.953
  460    H    ASN  62           HN       ASN  62 133.972   1.840  -1.541
  461    HA   ASN  62           HA       ASN  62 132.533   1.000  -3.972
  462    HB2  ASN  62           HB2      ASN  62 131.811   3.061  -2.424
  463    HB3  ASN  62           HB1      ASN  62 132.990   3.890  -3.431
  464   HD21  ASN  62          HD21      ASN  62 132.515   4.332  -5.524
  465   HD22  ASN  62          HD22      ASN  62 130.983   4.016  -6.251
  466    H    THR  63           HN       THR  63 133.616   0.965  -5.849
  467    HA   THR  63           HA       THR  63 136.445   1.483  -5.853
  468    HB   THR  63           HB       THR  63 136.272   0.741  -8.256
  469    HG1  THR  63           HG1      THR  63 134.316   0.027  -8.995
  470   HG21  THR  63          HG21      THR  63 134.951  -1.512  -7.280
  471   HG22  THR  63          HG22      THR  63 135.806  -0.822  -5.901
  472   HG23  THR  63          HG23      THR  63 136.690  -1.237  -7.369
  473    H    GLU  64           HN       GLU  64 133.593   3.143  -6.992
  474    HA   GLU  64           HA       GLU  64 134.748   4.844  -8.883
  475    HB2  GLU  64           HB2      GLU  64 132.282   4.480  -8.396
  476    HB3  GLU  64           HB1      GLU  64 132.471   5.599  -7.054
  477    HG2  GLU  64           HG2      GLU  64 133.465   7.164  -8.900
  478    HG3  GLU  64           HG1      GLU  64 132.552   6.116  -9.982
  479    H    THR  65           HN       THR  65 133.817   5.786  -5.562
  480    HA   THR  65           HA       THR  65 135.615   8.043  -5.643
  481    HB   THR  65           HB       THR  65 133.399   8.228  -4.582
  482    HG1  THR  65           HG1      THR  65 135.510   8.521  -2.708
  483   HG21  THR  65          HG21      THR  65 134.370   6.664  -2.237
  484   HG22  THR  65          HG22      THR  65 133.540   5.856  -3.565
  485   HG23  THR  65          HG23      THR  65 132.729   7.140  -2.671
  486    H    GLY  66           HN       GLY  66 135.461   4.919  -3.978
  487    HA2  GLY  66           HA2      GLY  66 137.316   3.678  -3.269
  488    HA3  GLY  66           HA1      GLY  66 138.317   5.108  -3.442
  489    H    GLU  67           HN       GLU  67 135.300   4.767  -1.597
  490    HA   GLU  67           HA       GLU  67 136.858   5.201   0.866
  491    HB2  GLU  67           HB2      GLU  67 135.720   7.275   0.208
  492    HB3  GLU  67           HB1      GLU  67 134.179   6.428   0.172
  493    HG2  GLU  67           HG2      GLU  67 134.528   5.929   2.617
  494    HG3  GLU  67           HG1      GLU  67 135.892   7.043   2.564
  495    H    SER  68           HN       SER  68 136.403   3.900   2.549
  496    HA   SER  68           HA       SER  68 134.660   1.663   2.119
  497    HB2  SER  68           HB2      SER  68 135.368   1.452   4.744
  498    HB3  SER  68           HB1      SER  68 136.351   0.866   3.403
  499    HG   SER  68           HG       SER  68 136.606   3.289   4.844
  500    H    ARG  69           HN       ARG  69 132.825   1.092   3.307
  501    HA   ARG  69           HA       ARG  69 131.571   3.215   4.907
  502    HB2  ARG  69           HB2      ARG  69 130.773   2.968   2.426
  503    HB3  ARG  69           HB1      ARG  69 129.934   1.544   3.025
  504    HG2  ARG  69           HG2      ARG  69 128.290   3.094   3.263
  505    HG3  ARG  69           HG1      ARG  69 129.062   3.243   4.841
  506    HD2  ARG  69           HD2      ARG  69 130.319   5.163   4.094
  507    HD3  ARG  69           HD1      ARG  69 129.685   4.982   2.457
  508    HE   ARG  69           HE       ARG  69 127.457   5.250   3.988
  509   HH11  ARG  69          HH11      ARG  69 130.369   7.166   3.601
  510   HH12  ARG  69          HH12      ARG  69 129.578   8.659   3.974
  511   HH21  ARG  69          HH21      ARG  69 126.426   7.222   4.473
  512   HH22  ARG  69          HH22      ARG  69 127.343   8.691   4.469
  513    H    TRP  70           HN       TRP  70 129.986   2.479   6.431
  514    HA   TRP  70           HA       TRP  70 130.080  -0.416   6.986
  515    HB2  TRP  70           HB2      TRP  70 130.294   1.861   8.968
  516    HB3  TRP  70           HB1      TRP  70 130.021   0.184   9.428
  517    HD1  TRP  70           HD1      TRP  70 132.730   2.537   8.157
  518    HE1  TRP  70           HE1      TRP  70 135.010   1.362   8.339
  519    HE3  TRP  70           HE3      TRP  70 131.128  -2.161   9.389
  520    HZ2  TRP  70           HZ2      TRP  70 136.001  -1.213   8.930
  521    HZ3  TRP  70           HZ3      TRP  70 132.809  -3.924   9.745
  522    HH2  TRP  70           HH2      TRP  70 135.194  -3.457   9.518
  523    H    GLU  71           HN       GLU  71 128.081   1.184   5.559
  524    HA   GLU  71           HA       GLU  71 125.750   0.434   7.153
  525    HB2  GLU  71           HB2      GLU  71 125.831   3.073   5.693
  526    HB3  GLU  71           HB1      GLU  71 124.624   2.505   6.837
  527    HG2  GLU  71           HG2      GLU  71 126.114   2.774   8.668
  528    HG3  GLU  71           HG1      GLU  71 127.478   3.065   7.590
  529    H    LYS  72           HN       LYS  72 124.155  -0.482   5.948
  530    HA   LYS  72           HA       LYS  72 124.699  -1.317   3.316
  531    HB2  LYS  72           HB2      LYS  72 121.998  -1.229   4.674
  532    HB3  LYS  72           HB1      LYS  72 122.444  -2.225   3.297
  533    HG2  LYS  72           HG2      LYS  72 122.753  -3.810   4.844
  534    HG3  LYS  72           HG1      LYS  72 124.303  -3.008   5.096
  535    HD2  LYS  72           HD2      LYS  72 123.690  -2.165   7.105
  536    HD3  LYS  72           HD1      LYS  72 122.023  -1.886   6.598
  537    HE2  LYS  72           HE2      LYS  72 123.094  -4.651   7.091
  538    HE3  LYS  72           HE1      LYS  72 122.446  -3.659   8.396
  539    HZ1  LYS  72           HZ1      LYS  72 120.627  -4.878   7.710
  540    HZ2  LYS  72           HZ2      LYS  72 121.039  -4.801   6.071
  541    HZ3  LYS  72           HZ3      LYS  72 120.417  -3.435   6.851
  542    HA   PRO  73           HA       PRO  73 123.479   2.579   1.389
  543    HB2  PRO  73           HB2      PRO  73 124.239   1.903  -1.127
  544    HB3  PRO  73           HB1      PRO  73 125.379   2.446   0.109
  545    HG2  PRO  73           HG2      PRO  73 124.744  -0.334  -0.797
  546    HG3  PRO  73           HG1      PRO  73 126.320   0.389  -0.427
  547    HD2  PRO  73           HD2      PRO  73 125.003  -1.225   1.309
  548    HD3  PRO  73           HD1      PRO  73 126.062   0.097   1.843
  549    H    ASP  74           HN       ASP  74 122.098   3.164  -0.485
  550    HA   ASP  74           HA       ASP  74 119.804   1.377  -0.605
  551    HB2  ASP  74           HB2      ASP  74 120.238   4.243  -1.449
  552    HB3  ASP  74           HB1      ASP  74 118.763   3.364  -1.830
  553    H    ASP  75           HN       ASP  75 120.136  -0.222  -2.060
  554    HA   ASP  75           HA       ASP  75 121.481   0.189  -4.558
  555    HB2  ASP  75           HB2      ASP  75 120.847  -2.168  -5.013
  556    HB3  ASP  75           HB1      ASP  75 121.629  -1.967  -3.449
  Start of MODEL   10
    1    H1   ASP   1           HT1      ASP   1 118.140 -10.833  10.941
    2    H2   ASP   1           HT2      ASP   1 116.760  -9.816  10.837
    3    H3   ASP   1           HT3      ASP   1 118.274  -9.278  10.233
    4    HA   ASP   1           HA       ASP   1 118.252 -10.948   8.565
    5    HB2  ASP   1           HB2      ASP   1 116.918 -12.540  10.034
    6    HB3  ASP   1           HB1      ASP   1 115.480 -11.647   9.553
    7    HA   PRO   2           HA       PRO   2 116.236  -7.297   6.793
    8    HB2  PRO   2           HB2      PRO   2 117.493  -7.449   4.387
    9    HB3  PRO   2           HB1      PRO   2 118.245  -6.754   5.827
   10    HG2  PRO   2           HG2      PRO   2 118.577  -9.481   4.643
   11    HG3  PRO   2           HG1      PRO   2 119.808  -8.395   5.313
   12    HD2  PRO   2           HD2      PRO   2 118.799 -10.494   6.697
   13    HD3  PRO   2           HD1      PRO   2 119.336  -8.997   7.485
   14    H    SER   3           HN       SER   3 114.129  -7.952   6.527
   15    HA   SER   3           HA       SER   3 113.503  -9.835   4.383
   16    HB2  SER   3           HB2      SER   3 111.104  -9.390   5.448
   17    HB3  SER   3           HB1      SER   3 112.241 -10.528   6.168
   18    HG   SER   3           HG       SER   3 111.176  -8.399   7.290
   19    H    LYS   4           HN       LYS   4 112.282  -6.709   5.563
   20    HA   LYS   4           HA       LYS   4 112.013  -5.794   2.803
   21    HB2  LYS   4           HB2      LYS   4 109.717  -5.489   4.738
   22    HB3  LYS   4           HB1      LYS   4 109.733  -5.133   3.017
   23    HG2  LYS   4           HG2      LYS   4 109.817  -7.450   2.461
   24    HG3  LYS   4           HG1      LYS   4 110.060  -7.899   4.150
   25    HD2  LYS   4           HD2      LYS   4 107.837  -6.983   4.688
   26    HD3  LYS   4           HD1      LYS   4 107.597  -6.607   2.981
   27    HE2  LYS   4           HE2      LYS   4 108.372  -9.387   3.575
   28    HE3  LYS   4           HE1      LYS   4 106.785  -8.901   4.166
   29    HZ1  LYS   4           HZ1      LYS   4 107.727  -9.225   1.427
   30    HZ2  LYS   4           HZ2      LYS   4 106.655  -7.948   1.704
   31    HZ3  LYS   4           HZ3      LYS   4 106.201  -9.531   2.090
   32    H    GLY   5           HN       GLY   5 110.817  -3.383   3.153
   33    HA2  GLY   5           HA2      GLY   5 111.060  -1.612   5.025
   34    HA3  GLY   5           HA1      GLY   5 112.767  -1.992   4.866
   35    H    ARG   6           HN       ARG   6 112.572  -2.347   1.946
   36    HA   ARG   6           HA       ARG   6 112.942   0.413   1.230
   37    HB2  ARG   6           HB2      ARG   6 113.418  -2.221  -0.050
   38    HB3  ARG   6           HB1      ARG   6 113.160  -0.862  -1.132
   39    HG2  ARG   6           HG2      ARG   6 115.205  -0.077  -0.774
   40    HG3  ARG   6           HG1      ARG   6 115.021  -0.193   0.977
   41    HD2  ARG   6           HD2      ARG   6 116.386  -1.943   1.006
   42    HD3  ARG   6           HD1      ARG   6 115.277  -2.830  -0.039
   43    HE   ARG   6           HE       ARG   6 116.696  -1.224  -1.736
   44   HH11  ARG   6          HH11      ARG   6 117.543  -3.662   0.634
   45   HH12  ARG   6          HH12      ARG   6 118.977  -4.150  -0.204
   46   HH21  ARG   6          HH21      ARG   6 118.586  -1.876  -2.831
   47   HH22  ARG   6          HH22      ARG   6 119.569  -3.137  -2.166
   48    H    TRP   7           HN       TRP   7 110.676   0.971   1.774
   49    HA   TRP   7           HA       TRP   7 108.849   0.424  -0.474
   50    HB2  TRP   7           HB2      TRP   7 108.218   1.040   2.419
   51    HB3  TRP   7           HB1      TRP   7 107.009   0.966   1.141
   52    HD1  TRP   7           HD1      TRP   7 109.095  -1.230   3.410
   53    HE1  TRP   7           HE1      TRP   7 108.380  -3.683   3.103
   54    HE3  TRP   7           HE3      TRP   7 106.077  -0.692  -0.682
   55    HZ2  TRP   7           HZ2      TRP   7 106.754  -5.192   1.355
   56    HZ3  TRP   7           HZ3      TRP   7 104.980  -2.689  -1.610
   57    HH2  TRP   7           HH2      TRP   7 105.313  -4.892  -0.611
   58    H    VAL   8           HN       VAL   8 107.556   2.132  -1.252
   59    HA   VAL   8           HA       VAL   8 108.484   4.837  -0.530
   60    HB   VAL   8           HB       VAL   8 107.577   4.150  -3.311
   61   HG11  VAL   8          HG11      VAL   8 109.115   6.384  -2.032
   62   HG12  VAL   8          HG12      VAL   8 107.646   6.460  -3.006
   63   HG13  VAL   8          HG13      VAL   8 109.193   6.094  -3.770
   64   HG21  VAL   8          HG21      VAL   8 109.367   2.625  -3.021
   65   HG22  VAL   8          HG22      VAL   8 110.346   3.824  -2.175
   66   HG23  VAL   8          HG23      VAL   8 110.028   4.003  -3.901
   67    H    GLU   9           HN       GLU   9 106.907   6.282  -0.062
   68    HA   GLU   9           HA       GLU   9 104.147   5.367  -0.229
   69    HB2  GLU   9           HB2      GLU   9 105.058   6.368   1.879
   70    HB3  GLU   9           HB1      GLU   9 105.204   7.903   1.033
   71    HG2  GLU   9           HG2      GLU   9 102.913   8.199   0.898
   72    HG3  GLU   9           HG1      GLU   9 102.576   6.485   1.122
   73    H    GLY  10           HN       GLY  10 102.684   6.086  -1.631
   74    HA2  GLY  10           HA2      GLY  10 103.256   8.557  -3.128
   75    HA3  GLY  10           HA1      GLY  10 102.833   7.085  -3.987
   76    H    ILE  11           HN       ILE  11 101.487   9.706  -3.885
   77    HA   ILE  11           HA       ILE  11  98.963   9.054  -2.548
   78    HB   ILE  11           HB       ILE  11  99.665  11.620  -3.972
   79   HG12  ILE  11          HG12      ILE  11 101.276  11.302  -2.183
   80   HG13  ILE  11          HG11      ILE  11 100.126  12.550  -1.718
   81   HG21  ILE  11          HG21      ILE  11  97.883  12.454  -2.302
   82   HG22  ILE  11          HG22      ILE  11  97.434  10.754  -2.174
   83   HG23  ILE  11          HG23      ILE  11  97.358  11.571  -3.736
   84   HD11  ILE  11          HD11      ILE  11 100.671   9.943  -0.512
   85   HD12  ILE  11          HD12      ILE  11  98.959  10.336  -0.668
   86   HD13  ILE  11          HD13      ILE  11 100.037  11.423   0.207
   87    H    THR  12           HN       THR  12  97.011   8.875  -3.639
   88    HA   THR  12           HA       THR  12  97.128   8.890  -6.578
   89    HB   THR  12           HB       THR  12  95.265   6.927  -5.448
   90    HG1  THR  12           HG1      THR  12  96.717   5.544  -4.652
   91   HG21  THR  12          HG21      THR  12  97.153   5.728  -7.152
   92   HG22  THR  12          HG22      THR  12  96.760   7.305  -7.835
   93   HG23  THR  12          HG23      THR  12  95.474   6.146  -7.495
   94    H    SER  13           HN       SER  13  94.975   9.031  -7.605
   95    HA   SER  13           HA       SER  13  93.547  11.247  -6.895
   96    HB2  SER  13           HB2      SER  13  92.013   9.019  -8.156
   97    HB3  SER  13           HB1      SER  13  92.075  10.727  -8.589
   98    HG   SER  13           HG       SER  13  93.584   8.652  -9.495
   99    H    GLU  14           HN       GLU  14  91.563  11.676  -5.909
  100    HA   GLU  14           HA       GLU  14  89.794  11.422  -4.488
  101    HB2  GLU  14           HB2      GLU  14  89.952   8.915  -5.467
  102    HB3  GLU  14           HB1      GLU  14  90.352   8.603  -3.783
  103    HG2  GLU  14           HG2      GLU  14  88.237   8.800  -3.166
  104    HG3  GLU  14           HG1      GLU  14  88.082  10.357  -3.979
  105    H    GLY  15           HN       GLY  15  92.530   9.387  -3.384
  106    HA2  GLY  15           HA2      GLY  15  93.786  10.727  -1.540
  107    HA3  GLY  15           HA1      GLY  15  92.242  10.575  -0.712
  108    H    TYR  16           HN       TYR  16  94.241   8.342  -2.638
  109    HA   TYR  16           HA       TYR  16  94.120   6.443  -0.386
  110    HB2  TYR  16           HB2      TYR  16  94.396   5.777  -3.325
  111    HB3  TYR  16           HB1      TYR  16  94.219   4.631  -2.002
  112    HD1  TYR  16           HD2      TYR  16  92.018   5.052  -0.523
  113    HD2  TYR  16           HD1      TYR  16  92.523   6.265  -4.572
  114    HE1  TYR  16           HE2      TYR  16  89.577   5.114  -0.806
  115    HE2  TYR  16           HE1      TYR  16  90.085   6.329  -4.863
  116    HH   TYR  16           HH       TYR  16  88.074   6.511  -3.557
  117    H    HIS  17           HN       HIS  17  95.994   5.636   0.390
  118    HA   HIS  17           HA       HIS  17  98.464   6.662  -0.806
  119    HB2  HIS  17           HB2      HIS  17  97.846   5.533   1.926
  120    HB3  HIS  17           HB1      HIS  17  99.483   5.885   1.385
  121    HD1  HIS  17           HD1      HIS  17  99.702   7.674   3.271
  122    HD2  HIS  17           HD2      HIS  17  96.746   8.476   0.461
  123    HE1  HIS  17           HE1      HIS  17  99.062  10.078   3.634
  124    HE2  HIS  17           HE2      HIS  17  97.337  10.566   1.864
  125    H    TYR  18           HN       TYR  18  99.561   5.384  -2.109
  126    HA   TYR  18           HA       TYR  18  99.379   2.474  -1.721
  127    HB2  TYR  18           HB2      TYR  18  99.703   2.157  -4.045
  128    HB3  TYR  18           HB1      TYR  18  98.520   3.449  -3.898
  129    HD1  TYR  18           HD1      TYR  18  99.325   5.849  -4.188
  130    HD2  TYR  18           HD2      TYR  18 101.688   2.474  -5.250
  131    HE1  TYR  18           HE1      TYR  18 100.704   7.278  -5.635
  132    HE2  TYR  18           HE2      TYR  18 103.076   3.894  -6.700
  133    HH   TYR  18           HH       TYR  18 102.271   6.660  -7.879
  134    H    TYR  19           HN       TYR  19 101.276   1.203  -1.956
  135    HA   TYR  19           HA       TYR  19 103.778   2.726  -1.634
  136    HB2  TYR  19           HB2      TYR  19 102.953   0.200  -0.187
  137    HB3  TYR  19           HB1      TYR  19 104.539   0.955  -0.070
  138    HD1  TYR  19           HD1      TYR  19 104.411   3.560   0.571
  139    HD2  TYR  19           HD2      TYR  19 101.447   0.654   1.506
  140    HE1  TYR  19           HE1      TYR  19 103.606   4.979   2.408
  141    HE2  TYR  19           HE2      TYR  19 100.636   2.069   3.348
  142    HH   TYR  19           HH       TYR  19 100.828   4.868   3.741
  143    H    TYR  20           HN       TYR  20 105.678   1.791  -2.466
  144    HA   TYR  20           HA       TYR  20 105.259  -0.487  -4.286
  145    HB2  TYR  20           HB2      TYR  20 105.361   1.563  -5.605
  146    HB3  TYR  20           HB1      TYR  20 106.871   2.017  -4.824
  147    HD1  TYR  20           HD1      TYR  20 108.958   0.853  -5.379
  148    HD2  TYR  20           HD2      TYR  20 105.312  -0.101  -7.356
  149    HE1  TYR  20           HE1      TYR  20 110.221  -0.327  -7.125
  150    HE2  TYR  20           HE2      TYR  20 106.566  -1.285  -9.107
  151    HH   TYR  20           HH       TYR  20 108.706  -2.341  -9.451
  152    H    ASP  21           HN       ASP  21 106.978  -1.901  -4.574
  153    HA   ASP  21           HA       ASP  21 109.190  -1.617  -2.643
  154    HB2  ASP  21           HB2      ASP  21 107.528  -3.419  -2.101
  155    HB3  ASP  21           HB1      ASP  21 107.963  -4.209  -3.611
  156    H    LEU  22           HN       LEU  22 111.138  -1.446  -3.547
  157    HA   LEU  22           HA       LEU  22 111.474  -1.949  -6.371
  158    HB2  LEU  22           HB2      LEU  22 113.885  -1.236  -5.845
  159    HB3  LEU  22           HB1      LEU  22 112.613  -0.038  -5.736
  160    HG   LEU  22           HG       LEU  22 113.230  -1.421  -3.204
  161   HD11  LEU  22          HD11      LEU  22 115.272  -0.196  -2.792
  162   HD12  LEU  22          HD12      LEU  22 115.213   0.504  -4.410
  163   HD13  LEU  22          HD13      LEU  22 115.472  -1.229  -4.207
  164   HD21  LEU  22          HD21      LEU  22 111.819   0.781  -3.929
  165   HD22  LEU  22          HD22      LEU  22 113.350   1.506  -3.440
  166   HD23  LEU  22          HD23      LEU  22 112.455   0.492  -2.309
  167    H    ILE  23           HN       ILE  23 112.223  -3.584  -3.393
  168    HA   ILE  23           HA       ILE  23 114.300  -5.259  -4.231
  169    HB   ILE  23           HB       ILE  23 112.097  -5.975  -2.289
  170   HG12  ILE  23          HG12      ILE  23 114.740  -5.014  -1.337
  171   HG13  ILE  23          HG11      ILE  23 113.672  -3.802  -2.036
  172   HG21  ILE  23          HG21      ILE  23 114.828  -7.112  -2.803
  173   HG22  ILE  23          HG22      ILE  23 113.273  -7.943  -2.789
  174   HG23  ILE  23          HG23      ILE  23 113.976  -7.362  -1.280
  175   HD11  ILE  23          HD11      ILE  23 112.464  -5.612  -0.049
  176   HD12  ILE  23          HD12      ILE  23 112.233  -3.883  -0.308
  177   HD13  ILE  23          HD13      ILE  23 113.660  -4.462   0.549
  178    H    SER  24           HN       SER  24 110.779  -5.787  -4.323
  179    HA   SER  24           HA       SER  24 111.198  -8.144  -6.019
  180    HB2  SER  24           HB2      SER  24 108.564  -7.244  -4.849
  181    HB3  SER  24           HB1      SER  24 109.003  -8.844  -5.445
  182    HG   SER  24           HG       SER  24 109.741  -7.574  -3.045
  183    H    GLY  25           HN       GLY  25 109.664  -4.966  -5.993
  184    HA2  GLY  25           HA2      GLY  25 109.278  -3.626  -7.878
  185    HA3  GLY  25           HA1      GLY  25 109.531  -5.032  -8.902
  186    H    ALA  26           HN       ALA  26 107.282  -4.345  -6.213
  187    HA   ALA  26           HA       ALA  26 105.044  -4.738  -8.070
  188    HB1  ALA  26           HB1      ALA  26 105.542  -6.272  -5.539
  189    HB2  ALA  26           HB2      ALA  26 105.181  -6.884  -7.154
  190    HB3  ALA  26           HB3      ALA  26 103.922  -6.088  -6.210
  191    H    SER  27           HN       SER  27 103.022  -3.877  -7.359
  192    HA   SER  27           HA       SER  27 103.348  -1.541  -5.644
  193    HB2  SER  27           HB2      SER  27 100.781  -1.380  -6.539
  194    HB3  SER  27           HB1      SER  27 102.168  -0.723  -7.406
  195    HG   SER  27           HG       SER  27 100.777  -3.138  -7.855
  196    H    GLN  28           HN       GLN  28 102.151  -1.144  -3.809
  197    HA   GLN  28           HA       GLN  28 100.396  -3.288  -2.823
  198    HB2  GLN  28           HB2      GLN  28 102.916  -3.061  -1.901
  199    HB3  GLN  28           HB1      GLN  28 102.118  -1.914  -0.835
  200    HG2  GLN  28           HG2      GLN  28 100.627  -3.607  -0.028
  201    HG3  GLN  28           HG1      GLN  28 101.237  -4.767  -1.208
  202   HE21  GLN  28          HE21      GLN  28 102.636  -2.547   1.194
  203   HE22  GLN  28          HE22      GLN  28 103.695  -3.713   1.902
  204    H    TRP  29           HN       TRP  29  99.152  -2.534  -0.835
  205    HA   TRP  29           HA       TRP  29  98.518   0.336  -1.019
  206    HB2  TRP  29           HB2      TRP  29  96.552  -1.952  -0.784
  207    HB3  TRP  29           HB1      TRP  29  96.127  -0.248  -0.647
  208    HD1  TRP  29           HD1      TRP  29  96.752  -2.958  -3.182
  209    HE1  TRP  29           HE1      TRP  29  96.414  -2.021  -5.554
  210    HE3  TRP  29           HE3      TRP  29  96.444   2.020  -2.056
  211    HZ2  TRP  29           HZ2      TRP  29  96.061   0.494  -6.787
  212    HZ3  TRP  29           HZ3      TRP  29  96.105   3.624  -3.889
  213    HH2  TRP  29           HH2      TRP  29  95.919   2.876  -6.206
  214    H    GLU  30           HN       GLU  30  98.203  -2.600   0.983
  215    HA   GLU  30           HA       GLU  30  97.689  -1.138   3.389
  216    HB2  GLU  30           HB2      GLU  30  98.301  -4.005   2.743
  217    HB3  GLU  30           HB1      GLU  30  98.330  -3.458   4.413
  218    HG2  GLU  30           HG2      GLU  30  96.176  -4.135   4.307
  219    HG3  GLU  30           HG1      GLU  30  95.960  -2.481   3.742
  220    H    LYS  31           HN       LYS  31  99.123  -0.158   4.679
  221    HA   LYS  31           HA       LYS  31 101.850   0.038   4.055
  222    HB2  LYS  31           HB2      LYS  31 100.545   1.707   5.355
  223    HB3  LYS  31           HB1      LYS  31 100.535   0.597   6.718
  224    HG2  LYS  31           HG2      LYS  31 103.056   0.678   6.641
  225    HG3  LYS  31           HG1      LYS  31 102.887   2.014   5.500
  226    HD2  LYS  31           HD2      LYS  31 101.593   1.991   8.220
  227    HD3  LYS  31           HD1      LYS  31 103.195   2.668   7.917
  228    HE2  LYS  31           HE2      LYS  31 102.367   4.502   6.912
  229    HE3  LYS  31           HE1      LYS  31 101.113   3.593   6.068
  230    HZ1  LYS  31           HZ1      LYS  31  99.973   3.471   8.315
  231    HZ2  LYS  31           HZ2      LYS  31  99.981   4.980   7.551
  232    HZ3  LYS  31           HZ3      LYS  31 101.052   4.672   8.823
  233    HA   PRO  32           HA       PRO  32 103.597  -3.706   5.668
  234    HB2  PRO  32           HB2      PRO  32 105.999  -2.061   6.234
  235    HB3  PRO  32           HB1      PRO  32 105.837  -3.508   5.233
  236    HG2  PRO  32           HG2      PRO  32 106.157  -1.102   4.130
  237    HG3  PRO  32           HG1      PRO  32 105.090  -2.314   3.396
  238    HD2  PRO  32           HD2      PRO  32 104.385   0.091   5.035
  239    HD3  PRO  32           HD1      PRO  32 103.582  -0.565   3.593
  240    H    GLU  33           HN       GLU  33 105.103  -4.326   7.621
  241    HA   GLU  33           HA       GLU  33 103.820  -3.226  10.002
  242    HB2  GLU  33           HB2      GLU  33 105.466  -5.715   9.534
  243    HB3  GLU  33           HB1      GLU  33 104.917  -5.211  11.127
  244    HG2  GLU  33           HG2      GLU  33 102.646  -5.502  10.538
  245    HG3  GLU  33           HG1      GLU  33 103.041  -5.680   8.830
  246    H    GLY  34           HN       GLY  34 105.692  -1.502   8.819
  247    HA2  GLY  34           HA2      GLY  34 107.210  -0.651  10.950
  248    HA3  GLY  34           HA1      GLY  34 108.261  -1.738  10.056
  249    H    PHE  35           HN       PHE  35 107.467  -1.134   7.436
  250    HA   PHE  35           HA       PHE  35 107.740   0.354   5.735
  251    HB2  PHE  35           HB2      PHE  35 106.335   1.827   7.410
  252    HB3  PHE  35           HB1      PHE  35 107.854   2.697   7.590
  253    HD1  PHE  35           HD1      PHE  35 108.893   2.518   4.805
  254    HD2  PHE  35           HD2      PHE  35 104.989   3.338   6.282
  255    HE1  PHE  35           HE1      PHE  35 108.396   3.796   2.766
  256    HE2  PHE  35           HE2      PHE  35 104.483   4.618   4.244
  257    HZ   PHE  35           HZ       PHE  35 106.188   4.849   2.481
  258    H    GLN  36           HN       GLN  36 109.507   1.919   8.434
  259    HA   GLN  36           HA       GLN  36 111.991   1.503   6.902
  260    HB2  GLN  36           HB2      GLN  36 110.963   3.970   8.259
  261    HB3  GLN  36           HB1      GLN  36 112.697   3.704   8.144
  262    HG2  GLN  36           HG2      GLN  36 111.767   3.216   5.582
  263    HG3  GLN  36           HG1      GLN  36 110.819   4.595   6.135
  264   HE21  GLN  36          HE21      GLN  36 114.112   3.387   5.758
  265   HE22  GLN  36          HE22      GLN  36 114.851   4.937   5.569
  266    H    GLY  37           HN       GLY  37 113.550   0.456   7.973
  267    HA2  GLY  37           HA2      GLY  37 114.098   0.806  10.731
  268    HA3  GLY  37           HA1      GLY  37 113.174  -0.669  10.494
  269    H    ASP  38           HN       ASP  38 116.103   1.021   9.417
  270    HA   ASP  38           HA       ASP  38 117.295  -1.543   8.652
  271    HB2  ASP  38           HB2      ASP  38 118.465   1.217   8.266
  272    HB3  ASP  38           HB1      ASP  38 118.960  -0.277   7.477
  273    H    LEU  39           HN       LEU  39 118.617  -2.575   9.989
  274    HA   LEU  39           HA       LEU  39 119.421  -1.389  12.475
  275    HB2  LEU  39           HB2      LEU  39 120.127  -4.056  11.249
  276    HB3  LEU  39           HB1      LEU  39 120.524  -3.569  12.885
  277    HG   LEU  39           HG       LEU  39 117.680  -3.684  11.909
  278   HD11  LEU  39          HD11      LEU  39 117.851  -5.898  13.379
  279   HD12  LEU  39          HD12      LEU  39 119.488  -5.882  12.722
  280   HD13  LEU  39          HD13      LEU  39 118.101  -5.893  11.633
  281   HD21  LEU  39          HD21      LEU  39 118.161  -2.395  13.952
  282   HD22  LEU  39          HD22      LEU  39 118.883  -3.834  14.671
  283   HD23  LEU  39          HD23      LEU  39 117.165  -3.815  14.271
  284    H    LYS  40           HN       LYS  40 120.774   0.332  11.904
  285    HA   LYS  40           HA       LYS  40 123.278  -0.333  10.539
  286    HB2  LYS  40           HB2      LYS  40 121.814   2.218  11.096
  287    HB3  LYS  40           HB1      LYS  40 123.548   2.271  10.815
  288    HG2  LYS  40           HG2      LYS  40 121.984   0.734   8.848
  289    HG3  LYS  40           HG1      LYS  40 121.701   2.476   8.874
  290    HD2  LYS  40           HD2      LYS  40 123.455   1.976   7.293
  291    HD3  LYS  40           HD1      LYS  40 124.141   2.838   8.671
  292    HE2  LYS  40           HE2      LYS  40 124.822   0.637   9.622
  293    HE3  LYS  40           HE1      LYS  40 124.268  -0.128   8.134
  294    HZ1  LYS  40           HZ1      LYS  40 126.026   0.660   6.966
  295    HZ2  LYS  40           HZ2      LYS  40 126.762   0.619   8.487
  296    HZ3  LYS  40           HZ3      LYS  40 126.166   2.080   7.878
  297    H    LYS  41           HN       LYS  41 122.818  -1.295  13.222
  298    HA   LYS  41           HA       LYS  41 124.968   0.154  14.617
  299    HB2  LYS  41           HB2      LYS  41 123.886  -0.408  16.756
  300    HB3  LYS  41           HB1      LYS  41 122.872   0.614  15.749
  301    HG2  LYS  41           HG2      LYS  41 121.982  -1.831  15.019
  302    HG3  LYS  41           HG1      LYS  41 122.444  -2.136  16.694
  303    HD2  LYS  41           HD2      LYS  41 121.022   0.365  16.452
  304    HD3  LYS  41           HD1      LYS  41 120.080  -0.963  15.773
  305    HE2  LYS  41           HE2      LYS  41 119.480  -0.833  18.054
  306    HE3  LYS  41           HE1      LYS  41 120.550  -2.226  17.909
  307    HZ1  LYS  41           HZ1      LYS  41 120.971   0.307  19.284
  308    HZ2  LYS  41           HZ2      LYS  41 122.319  -0.338  18.491
  309    HZ3  LYS  41           HZ3      LYS  41 121.523  -1.243  19.677
  310    H    THR  42           HN       THR  42 125.170  -2.134  12.837
  311    HA   THR  42           HA       THR  42 125.643  -4.431  14.530
  312    HB   THR  42           HB       THR  42 126.232  -4.044  11.589
  313    HG1  THR  42           HG1      THR  42 124.246  -4.805  11.213
  314   HG21  THR  42          HG21      THR  42 127.396  -5.960  12.769
  315   HG22  THR  42          HG22      THR  42 126.402  -6.367  11.370
  316   HG23  THR  42          HG23      THR  42 125.790  -6.650  13.000
  317    H    ALA  43           HN       ALA  43 127.553  -2.033  12.779
  318    HA   ALA  43           HA       ALA  43 129.850  -2.671  14.446
  319    HB1  ALA  43           HB1      ALA  43 131.261  -3.430  12.851
  320    HB2  ALA  43           HB2      ALA  43 130.545  -2.427  11.589
  321    HB3  ALA  43           HB3      ALA  43 129.760  -3.931  12.071
  322    H    VAL  44           HN       VAL  44 130.778  -0.844  15.114
  323    HA   VAL  44           HA       VAL  44 130.031   1.668  13.857
  324    HB   VAL  44           HB       VAL  44 131.782   1.270  16.290
  325   HG11  VAL  44          HG11      VAL  44 131.433   3.523  14.831
  326   HG12  VAL  44          HG12      VAL  44 131.777   3.504  16.560
  327   HG13  VAL  44          HG13      VAL  44 130.116   3.677  15.993
  328   HG21  VAL  44          HG21      VAL  44 129.988   0.992  17.617
  329   HG22  VAL  44          HG22      VAL  44 129.177   0.476  16.140
  330   HG23  VAL  44          HG23      VAL  44 129.009   2.138  16.703
  331    H    LYS  45           HN       LYS  45 131.330   0.758  11.923
  332    HA   LYS  45           HA       LYS  45 133.756   2.250  11.738
  333    HB2  LYS  45           HB2      LYS  45 134.060  -0.337  12.719
  334    HB3  LYS  45           HB1      LYS  45 134.453  -0.483  11.012
  335    HG2  LYS  45           HG2      LYS  45 136.345   0.740  11.200
  336    HG3  LYS  45           HG1      LYS  45 135.675   1.786  12.455
  337    HD2  LYS  45           HD2      LYS  45 135.771  -0.480  13.845
  338    HD3  LYS  45           HD1      LYS  45 137.061  -0.829  12.693
  339    HE2  LYS  45           HE2      LYS  45 137.715   1.691  13.401
  340    HE3  LYS  45           HE1      LYS  45 136.951   1.137  14.890
  341    HZ1  LYS  45           HZ1      LYS  45 138.551  -0.453  15.227
  342    HZ2  LYS  45           HZ2      LYS  45 139.477   0.765  14.506
  343    HZ3  LYS  45           HZ3      LYS  45 138.970  -0.564  13.591
  344    H    THR  46           HN       THR  46 134.681   2.193   9.555
  345    HA   THR  46           HA       THR  46 132.586   1.854   7.571
  346    HB   THR  46           HB       THR  46 135.364   2.874   7.025
  347    HG1  THR  46           HG1      THR  46 133.184   4.337   8.102
  348   HG21  THR  46          HG21      THR  46 133.441   4.429   5.742
  349   HG22  THR  46          HG22      THR  46 132.921   2.757   5.528
  350   HG23  THR  46          HG23      THR  46 134.535   3.252   5.016
  351    H    VAL  47           HN       VAL  47 132.472  -0.409   7.405
  352    HA   VAL  47           HA       VAL  47 134.849  -1.809   6.418
  353    HB   VAL  47           HB       VAL  47 133.529  -2.792   8.286
  354   HG11  VAL  47          HG11      VAL  47 131.423  -4.023   6.879
  355   HG12  VAL  47          HG12      VAL  47 131.350  -2.301   6.507
  356   HG13  VAL  47          HG13      VAL  47 131.317  -2.842   8.184
  357   HG21  VAL  47          HG21      VAL  47 134.750  -4.050   6.195
  358   HG22  VAL  47          HG22      VAL  47 133.169  -4.828   6.215
  359   HG23  VAL  47          HG23      VAL  47 134.177  -4.845   7.662
  360    H    TRP  48           HN       TRP  48 133.172   0.120   4.826
  361    HA   TRP  48           HA       TRP  48 132.390  -1.693   2.640
  362    HB2  TRP  48           HB2      TRP  48 131.370   1.095   3.229
  363    HB3  TRP  48           HB1      TRP  48 130.881   0.099   1.864
  364    HD1  TRP  48           HD1      TRP  48 130.835  -0.195   5.745
  365    HE1  TRP  48           HE1      TRP  48 128.651  -1.378   6.417
  366    HE3  TRP  48           HE3      TRP  48 128.924  -1.081   1.084
  367    HZ2  TRP  48           HZ2      TRP  48 126.412  -2.532   5.139
  368    HZ3  TRP  48           HZ3      TRP  48 126.756  -2.231   0.897
  369    HH2  TRP  48           HH2      TRP  48 125.528  -2.941   2.884
  370    H    VAL  49           HN       VAL  49 133.203  -1.344   0.617
  371    HA   VAL  49           HA       VAL  49 135.432   0.544   0.428
  372    HB   VAL  49           HB       VAL  49 135.882  -1.799  -0.177
  373   HG11  VAL  49          HG11      VAL  49 133.724  -2.465  -1.019
  374   HG12  VAL  49          HG12      VAL  49 134.939  -2.718  -2.271
  375   HG13  VAL  49          HG13      VAL  49 133.856  -1.329  -2.361
  376   HG21  VAL  49          HG21      VAL  49 136.941   0.283  -1.329
  377   HG22  VAL  49          HG22      VAL  49 136.041  -0.268  -2.742
  378   HG23  VAL  49          HG23      VAL  49 137.237  -1.325  -1.990
  379    H    GLU  50           HN       GLU  50 135.604   2.090  -1.213
  380    HA   GLU  50           HA       GLU  50 133.048   2.894  -2.384
  381    HB2  GLU  50           HB2      GLU  50 134.445   4.534  -1.114
  382    HB3  GLU  50           HB1      GLU  50 135.685   4.379  -2.350
  383    HG2  GLU  50           HG2      GLU  50 134.245   5.323  -4.007
  384    HG3  GLU  50           HG1      GLU  50 132.877   5.307  -2.897
  385    H    GLY  51           HN       GLY  51 132.558   2.454  -4.425
  386    HA2  GLY  51           HA2      GLY  51 134.759   1.934  -6.328
  387    HA3  GLY  51           HA1      GLY  51 133.235   1.061  -6.359
  388    H    LEU  52           HN       LEU  52 134.464   2.582  -8.523
  389    HA   LEU  52           HA       LEU  52 132.504   4.760  -8.811
  390    HB2  LEU  52           HB2      LEU  52 135.045   5.193  -8.979
  391    HB3  LEU  52           HB1      LEU  52 134.920   4.435 -10.556
  392    HG   LEU  52           HG       LEU  52 132.984   6.213 -10.879
  393   HD11  LEU  52          HD11      LEU  52 134.816   7.780  -9.103
  394   HD12  LEU  52          HD12      LEU  52 133.393   6.966  -8.454
  395   HD13  LEU  52          HD13      LEU  52 133.211   8.202  -9.699
  396   HD21  LEU  52          HD21      LEU  52 134.578   6.436 -12.463
  397   HD22  LEU  52          HD22      LEU  52 135.903   6.311 -11.307
  398   HD23  LEU  52          HD23      LEU  52 135.034   7.835 -11.492
  399    H    SER  53           HN       SER  53 131.130   4.836 -10.498
  400    HA   SER  53           HA       SER  53 131.194   2.605 -12.419
  401    HB2  SER  53           HB2      SER  53 129.031   3.613 -10.688
  402    HB3  SER  53           HB1      SER  53 128.563   3.335 -12.365
  403    HG   SER  53           HG       SER  53 129.271   1.209 -12.170
  404    H    GLU  54           HN       GLU  54 130.414   3.047 -14.543
  405    HA   GLU  54           HA       GLU  54 131.345   5.281 -15.797
  406    HB2  GLU  54           HB2      GLU  54 130.047   3.036 -16.623
  407    HB3  GLU  54           HB1      GLU  54 128.836   4.266 -16.963
  408    HG2  GLU  54           HG2      GLU  54 129.895   4.778 -18.828
  409    HG3  GLU  54           HG1      GLU  54 131.302   5.272 -17.889
  410    H    ASP  55           HN       ASP  55 130.423   7.168 -16.684
  411    HA   ASP  55           HA       ASP  55 129.028   8.968 -16.843
  412    HB2  ASP  55           HB2      ASP  55 127.136   7.554 -14.956
  413    HB3  ASP  55           HB1      ASP  55 126.781   8.952 -15.961
  414    H    GLY  56           HN       GLY  56 129.324   7.549 -13.583
  415    HA2  GLY  56           HA2      GLY  56 130.859   8.992 -12.163
  416    HA3  GLY  56           HA1      GLY  56 129.706  10.272 -12.515
  417    H    PHE  57           HN       PHE  57 129.263   6.843 -11.627
  418    HA   PHE  57           HA       PHE  57 127.611   7.759  -9.360
  419    HB2  PHE  57           HB2      PHE  57 127.386   5.091 -10.766
  420    HB3  PHE  57           HB1      PHE  57 126.284   5.762  -9.571
  421    HD1  PHE  57           HD2      PHE  57 125.565   8.335 -10.396
  422    HD2  PHE  57           HD1      PHE  57 126.465   4.973 -12.846
  423    HE1  PHE  57           HE2      PHE  57 124.199   9.291 -12.205
  424    HE2  PHE  57           HE1      PHE  57 125.102   5.923 -14.659
  425    HZ   PHE  57           HZ       PHE  57 123.965   8.084 -14.340
  426    H    THR  58           HN       THR  58 128.216   7.166  -7.360
  427    HA   THR  58           HA       THR  58 130.526   5.378  -7.130
  428    HB   THR  58           HB       THR  58 129.359   7.159  -4.987
  429    HG1  THR  58           HG1      THR  58 130.399   8.768  -5.836
  430   HG21  THR  58          HG21      THR  58 131.611   5.333  -5.076
  431   HG22  THR  58          HG22      THR  58 130.834   6.111  -3.699
  432   HG23  THR  58          HG23      THR  58 132.075   6.970  -4.611
  433    H    TYR  59           HN       TYR  59 130.250   3.359  -6.523
  434    HA   TYR  59           HA       TYR  59 127.855   2.642  -4.968
  435    HB2  TYR  59           HB2      TYR  59 127.858   0.493  -6.005
  436    HB3  TYR  59           HB1      TYR  59 128.040   1.678  -7.290
  437    HD1  TYR  59           HD1      TYR  59 130.218   1.943  -8.433
  438    HD2  TYR  59           HD2      TYR  59 129.580  -1.094  -5.521
  439    HE1  TYR  59           HE1      TYR  59 132.224   0.765  -9.229
  440    HE2  TYR  59           HE2      TYR  59 131.584  -2.278  -6.307
  441    HH   TYR  59           HH       TYR  59 133.923  -0.939  -8.118
  442    H    TYR  60           HN       TYR  60 128.067   1.257  -3.186
  443    HA   TYR  60           HA       TYR  60 130.841   0.831  -2.275
  444    HB2  TYR  60           HB2      TYR  60 128.414   1.475  -0.584
  445    HB3  TYR  60           HB1      TYR  60 130.030   1.146   0.034
  446    HD1  TYR  60           HD2      TYR  60 131.887   2.754  -0.479
  447    HD2  TYR  60           HD1      TYR  60 127.823   3.635  -1.378
  448    HE1  TYR  60           HE2      TYR  60 132.449   5.141  -0.666
  449    HE2  TYR  60           HE1      TYR  60 128.375   6.020  -1.571
  450    HH   TYR  60           HH       TYR  60 130.933   7.420  -0.363
  451    H    TYR  61           HN       TYR  61 131.361  -1.120  -1.339
  452    HA   TYR  61           HA       TYR  61 129.254  -3.186  -1.354
  453    HB2  TYR  61           HB2      TYR  61 130.812  -3.528  -3.202
  454    HB3  TYR  61           HB1      TYR  61 132.175  -3.472  -2.092
  455    HD1  TYR  61           HD2      TYR  61 129.235  -5.460  -3.126
  456    HD2  TYR  61           HD1      TYR  61 132.835  -5.400  -0.859
  457    HE1  TYR  61           HE2      TYR  61 129.085  -7.897  -2.834
  458    HE2  TYR  61           HE1      TYR  61 132.696  -7.836  -0.561
  459    HH   TYR  61           HH       TYR  61 131.668  -9.773  -1.660
  460    H    ASN  62           HN       ASN  62 129.373  -4.828   0.240
  461    HA   ASN  62           HA       ASN  62 131.023  -4.113   2.577
  462    HB2  ASN  62           HB2      ASN  62 128.525  -3.875   2.823
  463    HB3  ASN  62           HB1      ASN  62 128.405  -5.619   2.625
  464   HD21  ASN  62          HD21      ASN  62 127.340  -4.968   4.818
  465   HD22  ASN  62          HD22      ASN  62 128.363  -5.166   6.196
  466    H    THR  63           HN       THR  63 132.418  -5.575   3.350
  467    HA   THR  63           HA       THR  63 132.687  -8.116   1.998
  468    HB   THR  63           HB       THR  63 134.698  -8.373   3.463
  469    HG1  THR  63           HG1      THR  63 134.096  -7.173   5.241
  470   HG21  THR  63          HG21      THR  63 134.324  -6.116   1.605
  471   HG22  THR  63          HG22      THR  63 135.492  -7.437   1.578
  472   HG23  THR  63          HG23      THR  63 135.746  -6.058   2.646
  473    H    GLU  64           HN       GLU  64 131.416  -6.951   5.022
  474    HA   GLU  64           HA       GLU  64 131.586  -9.232   6.604
  475    HB2  GLU  64           HB2      GLU  64 130.858  -6.998   7.391
  476    HB3  GLU  64           HB1      GLU  64 129.334  -7.217   6.544
  477    HG2  GLU  64           HG2      GLU  64 128.544  -8.728   8.059
  478    HG3  GLU  64           HG1      GLU  64 130.155  -9.278   8.520
  479    H    THR  65           HN       THR  65 128.711  -8.206   4.729
  480    HA   THR  65           HA       THR  65 127.707 -10.949   4.829
  481    HB   THR  65           HB       THR  65 125.630  -9.974   3.866
  482    HG1  THR  65           HG1      THR  65 126.779  -7.432   4.283
  483   HG21  THR  65          HG21      THR  65 124.905  -8.717   5.784
  484   HG22  THR  65          HG22      THR  65 126.576  -8.459   6.286
  485   HG23  THR  65          HG23      THR  65 125.889 -10.084   6.306
  486    H    GLY  66           HN       GLY  66 128.471  -8.447   2.419
  487    HA2  GLY  66           HA2      GLY  66 129.626  -8.973   0.395
  488    HA3  GLY  66           HA1      GLY  66 128.950 -10.592   0.467
  489    H    GLU  67           HN       GLU  67 127.599  -7.285   0.515
  490    HA   GLU  67           HA       GLU  67 125.980  -7.988  -1.833
  491    HB2  GLU  67           HB2      GLU  67 124.751  -8.133   0.451
  492    HB3  GLU  67           HB1      GLU  67 124.806  -6.377   0.418
  493    HG2  GLU  67           HG2      GLU  67 123.622  -6.423  -1.754
  494    HG3  GLU  67           HG1      GLU  67 123.494  -8.175  -1.608
  495    H    SER  68           HN       SER  68 125.925  -6.453  -3.368
  496    HA   SER  68           HA       SER  68 127.556  -4.130  -3.089
  497    HB2  SER  68           HB2      SER  68 126.975  -3.648  -5.392
  498    HB3  SER  68           HB1      SER  68 127.286  -5.375  -5.235
  499    HG   SER  68           HG       SER  68 125.148  -4.258  -6.220
  500    H    ARG  69           HN       ARG  69 126.941  -1.945  -3.153
  501    HA   ARG  69           HA       ARG  69 124.111  -1.366  -2.616
  502    HB2  ARG  69           HB2      ARG  69 125.725  -1.505  -0.550
  503    HB3  ARG  69           HB1      ARG  69 126.250   0.080  -1.098
  504    HG2  ARG  69           HG2      ARG  69 124.620   0.563   0.471
  505    HG3  ARG  69           HG1      ARG  69 123.754   0.690  -1.059
  506    HD2  ARG  69           HD2      ARG  69 122.266  -0.721  -0.195
  507    HD3  ARG  69           HD1      ARG  69 123.490  -1.977  -0.375
  508    HE   ARG  69           HE       ARG  69 124.099  -0.900   2.018
  509   HH11  ARG  69          HH11      ARG  69 121.094  -2.095   0.671
  510   HH12  ARG  69          HH12      ARG  69 120.451  -2.567   2.207
  511   HH21  ARG  69          HH21      ARG  69 123.244  -1.530   4.039
  512   HH22  ARG  69          HH22      ARG  69 121.669  -2.246   4.117
  513    H    TRP  70           HN       TRP  70 123.505   0.873  -2.977
  514    HA   TRP  70           HA       TRP  70 125.349   2.323  -4.761
  515    HB2  TRP  70           HB2      TRP  70 122.377   1.881  -5.107
  516    HB3  TRP  70           HB1      TRP  70 123.293   3.075  -6.022
  517    HD1  TRP  70           HD1      TRP  70 122.675  -0.669  -5.761
  518    HE1  TRP  70           HE1      TRP  70 123.728  -1.836  -7.798
  519    HE3  TRP  70           HE3      TRP  70 125.240   3.291  -7.733
  520    HZ2  TRP  70           HZ2      TRP  70 125.421  -1.169  -9.954
  521    HZ3  TRP  70           HZ3      TRP  70 126.552   2.941  -9.785
  522    HH2  TRP  70           HH2      TRP  70 126.640   0.756 -10.871
  523    H    GLU  71           HN       GLU  71 124.834   2.613  -1.895
  524    HA   GLU  71           HA       GLU  71 124.210   5.458  -1.880
  525    HB2  GLU  71           HB2      GLU  71 122.632   3.348  -0.481
  526    HB3  GLU  71           HB1      GLU  71 122.926   4.852   0.380
  527    HG2  GLU  71           HG2      GLU  71 122.088   5.833  -1.975
  528    HG3  GLU  71           HG1      GLU  71 121.214   4.302  -1.955
  529    H    LYS  72           HN       LYS  72 124.880   6.483   0.204
  530    HA   LYS  72           HA       LYS  72 127.290   5.149   1.210
  531    HB2  LYS  72           HB2      LYS  72 127.212   7.557   0.228
  532    HB3  LYS  72           HB1      LYS  72 126.551   8.001   1.795
  533    HG2  LYS  72           HG2      LYS  72 128.636   6.747   2.723
  534    HG3  LYS  72           HG1      LYS  72 129.276   7.010   1.100
  535    HD2  LYS  72           HD2      LYS  72 129.559   9.217   1.438
  536    HD3  LYS  72           HD1      LYS  72 128.039   9.376   2.320
  537    HE2  LYS  72           HE2      LYS  72 129.227   8.197   4.244
  538    HE3  LYS  72           HE1      LYS  72 130.721   8.496   3.357
  539    HZ1  LYS  72           HZ1      LYS  72 130.359  10.832   3.485
  540    HZ2  LYS  72           HZ2      LYS  72 130.178  10.207   5.046
  541    HZ3  LYS  72           HZ3      LYS  72 128.812  10.630   4.141
  542    HA   PRO  73           HA       PRO  73 124.638   4.492   4.864
  543    HB2  PRO  73           HB2      PRO  73 125.961   2.356   5.817
  544    HB3  PRO  73           HB1      PRO  73 124.840   2.230   4.457
  545    HG2  PRO  73           HG2      PRO  73 127.831   2.393   4.435
  546    HG3  PRO  73           HG1      PRO  73 126.764   1.337   3.492
  547    HD2  PRO  73           HD2      PRO  73 127.869   3.622   2.498
  548    HD3  PRO  73           HD1      PRO  73 126.316   2.967   1.944
  549    H    ASP  74           HN       ASP  74 124.893   5.695   6.642
  550    HA   ASP  74           HA       ASP  74 127.125   5.499   8.366
  551    HB2  ASP  74           HB2      ASP  74 127.767   7.074   6.285
  552    HB3  ASP  74           HB1      ASP  74 127.003   8.277   7.315
  553    H    ASP  75           HN       ASP  75 126.196   5.701  10.302
  554    HA   ASP  75           HA       ASP  75 123.785   7.332  10.572
  555    HB2  ASP  75           HB2      ASP  75 123.984   4.906  11.408
  556    HB3  ASP  75           HB1      ASP  75 124.957   5.570  12.716
  Start of MODEL   11
    1    H1   ASP   1           HT1      ASP   1  90.732  11.923   2.386
    2    H2   ASP   1           HT2      ASP   1  91.832  13.088   3.000
    3    H3   ASP   1           HT3      ASP   1  90.772  12.262   4.066
    4    HA   ASP   1           HA       ASP   1  92.847  11.297   4.328
    5    HB2  ASP   1           HB2      ASP   1  90.784   9.797   2.773
    6    HB3  ASP   1           HB1      ASP   1  92.330   9.008   3.064
    7    HA   PRO   2           HA       PRO   2  95.268  12.566   0.606
    8    HB2  PRO   2           HB2      PRO   2  97.386  12.080   2.649
    9    HB3  PRO   2           HB1      PRO   2  97.197  13.428   1.523
   10    HG2  PRO   2           HG2      PRO   2  96.614  13.734   4.097
   11    HG3  PRO   2           HG1      PRO   2  95.609  14.485   2.844
   12    HD2  PRO   2           HD2      PRO   2  95.074  12.059   4.502
   13    HD3  PRO   2           HD1      PRO   2  93.952  13.314   3.940
   14    H    SER   3           HN       SER   3  96.001  11.192  -0.896
   15    HA   SER   3           HA       SER   3  96.195   8.396  -0.360
   16    HB2  SER   3           HB2      SER   3  97.294   9.437  -2.907
   17    HB3  SER   3           HB1      SER   3  96.135   8.139  -2.623
   18    HG   SER   3           HG       SER   3  95.692  10.745  -3.226
   19    H    LYS   4           HN       LYS   4  98.267   7.449  -1.835
   20    HA   LYS   4           HA       LYS   4 100.473   6.921  -1.789
   21    HB2  LYS   4           HB2      LYS   4 100.511   9.538  -2.253
   22    HB3  LYS   4           HB1      LYS   4 101.234   9.573  -0.651
   23    HG2  LYS   4           HG2      LYS   4 102.881   7.842  -1.530
   24    HG3  LYS   4           HG1      LYS   4 102.275   8.258  -3.137
   25    HD2  LYS   4           HD2      LYS   4 102.810  10.653  -2.612
   26    HD3  LYS   4           HD1      LYS   4 103.605  10.088  -1.144
   27    HE2  LYS   4           HE2      LYS   4 104.363   8.947  -3.805
   28    HE3  LYS   4           HE1      LYS   4 105.007  10.506  -3.294
   29    HZ1  LYS   4           HZ1      LYS   4 106.583   8.990  -2.574
   30    HZ2  LYS   4           HZ2      LYS   4 105.436   7.849  -2.084
   31    HZ3  LYS   4           HZ3      LYS   4 105.670   9.255  -1.173
   32    H    GLY   5           HN       GLY   5  99.004   6.085   0.374
   33    HA2  GLY   5           HA2      GLY   5 101.076   5.969   2.419
   34    HA3  GLY   5           HA1      GLY   5  99.533   6.639   2.922
   35    H    ARG   6           HN       ARG   6  99.978   4.017   0.613
   36    HA   ARG   6           HA       ARG   6  99.042   2.074   2.598
   37    HB2  ARG   6           HB2      ARG   6  97.807   2.529  -0.130
   38    HB3  ARG   6           HB1      ARG   6  97.495   1.117   0.867
   39    HG2  ARG   6           HG2      ARG   6  96.012   2.197   2.123
   40    HG3  ARG   6           HG1      ARG   6  97.050   3.613   2.294
   41    HD2  ARG   6           HD2      ARG   6  96.130   3.513  -0.390
   42    HD3  ARG   6           HD1      ARG   6  94.741   3.274   0.665
   43    HE   ARG   6           HE       ARG   6  96.308   5.679   0.360
   44   HH11  ARG   6          HH11      ARG   6  94.046   3.937   2.393
   45   HH12  ARG   6          HH12      ARG   6  93.479   5.361   3.194
   46   HH21  ARG   6          HH21      ARG   6  95.556   7.555   1.432
   47   HH22  ARG   6          HH22      ARG   6  94.334   7.413   2.649
   48    H    TRP   7           HN       TRP   7 101.429   1.696   2.393
   49    HA   TRP   7           HA       TRP   7 101.997  -0.097   0.114
   50    HB2  TRP   7           HB2      TRP   7 103.949   1.664   1.626
   51    HB3  TRP   7           HB1      TRP   7 104.384   0.519   0.362
   52    HD1  TRP   7           HD1      TRP   7 102.541   3.865   0.836
   53    HE1  TRP   7           HE1      TRP   7 102.503   5.094  -1.424
   54    HE3  TRP   7           HE3      TRP   7 104.561   0.207  -2.109
   55    HZ2  TRP   7           HZ2      TRP   7 103.242   4.583  -4.101
   56    HZ3  TRP   7           HZ3      TRP   7 104.862   0.657  -4.509
   57    HH2  TRP   7           HH2      TRP   7 104.215   2.801  -5.482
   58    H    VAL   8           HN       VAL   8 102.740  -2.107   0.578
   59    HA   VAL   8           HA       VAL   8 103.261  -2.747   3.407
   60    HB   VAL   8           HB       VAL   8 101.138  -3.702   2.582
   61   HG11  VAL   8          HG11      VAL   8 102.922  -5.137   0.624
   62   HG12  VAL   8          HG12      VAL   8 101.626  -3.999   0.256
   63   HG13  VAL   8          HG13      VAL   8 101.246  -5.576   0.948
   64   HG21  VAL   8          HG21      VAL   8 101.607  -6.056   3.253
   65   HG22  VAL   8          HG22      VAL   8 102.262  -4.853   4.363
   66   HG23  VAL   8          HG23      VAL   8 103.328  -5.674   3.223
   67    H    GLU   9           HN       GLU   9 104.988  -4.097   3.893
   68    HA   GLU   9           HA       GLU   9 106.926  -4.462   1.732
   69    HB2  GLU   9           HB2      GLU   9 107.678  -3.292   3.771
   70    HB3  GLU   9           HB1      GLU   9 107.306  -4.725   4.720
   71    HG2  GLU   9           HG2      GLU   9 109.012  -5.983   3.606
   72    HG3  GLU   9           HG1      GLU   9 109.300  -4.672   2.467
   73    H    GLY  10           HN       GLY  10 107.563  -6.395   0.988
   74    HA2  GLY  10           HA2      GLY  10 106.735  -8.809   2.461
   75    HA3  GLY  10           HA1      GLY  10 106.348  -8.645   0.755
   76    H    ILE  11           HN       ILE  11 108.007 -10.649   2.171
   77    HA   ILE  11           HA       ILE  11 110.656 -10.114   1.010
   78    HB   ILE  11           HB       ILE  11 109.913 -12.395   2.839
   79   HG12  ILE  11          HG12      ILE  11 109.455 -10.294   4.000
   80   HG13  ILE  11          HG11      ILE  11 110.889 -11.061   4.673
   81   HG21  ILE  11          HG21      ILE  11 112.468 -11.295   1.753
   82   HG22  ILE  11          HG22      ILE  11 111.919 -12.968   1.856
   83   HG23  ILE  11          HG23      ILE  11 112.458 -12.126   3.308
   84   HD11  ILE  11          HD11      ILE  11 111.590  -9.239   2.553
   85   HD12  ILE  11          HD12      ILE  11 112.127  -9.279   4.232
   86   HD13  ILE  11          HD13      ILE  11 110.637  -8.439   3.803
   87    H    THR  12           HN       THR  12 111.197 -11.040  -0.864
   88    HA   THR  12           HA       THR  12 109.949 -13.595  -1.603
   89    HB   THR  12           HB       THR  12 110.153 -12.524  -4.041
   90    HG1  THR  12           HG1      THR  12 109.862 -10.387  -4.069
   91   HG21  THR  12          HG21      THR  12 107.984 -12.810  -2.171
   92   HG22  THR  12          HG22      THR  12 108.004 -13.022  -3.922
   93   HG23  THR  12          HG23      THR  12 107.738 -11.422  -3.231
   94    H    SER  13           HN       SER  13 111.164 -14.833  -3.203
   95    HA   SER  13           HA       SER  13 113.068 -15.794  -3.984
   96    HB2  SER  13           HB2      SER  13 113.142 -13.609  -5.242
   97    HB3  SER  13           HB1      SER  13 114.227 -12.995  -3.994
   98    HG   SER  13           HG       SER  13 115.554 -13.798  -5.530
   99    H    GLU  14           HN       GLU  14 115.810 -14.682  -3.453
  100    HA   GLU  14           HA       GLU  14 116.495 -16.182  -1.231
  101    HB2  GLU  14           HB2      GLU  14 117.892 -14.825  -3.115
  102    HB3  GLU  14           HB1      GLU  14 118.165 -13.799  -1.714
  103    HG2  GLU  14           HG2      GLU  14 119.793 -15.165  -1.120
  104    HG3  GLU  14           HG1      GLU  14 118.570 -16.388  -0.786
  105    H    GLY  15           HN       GLY  15 115.301 -12.900  -1.388
  106    HA2  GLY  15           HA2      GLY  15 114.244 -12.539   1.000
  107    HA3  GLY  15           HA1      GLY  15 115.947 -12.408   1.418
  108    H    TYR  16           HN       TYR  16 114.136 -11.237  -1.411
  109    HA   TYR  16           HA       TYR  16 115.303  -8.590  -0.995
  110    HB2  TYR  16           HB2      TYR  16 113.864  -9.839  -3.341
  111    HB3  TYR  16           HB1      TYR  16 114.352  -8.147  -3.297
  112    HD1  TYR  16           HD1      TYR  16 115.553 -11.620  -3.462
  113    HD2  TYR  16           HD2      TYR  16 116.661  -7.512  -3.551
  114    HE1  TYR  16           HE1      TYR  16 117.783 -12.245  -4.289
  115    HE2  TYR  16           HE2      TYR  16 118.891  -8.127  -4.380
  116    HH   TYR  16           HH       TYR  16 119.829 -10.245  -5.748
  117    H    HIS  17           HN       HIS  17 114.169  -7.065   0.007
  118    HA   HIS  17           HA       HIS  17 111.420  -7.452   0.682
  119    HB2  HIS  17           HB2      HIS  17 113.083  -4.945   0.997
  120    HB3  HIS  17           HB1      HIS  17 111.579  -5.318   1.831
  121    HD1  HIS  17           HD1      HIS  17 113.425  -4.752   3.864
  122    HD2  HIS  17           HD2      HIS  17 113.640  -8.445   1.970
  123    HE1  HIS  17           HE1      HIS  17 114.715  -6.238   5.429
  124    HE2  HIS  17           HE2      HIS  17 114.877  -8.454   4.239
  125    H    TYR  18           HN       TYR  18 109.768  -7.089  -0.617
  126    HA   TYR  18           HA       TYR  18 110.005  -5.005  -2.678
  127    HB2  TYR  18           HB2      TYR  18 108.562  -6.235  -4.085
  128    HB3  TYR  18           HB1      TYR  18 109.678  -7.420  -3.420
  129    HD1  TYR  18           HD2      TYR  18 106.213  -6.229  -3.442
  130    HD2  TYR  18           HD1      TYR  18 108.909  -9.119  -1.866
  131    HE1  TYR  18           HE2      TYR  18 104.309  -7.581  -2.677
  132    HE2  TYR  18           HE1      TYR  18 107.012 -10.480  -1.100
  133    HH   TYR  18           HH       TYR  18 103.941  -9.357  -0.807
  134    H    TYR  19           HN       TYR  19 108.187  -3.664  -3.104
  135    HA   TYR  19           HA       TYR  19 106.248  -3.531  -0.886
  136    HB2  TYR  19           HB2      TYR  19 107.333  -1.128  -2.364
  137    HB3  TYR  19           HB1      TYR  19 106.349  -1.138  -0.905
  138    HD1  TYR  19           HD1      TYR  19 107.522  -2.704   1.030
  139    HD2  TYR  19           HD2      TYR  19 109.539  -0.543  -2.031
  140    HE1  TYR  19           HE1      TYR  19 109.556  -2.666   2.403
  141    HE2  TYR  19           HE2      TYR  19 111.582  -0.500  -0.662
  142    HH   TYR  19           HH       TYR  19 111.672  -1.978   2.573
  143    H    TYR  20           HN       TYR  20 104.143  -2.830  -1.406
  144    HA   TYR  20           HA       TYR  20 103.509  -2.620  -4.268
  145    HB2  TYR  20           HB2      TYR  20 103.113  -4.945  -3.650
  146    HB3  TYR  20           HB1      TYR  20 102.130  -4.440  -2.282
  147    HD1  TYR  20           HD2      TYR  20  99.883  -3.506  -2.648
  148    HD2  TYR  20           HD1      TYR  20 102.231  -4.960  -5.885
  149    HE1  TYR  20           HE2      TYR  20  97.878  -3.568  -4.062
  150    HE2  TYR  20           HE1      TYR  20 100.232  -5.028  -7.311
  151    HH   TYR  20           HH       TYR  20  98.055  -4.175  -7.484
  152    H    ASP  21           HN       ASP  21 101.634  -1.456  -4.765
  153    HA   ASP  21           HA       ASP  21 100.553   0.142  -2.539
  154    HB2  ASP  21           HB2      ASP  21 101.971   1.179  -4.530
  155    HB3  ASP  21           HB1      ASP  21 100.422   1.122  -5.362
  156    H    LEU  22           HN       LEU  22  98.460  -0.137  -2.103
  157    HA   LEU  22           HA       LEU  22  96.815  -1.694  -3.912
  158    HB2  LEU  22           HB2      LEU  22  95.055  -1.210  -2.039
  159    HB3  LEU  22           HB1      LEU  22  96.326  -2.387  -1.794
  160    HG   LEU  22           HG       LEU  22  96.923   0.368  -0.891
  161   HD11  LEU  22          HD11      LEU  22  95.685  -0.434   1.316
  162   HD12  LEU  22          HD12      LEU  22  94.644  -1.229   0.135
  163   HD13  LEU  22          HD13      LEU  22  94.870   0.518   0.076
  164   HD21  LEU  22          HD21      LEU  22  98.386  -0.693   0.443
  165   HD22  LEU  22          HD22      LEU  22  98.118  -2.059  -0.641
  166   HD23  LEU  22          HD23      LEU  22  97.233  -1.950   0.882
  167    H    ILE  23           HN       ILE  23  97.307   1.634  -3.188
  168    HA   ILE  23           HA       ILE  23  94.856   2.785  -3.723
  169    HB   ILE  23           HB       ILE  23  97.547   3.848  -4.604
  170   HG12  ILE  23          HG12      ILE  23  96.190   4.815  -2.142
  171   HG13  ILE  23          HG11      ILE  23  96.919   3.215  -2.069
  172   HG21  ILE  23          HG21      ILE  23  96.553   6.002  -4.694
  173   HG22  ILE  23          HG22      ILE  23  95.051   5.413  -3.980
  174   HG23  ILE  23          HG23      ILE  23  95.506   4.920  -5.611
  175   HD11  ILE  23          HD11      ILE  23  98.944   4.070  -1.870
  176   HD12  ILE  23          HD12      ILE  23  98.177   5.640  -1.665
  177   HD13  ILE  23          HD13      ILE  23  98.713   5.127  -3.263
  178    H    SER  24           HN       SER  24  97.439   2.125  -6.106
  179    HA   SER  24           HA       SER  24  95.389   2.227  -8.218
  180    HB2  SER  24           HB2      SER  24  98.177   3.176  -8.088
  181    HB3  SER  24           HB1      SER  24  97.755   2.333  -9.576
  182    HG   SER  24           HG       SER  24  96.288   4.499  -8.467
  183    H    GLY  25           HN       GLY  25  98.185   0.396  -7.025
  184    HA2  GLY  25           HA2      GLY  25  98.085  -2.016  -7.012
  185    HA3  GLY  25           HA1      GLY  25  97.153  -1.937  -8.500
  186    H    ALA  26           HN       ALA  26 100.269  -0.560  -7.424
  187    HA   ALA  26           HA       ALA  26 101.532  -1.844  -9.757
  188    HB1  ALA  26           HB1      ALA  26 101.547   1.008  -8.956
  189    HB2  ALA  26           HB2      ALA  26 101.627   0.277 -10.559
  190    HB3  ALA  26           HB3      ALA  26 103.067   0.334  -9.544
  191    H    SER  27           HN       SER  27 102.849  -3.360  -8.970
  192    HA   SER  27           HA       SER  27 103.961  -3.276  -6.355
  193    HB2  SER  27           HB2      SER  27 104.995  -5.359  -6.877
  194    HB3  SER  27           HB1      SER  27 103.439  -5.366  -7.707
  195    HG   SER  27           HG       SER  27 106.026  -5.083  -8.775
  196    H    GLN  28           HN       GLN  28 105.859  -2.530  -5.634
  197    HA   GLN  28           HA       GLN  28 107.855  -1.623  -7.602
  198    HB2  GLN  28           HB2      GLN  28 106.288   0.106  -6.239
  199    HB3  GLN  28           HB1      GLN  28 107.601  -0.078  -5.085
  200    HG2  GLN  28           HG2      GLN  28 108.677   1.485  -6.226
  201    HG3  GLN  28           HG1      GLN  28 108.885   0.294  -7.509
  202   HE21  GLN  28          HE21      GLN  28 107.458   0.318  -9.280
  203   HE22  GLN  28          HE22      GLN  28 106.539   1.726  -9.675
  204    H    TRP  29           HN       TRP  29 110.022  -1.191  -6.530
  205    HA   TRP  29           HA       TRP  29 110.498  -3.088  -4.326
  206    HB2  TRP  29           HB2      TRP  29 112.228  -2.701  -6.774
  207    HB3  TRP  29           HB1      TRP  29 112.623  -3.730  -5.401
  208    HD1  TRP  29           HD1      TRP  29 110.021  -3.480  -8.247
  209    HE1  TRP  29           HE1      TRP  29 109.137  -5.845  -8.740
  210    HE3  TRP  29           HE3      TRP  29 112.413  -6.039  -4.518
  211    HZ2  TRP  29           HZ2      TRP  29 109.415  -8.449  -7.691
  212    HZ3  TRP  29           HZ3      TRP  29 112.049  -8.465  -4.335
  213    HH2  TRP  29           HH2      TRP  29 110.581  -9.643  -5.890
  214    H    GLU  30           HN       GLU  30 110.474   0.062  -4.997
  215    HA   GLU  30           HA       GLU  30 112.898   0.632  -3.426
  216    HB2  GLU  30           HB2      GLU  30 111.514   2.498  -5.361
  217    HB3  GLU  30           HB1      GLU  30 113.025   2.794  -4.512
  218    HG2  GLU  30           HG2      GLU  30 114.142   1.921  -6.206
  219    HG3  GLU  30           HG1      GLU  30 113.327   0.379  -5.950
  220    H    LYS  31           HN       LYS  31 112.606   1.591  -1.500
  221    HA   LYS  31           HA       LYS  31 109.982   2.011  -0.486
  222    HB2  LYS  31           HB2      LYS  31 112.370   1.479   0.666
  223    HB3  LYS  31           HB1      LYS  31 112.262   3.206   0.973
  224    HG2  LYS  31           HG2      LYS  31 110.022   2.811   1.994
  225    HG3  LYS  31           HG1      LYS  31 110.310   1.079   1.824
  226    HD2  LYS  31           HD2      LYS  31 112.508   2.522   3.111
  227    HD3  LYS  31           HD1      LYS  31 110.986   2.602   4.001
  228    HE2  LYS  31           HE2      LYS  31 110.901   0.041   3.577
  229    HE3  LYS  31           HE1      LYS  31 112.629   0.209   3.268
  230    HZ1  LYS  31           HZ1      LYS  31 111.624  -0.241   5.676
  231    HZ2  LYS  31           HZ2      LYS  31 111.629   1.450   5.706
  232    HZ3  LYS  31           HZ3      LYS  31 113.068   0.607   5.430
  233    HA   PRO  32           HA       PRO  32 109.689   6.208  -2.116
  234    HB2  PRO  32           HB2      PRO  32 107.123   6.640  -1.357
  235    HB3  PRO  32           HB1      PRO  32 107.550   5.669  -2.770
  236    HG2  PRO  32           HG2      PRO  32 106.808   4.773  -0.011
  237    HG3  PRO  32           HG1      PRO  32 106.276   4.129  -1.575
  238    HD2  PRO  32           HD2      PRO  32 108.218   2.951  -0.103
  239    HD3  PRO  32           HD1      PRO  32 108.212   2.916  -1.877
  240    H    GLU  33           HN       GLU  33 108.472   8.262  -1.035
  241    HA   GLU  33           HA       GLU  33 109.856   8.642   1.493
  242    HB2  GLU  33           HB2      GLU  33 109.383  11.012   1.201
  243    HB3  GLU  33           HB1      GLU  33 110.097  10.345  -0.258
  244    HG2  GLU  33           HG2      GLU  33 107.160  10.342  -0.195
  245    HG3  GLU  33           HG1      GLU  33 107.908  11.934  -0.193
  246    H    GLY  34           HN       GLY  34 107.442   6.958   1.443
  247    HA2  GLY  34           HA2      GLY  34 105.969   8.383   3.537
  248    HA3  GLY  34           HA1      GLY  34 105.059   7.746   2.175
  249    H    PHE  35           HN       PHE  35 107.855   6.127   3.576
  250    HA   PHE  35           HA       PHE  35 106.053   3.983   4.492
  251    HB2  PHE  35           HB2      PHE  35 107.851   3.614   2.614
  252    HB3  PHE  35           HB1      PHE  35 108.972   3.535   3.968
  253    HD1  PHE  35           HD2      PHE  35 105.661   2.113   2.969
  254    HD2  PHE  35           HD1      PHE  35 109.435   1.459   4.828
  255    HE1  PHE  35           HE2      PHE  35 105.087  -0.257   3.299
  256    HE2  PHE  35           HE1      PHE  35 108.866  -0.910   5.158
  257    HZ   PHE  35           HZ       PHE  35 106.689  -1.771   4.394
  258    H    GLN  36           HN       GLN  36 109.306   5.294   5.226
  259    HA   GLN  36           HA       GLN  36 108.622   5.208   8.078
  260    HB2  GLN  36           HB2      GLN  36 111.189   4.131   6.896
  261    HB3  GLN  36           HB1      GLN  36 110.845   4.281   8.613
  262    HG2  GLN  36           HG2      GLN  36 108.798   2.786   8.071
  263    HG3  GLN  36           HG1      GLN  36 109.703   2.384   6.614
  264   HE21  GLN  36          HE21      GLN  36 108.956   0.649   8.804
  265   HE22  GLN  36          HE22      GLN  36 110.425   0.024   9.462
  266    H    GLY  37           HN       GLY  37 108.396   7.470   7.978
  267    HA2  GLY  37           HA2      GLY  37 110.445   9.178   6.972
  268    HA3  GLY  37           HA1      GLY  37 109.074   9.670   7.954
  269    H    ASP  38           HN       ASP  38 112.218   9.961   7.904
  270    HA   ASP  38           HA       ASP  38 112.785   9.201  10.661
  271    HB2  ASP  38           HB2      ASP  38 114.386   9.817   8.272
  272    HB3  ASP  38           HB1      ASP  38 115.051  10.440   9.776
  273    H    LEU  39           HN       LEU  39 112.270  10.563  12.221
  274    HA   LEU  39           HA       LEU  39 112.473  13.462  11.715
  275    HB2  LEU  39           HB2      LEU  39 110.195  12.280  12.283
  276    HB3  LEU  39           HB1      LEU  39 110.813  12.311  13.923
  277    HG   LEU  39           HG       LEU  39 111.187  14.915  13.062
  278   HD11  LEU  39          HD11      LEU  39 108.850  13.704  11.695
  279   HD12  LEU  39          HD12      LEU  39 109.913  15.015  11.183
  280   HD13  LEU  39          HD13      LEU  39 108.658  15.315  12.385
  281   HD21  LEU  39          HD21      LEU  39 109.864  15.429  14.836
  282   HD22  LEU  39          HD22      LEU  39 110.136  13.725  15.198
  283   HD23  LEU  39          HD23      LEU  39 108.639  14.232  14.416
  284    H    LYS  40           HN       LYS  40 114.826  12.729  12.273
  285    HA   LYS  40           HA       LYS  40 116.604  12.826  13.685
  286    HB2  LYS  40           HB2      LYS  40 115.466  15.036  14.156
  287    HB3  LYS  40           HB1      LYS  40 114.746  14.282  15.570
  288    HG2  LYS  40           HG2      LYS  40 117.373  13.712  15.955
  289    HG3  LYS  40           HG1      LYS  40 117.471  15.271  15.134
  290    HD2  LYS  40           HD2      LYS  40 116.187  16.345  16.795
  291    HD3  LYS  40           HD1      LYS  40 115.635  14.812  17.468
  292    HE2  LYS  40           HE2      LYS  40 117.245  15.191  18.997
  293    HE3  LYS  40           HE1      LYS  40 118.305  14.531  17.754
  294    HZ1  LYS  40           HZ1      LYS  40 119.181  16.555  17.296
  295    HZ2  LYS  40           HZ2      LYS  40 118.763  16.849  18.908
  296    HZ3  LYS  40           HZ3      LYS  40 117.763  17.402  17.660
  297    H    LYS  41           HN       LYS  41 115.001  10.481  13.817
  298    HA   LYS  41           HA       LYS  41 114.720   9.740  16.598
  299    HB2  LYS  41           HB2      LYS  41 113.457   8.929  14.324
  300    HB3  LYS  41           HB1      LYS  41 114.612   7.623  14.542
  301    HG2  LYS  41           HG2      LYS  41 113.361   8.207  17.049
  302    HG3  LYS  41           HG1      LYS  41 112.127   7.976  15.809
  303    HD2  LYS  41           HD2      LYS  41 113.177   5.837  15.187
  304    HD3  LYS  41           HD1      LYS  41 114.375   6.070  16.460
  305    HE2  LYS  41           HE2      LYS  41 111.597   6.306  17.362
  306    HE3  LYS  41           HE1      LYS  41 112.023   4.712  16.742
  307    HZ1  LYS  41           HZ1      LYS  41 113.504   6.174  18.865
  308    HZ2  LYS  41           HZ2      LYS  41 113.863   4.623  18.293
  309    HZ3  LYS  41           HZ3      LYS  41 112.419   4.902  19.128
  310    H    THR  42           HN       THR  42 115.675   7.567  17.276
  311    HA   THR  42           HA       THR  42 118.516   7.762  17.139
  312    HB   THR  42           HB       THR  42 117.240   5.285  18.186
  313    HG1  THR  42           HG1      THR  42 116.938   7.823  19.424
  314   HG21  THR  42          HG21      THR  42 119.722   6.333  18.452
  315   HG22  THR  42          HG22      THR  42 118.983   5.190  19.574
  316   HG23  THR  42          HG23      THR  42 118.936   6.920  19.918
  317    H    ALA  43           HN       ALA  43 116.113   5.798  15.511
  318    HA   ALA  43           HA       ALA  43 117.770   3.742  14.558
  319    HB1  ALA  43           HB1      ALA  43 115.177   4.899  13.601
  320    HB2  ALA  43           HB2      ALA  43 115.485   3.339  14.362
  321    HB3  ALA  43           HB3      ALA  43 115.995   3.623  12.698
  322    H    VAL  44           HN       VAL  44 118.924   3.466  12.667
  323    HA   VAL  44           HA       VAL  44 119.321   5.855  10.994
  324    HB   VAL  44           HB       VAL  44 121.546   3.982  11.801
  325   HG11  VAL  44          HG11      VAL  44 123.016   5.523  10.769
  326   HG12  VAL  44          HG12      VAL  44 121.743   6.729  10.589
  327   HG13  VAL  44          HG13      VAL  44 121.702   5.254   9.625
  328   HG21  VAL  44          HG21      VAL  44 121.303   5.001  13.812
  329   HG22  VAL  44          HG22      VAL  44 120.476   6.400  13.129
  330   HG23  VAL  44          HG23      VAL  44 122.231   6.268  13.010
  331    H    LYS  45           HN       LYS  45 119.535   5.506   8.815
  332    HA   LYS  45           HA       LYS  45 119.171   2.726   7.919
  333    HB2  LYS  45           HB2      LYS  45 118.445   5.291   6.492
  334    HB3  LYS  45           HB1      LYS  45 118.143   3.665   5.898
  335    HG2  LYS  45           HG2      LYS  45 117.035   4.441   8.549
  336    HG3  LYS  45           HG1      LYS  45 116.264   5.055   7.085
  337    HD2  LYS  45           HD2      LYS  45 115.110   3.123   7.170
  338    HD3  LYS  45           HD1      LYS  45 116.566   2.441   6.443
  339    HE2  LYS  45           HE2      LYS  45 117.143   2.429   9.138
  340    HE3  LYS  45           HE1      LYS  45 115.427   2.029   9.095
  341    HZ1  LYS  45           HZ1      LYS  45 116.329   0.429   7.181
  342    HZ2  LYS  45           HZ2      LYS  45 116.248  -0.036   8.804
  343    HZ3  LYS  45           HZ3      LYS  45 117.714   0.497   8.152
  344    H    THR  46           HN       THR  46 121.635   2.711   8.252
  345    HA   THR  46           HA       THR  46 122.862   2.775   5.692
  346    HB   THR  46           HB       THR  46 122.983   5.179   6.148
  347    HG1  THR  46           HG1      THR  46 125.531   3.957   6.406
  348   HG21  THR  46          HG21      THR  46 123.458   4.499   8.781
  349   HG22  THR  46          HG22      THR  46 123.573   6.108   8.071
  350   HG23  THR  46          HG23      THR  46 125.013   5.098   8.203
  351    H    VAL  47           HN       VAL  47 123.763   0.826   5.869
  352    HA   VAL  47           HA       VAL  47 125.340   0.209   8.279
  353    HB   VAL  47           HB       VAL  47 124.303  -1.784   6.261
  354   HG11  VAL  47          HG11      VAL  47 125.707  -1.975   8.896
  355   HG12  VAL  47          HG12      VAL  47 126.042  -2.821   7.386
  356   HG13  VAL  47          HG13      VAL  47 124.645  -3.277   8.361
  357   HG21  VAL  47          HG21      VAL  47 122.288  -1.182   7.117
  358   HG22  VAL  47          HG22      VAL  47 122.989  -0.519   8.592
  359   HG23  VAL  47          HG23      VAL  47 122.787  -2.262   8.418
  360    H    TRP  48           HN       TRP  48 125.504   0.620   4.833
  361    HA   TRP  48           HA       TRP  48 127.953  -0.761   4.413
  362    HB2  TRP  48           HB2      TRP  48 126.590   1.397   2.792
  363    HB3  TRP  48           HB1      TRP  48 128.012   0.508   2.259
  364    HD1  TRP  48           HD1      TRP  48 124.258   0.050   2.887
  365    HE1  TRP  48           HE1      TRP  48 123.479  -2.083   1.675
  366    HE3  TRP  48           HE3      TRP  48 128.808  -1.741   1.387
  367    HZ2  TRP  48           HZ2      TRP  48 124.639  -4.239   0.269
  368    HZ3  TRP  48           HZ3      TRP  48 128.886  -3.845   0.113
  369    HH2  TRP  48           HH2      TRP  48 126.843  -5.067  -0.433
  370    H    VAL  49           HN       VAL  49 130.035  -0.007   4.272
  371    HA   VAL  49           HA       VAL  49 130.526   2.634   5.484
  372    HB   VAL  49           HB       VAL  49 132.657   0.541   5.352
  373   HG11  VAL  49          HG11      VAL  49 133.259   1.612   7.542
  374   HG12  VAL  49          HG12      VAL  49 131.982   2.789   7.237
  375   HG13  VAL  49          HG13      VAL  49 133.355   2.671   6.136
  376   HG21  VAL  49          HG21      VAL  49 131.885  -0.219   7.648
  377   HG22  VAL  49          HG22      VAL  49 130.940  -0.787   6.271
  378   HG23  VAL  49          HG23      VAL  49 130.337   0.539   7.267
  379    H    GLU  50           HN       GLU  50 131.871   4.086   4.463
  380    HA   GLU  50           HA       GLU  50 132.527   3.478   1.691
  381    HB2  GLU  50           HB2      GLU  50 131.365   5.615   2.416
  382    HB3  GLU  50           HB1      GLU  50 132.898   6.110   3.120
  383    HG2  GLU  50           HG2      GLU  50 133.924   6.335   1.059
  384    HG3  GLU  50           HG1      GLU  50 132.765   5.282   0.253
  385    H    GLY  51           HN       GLY  51 134.482   2.845   1.079
  386    HA2  GLY  51           HA2      GLY  51 136.781   3.507   2.815
  387    HA3  GLY  51           HA1      GLY  51 136.635   1.985   1.950
  388    H    LEU  52           HN       LEU  52 138.872   3.683   1.739
  389    HA   LEU  52           HA       LEU  52 138.590   4.721  -1.004
  390    HB2  LEU  52           HB2      LEU  52 139.201   6.396   0.730
  391    HB3  LEU  52           HB1      LEU  52 140.665   5.485   1.050
  392    HG   LEU  52           HG       LEU  52 141.157   5.846  -1.479
  393   HD11  LEU  52          HD11      LEU  52 138.727   6.884  -1.617
  394   HD12  LEU  52          HD12      LEU  52 140.049   7.469  -2.627
  395   HD13  LEU  52          HD13      LEU  52 139.597   8.351  -1.169
  396   HD21  LEU  52          HD21      LEU  52 141.301   8.121   0.497
  397   HD22  LEU  52          HD22      LEU  52 142.254   7.976  -0.980
  398   HD23  LEU  52          HD23      LEU  52 142.473   6.813   0.328
  399    H    SER  53           HN       SER  53 139.856   3.947  -2.589
  400    HA   SER  53           HA       SER  53 141.931   1.981  -1.871
  401    HB2  SER  53           HB2      SER  53 139.567   1.623  -3.441
  402    HB3  SER  53           HB1      SER  53 140.968   1.457  -4.498
  403    HG   SER  53           HG       SER  53 140.014  -0.299  -2.762
  404    H    GLU  54           HN       GLU  54 143.752   1.841  -3.268
  405    HA   GLU  54           HA       GLU  54 144.940   4.189  -4.027
  406    HB2  GLU  54           HB2      GLU  54 145.713   1.578  -4.025
  407    HB3  GLU  54           HB1      GLU  54 145.646   1.905  -5.752
  408    HG2  GLU  54           HG2      GLU  54 147.316   3.503  -5.648
  409    HG3  GLU  54           HG1      GLU  54 147.092   3.774  -3.921
  410    H    ASP  55           HN       ASP  55 145.456   5.132  -6.069
  411    HA   ASP  55           HA       ASP  55 145.014   5.989  -8.113
  412    HB2  ASP  55           HB2      ASP  55 143.938   3.232  -8.366
  413    HB3  ASP  55           HB1      ASP  55 143.453   4.399  -9.590
  414    H    GLY  56           HN       GLY  56 142.927   5.995  -5.728
  415    HA2  GLY  56           HA2      GLY  56 141.093   7.335  -5.340
  416    HA3  GLY  56           HA1      GLY  56 141.164   7.833  -7.021
  417    H    PHE  57           HN       PHE  57 140.334   4.952  -5.081
  418    HA   PHE  57           HA       PHE  57 137.916   4.663  -6.734
  419    HB2  PHE  57           HB2      PHE  57 139.711   2.389  -5.851
  420    HB3  PHE  57           HB1      PHE  57 138.176   2.212  -6.690
  421    HD1  PHE  57           HD2      PHE  57 138.221   4.055  -8.850
  422    HD2  PHE  57           HD1      PHE  57 141.447   1.816  -7.212
  423    HE1  PHE  57           HE2      PHE  57 139.403   4.190 -11.003
  424    HE2  PHE  57           HE1      PHE  57 142.637   1.948  -9.357
  425    HZ   PHE  57           HZ       PHE  57 141.615   3.136 -11.259
  426    H    THR  58           HN       THR  58 136.155   4.754  -5.494
  427    HA   THR  58           HA       THR  58 136.407   4.344  -2.625
  428    HB   THR  58           HB       THR  58 133.892   5.110  -4.096
  429    HG1  THR  58           HG1      THR  58 135.114   6.733  -4.740
  430   HG21  THR  58          HG21      THR  58 134.868   5.441  -1.289
  431   HG22  THR  58          HG22      THR  58 133.350   4.757  -1.868
  432   HG23  THR  58          HG23      THR  58 133.625   6.496  -1.962
  433    H    TYR  59           HN       TYR  59 135.999   2.480  -1.690
  434    HA   TYR  59           HA       TYR  59 134.219   0.560  -3.034
  435    HB2  TYR  59           HB2      TYR  59 135.474  -1.235  -2.091
  436    HB3  TYR  59           HB1      TYR  59 136.638  -0.114  -2.784
  437    HD1  TYR  59           HD2      TYR  59 135.277  -1.498   0.327
  438    HD2  TYR  59           HD1      TYR  59 138.163   1.127  -1.372
  439    HE1  TYR  59           HE2      TYR  59 136.456  -1.410   2.482
  440    HE2  TYR  59           HE1      TYR  59 139.351   1.221   0.778
  441    HH   TYR  59           HH       TYR  59 139.533  -0.372   2.855
  442    H    TYR  60           HN       TYR  60 132.658  -0.540  -1.806
  443    HA   TYR  60           HA       TYR  60 132.196   0.600   0.877
  444    HB2  TYR  60           HB2      TYR  60 130.165  -0.184  -1.224
  445    HB3  TYR  60           HB1      TYR  60 129.758   0.273   0.427
  446    HD1  TYR  60           HD1      TYR  60 130.587   2.615   1.205
  447    HD2  TYR  60           HD2      TYR  60 130.263   1.454  -2.877
  448    HE1  TYR  60           HE1      TYR  60 130.531   4.979   0.542
  449    HE2  TYR  60           HE2      TYR  60 130.209   3.818  -3.550
  450    HH   TYR  60           HH       TYR  60 129.814   6.370  -1.286
  451    H    TYR  61           HN       TYR  61 131.599  -0.765   2.523
  452    HA   TYR  61           HA       TYR  61 131.417  -3.634   1.877
  453    HB2  TYR  61           HB2      TYR  61 133.639  -3.216   2.770
  454    HB3  TYR  61           HB1      TYR  61 132.958  -2.367   4.154
  455    HD1  TYR  61           HD2      TYR  61 133.202  -5.700   2.532
  456    HD2  TYR  61           HD1      TYR  61 132.294  -3.547   6.089
  457    HE1  TYR  61           HE2      TYR  61 133.130  -7.815   3.789
  458    HE2  TYR  61           HE1      TYR  61 132.224  -5.654   7.353
  459    HH   TYR  61           HH       TYR  61 133.538  -8.330   6.543
  460    H    ASN  62           HN       ASN  62 130.117  -4.894   3.231
  461    HA   ASN  62           HA       ASN  62 128.299  -3.369   4.981
  462    HB2  ASN  62           HB2      ASN  62 127.269  -4.175   2.852
  463    HB3  ASN  62           HB1      ASN  62 127.621  -5.824   3.353
  464   HD21  ASN  62          HD21      ASN  62 125.106  -5.377   2.811
  465   HD22  ASN  62          HD22      ASN  62 124.144  -5.223   4.239
  466    H    THR  63           HN       THR  63 128.136  -4.035   7.037
  467    HA   THR  63           HA       THR  63 129.759  -6.204   7.965
  468    HB   THR  63           HB       THR  63 128.777  -5.625  10.203
  469    HG1  THR  63           HG1      THR  63 127.309  -4.046  10.365
  470   HG21  THR  63          HG21      THR  63 129.554  -3.128  10.085
  471   HG22  THR  63          HG22      THR  63 130.146  -3.619   8.498
  472   HG23  THR  63          HG23      THR  63 130.712  -4.451   9.945
  473    H    GLU  64           HN       GLU  64 126.309  -5.731   7.413
  474    HA   GLU  64           HA       GLU  64 125.340  -7.957   8.788
  475    HB2  GLU  64           HB2      GLU  64 124.131  -6.987   6.211
  476    HB3  GLU  64           HB1      GLU  64 123.324  -7.655   7.618
  477    HG2  GLU  64           HG2      GLU  64 124.112  -5.585   8.861
  478    HG3  GLU  64           HG1      GLU  64 124.517  -4.932   7.276
  479    H    THR  65           HN       THR  65 125.934  -7.682   5.274
  480    HA   THR  65           HA       THR  65 125.767 -10.538   4.935
  481    HB   THR  65           HB       THR  65 126.078 -10.143   2.601
  482    HG1  THR  65           HG1      THR  65 127.034  -7.589   3.359
  483   HG21  THR  65          HG21      THR  65 124.548  -7.805   3.711
  484   HG22  THR  65          HG22      THR  65 123.901  -9.407   3.360
  485   HG23  THR  65          HG23      THR  65 124.484  -8.384   2.047
  486    H    GLY  66           HN       GLY  66 128.338  -8.150   5.172
  487    HA2  GLY  66           HA2      GLY  66 130.565  -8.450   5.675
  488    HA3  GLY  66           HA1      GLY  66 130.271 -10.176   5.787
  489    H    GLU  67           HN       GLU  67 129.792  -7.944   3.058
  490    HA   GLU  67           HA       GLU  67 131.925  -9.334   1.601
  491    HB2  GLU  67           HB2      GLU  67 129.772 -10.381   0.990
  492    HB3  GLU  67           HB1      GLU  67 129.160  -8.812   0.488
  493    HG2  GLU  67           HG2      GLU  67 130.806  -8.696  -1.279
  494    HG3  GLU  67           HG1      GLU  67 131.530 -10.210  -0.738
  495    H    SER  68           HN       SER  68 133.173  -8.042   0.380
  496    HA   SER  68           HA       SER  68 132.823  -5.201   0.572
  497    HB2  SER  68           HB2      SER  68 134.886  -5.439  -1.154
  498    HB3  SER  68           HB1      SER  68 135.071  -5.595   0.591
  499    HG   SER  68           HG       SER  68 134.785  -7.688  -1.305
  500    H    ARG  69           HN       ARG  69 132.434  -3.733  -1.085
  501    HA   ARG  69           HA       ARG  69 131.557  -4.840  -3.663
  502    HB2  ARG  69           HB2      ARG  69 129.689  -4.226  -1.940
  503    HB3  ARG  69           HB1      ARG  69 130.068  -2.569  -2.389
  504    HG2  ARG  69           HG2      ARG  69 129.147  -2.768  -4.443
  505    HG3  ARG  69           HG1      ARG  69 129.606  -4.464  -4.605
  506    HD2  ARG  69           HD2      ARG  69 127.763  -5.211  -3.410
  507    HD3  ARG  69           HD1      ARG  69 127.515  -3.653  -2.622
  508    HE   ARG  69           HE       ARG  69 126.202  -3.031  -4.381
  509   HH11  ARG  69          HH11      ARG  69 128.160  -5.756  -5.383
  510   HH12  ARG  69          HH12      ARG  69 127.373  -5.920  -6.914
  511   HH21  ARG  69          HH21      ARG  69 125.163  -3.252  -6.405
  512   HH22  ARG  69          HH22      ARG  69 125.669  -4.498  -7.495
  513    H    TRP  70           HN       TRP  70 131.532  -3.283  -5.419
  514    HA   TRP  70           HA       TRP  70 133.265  -0.946  -4.946
  515    HB2  TRP  70           HB2      TRP  70 133.353  -2.787  -7.348
  516    HB3  TRP  70           HB1      TRP  70 134.338  -1.347  -7.119
  517    HD1  TRP  70           HD1      TRP  70 133.934  -4.931  -5.804
  518    HE1  TRP  70           HE1      TRP  70 136.118  -5.623  -4.632
  519    HE3  TRP  70           HE3      TRP  70 136.390  -0.446  -5.942
  520    HZ2  TRP  70           HZ2      TRP  70 138.558  -4.429  -3.868
  521    HZ3  TRP  70           HZ3      TRP  70 138.646  -0.307  -4.968
  522    HH2  TRP  70           HH2      TRP  70 139.705  -2.259  -3.953
  523    H    GLU  71           HN       GLU  71 130.355  -1.108  -5.063
  524    HA   GLU  71           HA       GLU  71 129.918   0.926  -7.081
  525    HB2  GLU  71           HB2      GLU  71 128.861  -1.828  -7.296
  526    HB3  GLU  71           HB1      GLU  71 127.689  -0.547  -7.569
  527    HG2  GLU  71           HG2      GLU  71 129.930   0.210  -9.037
  528    HG3  GLU  71           HG1      GLU  71 129.782  -1.526  -9.291
  529    H    LYS  72           HN       LYS  72 128.460   2.408  -6.434
  530    HA   LYS  72           HA       LYS  72 127.568   2.473  -3.778
  531    HB2  LYS  72           HB2      LYS  72 126.098   4.378  -4.584
  532    HB3  LYS  72           HB1      LYS  72 127.819   4.549  -4.900
  533    HG2  LYS  72           HG2      LYS  72 127.552   4.071  -7.192
  534    HG3  LYS  72           HG1      LYS  72 125.908   3.476  -6.953
  535    HD2  LYS  72           HD2      LYS  72 125.298   5.803  -6.204
  536    HD3  LYS  72           HD1      LYS  72 126.895   6.314  -6.751
  537    HE2  LYS  72           HE2      LYS  72 125.323   4.745  -8.689
  538    HE3  LYS  72           HE1      LYS  72 124.680   6.340  -8.301
  539    HZ1  LYS  72           HZ1      LYS  72 126.390   7.375  -9.314
  540    HZ2  LYS  72           HZ2      LYS  72 126.507   5.926 -10.177
  541    HZ3  LYS  72           HZ3      LYS  72 127.534   6.212  -8.864
  542    HA   PRO  73           HA       PRO  73 123.935  -0.037  -3.570
  543    HB2  PRO  73           HB2      PRO  73 122.707   2.265  -2.135
  544    HB3  PRO  73           HB1      PRO  73 122.829   0.572  -1.647
  545    HG2  PRO  73           HG2      PRO  73 124.395   2.410  -0.545
  546    HG3  PRO  73           HG1      PRO  73 125.028   0.800  -0.937
  547    HD2  PRO  73           HD2      PRO  73 125.430   3.397  -2.359
  548    HD3  PRO  73           HD1      PRO  73 126.567   2.055  -2.112
  549    H    ASP  74           HN       ASP  74 123.288   0.000  -5.746
  550    HA   ASP  74           HA       ASP  74 120.793   1.230  -6.268
  551    HB2  ASP  74           HB2      ASP  74 122.985   2.895  -6.804
  552    HB3  ASP  74           HB1      ASP  74 122.491   2.278  -8.378
  553    H    ASP  75           HN       ASP  75 120.118  -0.812  -6.877
  554    HA   ASP  75           HA       ASP  75 121.594  -2.385  -8.766
  555    HB2  ASP  75           HB2      ASP  75 119.930  -3.154  -6.867
  556    HB3  ASP  75           HB1      ASP  75 118.726  -2.957  -8.134
  Start of MODEL   12
    1    H1   ASP   1           HT1      ASP   1 100.786  11.562 -13.629
    2    H2   ASP   1           HT2      ASP   1 102.251  12.141 -12.947
    3    H3   ASP   1           HT3      ASP   1 100.936  13.215 -13.198
    4    HA   ASP   1           HA       ASP   1 101.281  12.498 -10.887
    5    HB2  ASP   1           HB2      ASP   1  98.739  12.127 -12.444
    6    HB3  ASP   1           HB1      ASP   1  98.755  11.831 -10.709
    7    HA   PRO   2           HA       PRO   2 102.114   7.984 -11.177
    8    HB2  PRO   2           HB2      PRO   2 103.860   7.941  -9.094
    9    HB3  PRO   2           HB1      PRO   2 104.334   8.373 -10.740
   10    HG2  PRO   2           HG2      PRO   2 103.705  10.158  -8.421
   11    HG3  PRO   2           HG1      PRO   2 105.017  10.285  -9.607
   12    HD2  PRO   2           HD2      PRO   2 102.768  11.778  -9.763
   13    HD3  PRO   2           HD1      PRO   2 103.653  11.233 -11.203
   14    H    SER   3           HN       SER   3 100.931   6.466 -10.175
   15    HA   SER   3           HA       SER   3  99.410   7.200  -7.812
   16    HB2  SER   3           HB2      SER   3  98.552   4.710  -8.310
   17    HB3  SER   3           HB1      SER   3  97.955   6.108  -9.203
   18    HG   SER   3           HG       SER   3  99.793   4.137 -10.003
   19    H    LYS   4           HN       LYS   4 100.710   7.121  -6.043
   20    HA   LYS   4           HA       LYS   4 102.357   4.751  -5.562
   21    HB2  LYS   4           HB2      LYS   4 102.154   7.413  -4.153
   22    HB3  LYS   4           HB1      LYS   4 103.134   6.082  -3.556
   23    HG2  LYS   4           HG2      LYS   4 104.737   7.158  -4.712
   24    HG3  LYS   4           HG1      LYS   4 104.082   6.207  -6.046
   25    HD2  LYS   4           HD2      LYS   4 103.291   8.026  -7.098
   26    HD3  LYS   4           HD1      LYS   4 102.674   8.732  -5.604
   27    HE2  LYS   4           HE2      LYS   4 104.357  10.191  -6.466
   28    HE3  LYS   4           HE1      LYS   4 105.012   9.394  -5.036
   29    HZ1  LYS   4           HZ1      LYS   4 105.777   7.733  -7.015
   30    HZ2  LYS   4           HZ2      LYS   4 106.741   8.960  -6.367
   31    HZ3  LYS   4           HZ3      LYS   4 105.869   9.234  -7.788
   32    H    GLY   5           HN       GLY   5 102.412   4.191  -3.054
   33    HA2  GLY   5           HA2      GLY   5  99.643   4.014  -2.057
   34    HA3  GLY   5           HA1      GLY   5 100.646   2.575  -2.163
   35    H    ARG   6           HN       ARG   6  99.391   3.919   0.180
   36    HA   ARG   6           HA       ARG   6 101.480   5.126   1.705
   37    HB2  ARG   6           HB2      ARG   6  98.921   3.860   2.722
   38    HB3  ARG   6           HB1      ARG   6  99.952   4.980   3.598
   39    HG2  ARG   6           HG2      ARG   6  99.405   6.490   1.454
   40    HG3  ARG   6           HG1      ARG   6  97.948   5.494   1.490
   41    HD2  ARG   6           HD2      ARG   6  97.916   6.103   4.021
   42    HD3  ARG   6           HD1      ARG   6  98.981   7.420   3.535
   43    HE   ARG   6           HE       ARG   6  96.586   7.240   1.958
   44   HH11  ARG   6          HH11      ARG   6  97.972   8.532   4.906
   45   HH12  ARG   6          HH12      ARG   6  96.819   9.816   5.031
   46   HH21  ARG   6          HH21      ARG   6  95.063   8.938   2.135
   47   HH22  ARG   6          HH22      ARG   6  95.169  10.046   3.461
   48    H    TRP   7           HN       TRP   7 103.173   3.581   1.386
   49    HA   TRP   7           HA       TRP   7 102.899   1.142   3.023
   50    HB2  TRP   7           HB2      TRP   7 104.560   1.712   0.570
   51    HB3  TRP   7           HB1      TRP   7 104.903   0.352   1.633
   52    HD1  TRP   7           HD1      TRP   7 102.399   1.549  -0.982
   53    HE1  TRP   7           HE1      TRP   7 100.885  -0.423  -1.648
   54    HE3  TRP   7           HE3      TRP   7 103.915  -1.854   2.516
   55    HZ2  TRP   7           HZ2      TRP   7 100.401  -3.075  -0.802
   56    HZ3  TRP   7           HZ3      TRP   7 102.879  -4.084   2.521
   57    HH2  TRP   7           HH2      TRP   7 101.158  -4.680   0.896
   58    H    VAL   8           HN       VAL   8 104.393   0.704   4.580
   59    HA   VAL   8           HA       VAL   8 106.368   2.818   5.126
   60    HB   VAL   8           HB       VAL   8 104.643   2.596   6.865
   61   HG11  VAL   8          HG11      VAL   8 104.182   0.192   6.539
   62   HG12  VAL   8          HG12      VAL   8 104.454   0.614   8.229
   63   HG13  VAL   8          HG13      VAL   8 105.726  -0.183   7.305
   64   HG21  VAL   8          HG21      VAL   8 106.422   3.421   7.970
   65   HG22  VAL   8          HG22      VAL   8 107.514   2.183   7.351
   66   HG23  VAL   8          HG23      VAL   8 106.462   1.826   8.720
   67    H    GLU   9           HN       GLU   9 108.495   2.297   5.252
   68    HA   GLU   9           HA       GLU   9 109.228  -0.448   4.623
   69    HB2  GLU   9           HB2      GLU   9 110.254   1.375   3.332
   70    HB3  GLU   9           HB1      GLU   9 110.957   2.028   4.806
   71    HG2  GLU   9           HG2      GLU   9 111.992  -0.378   4.994
   72    HG3  GLU   9           HG1      GLU   9 111.705  -0.401   3.257
   73    H    GLY  10           HN       GLY  10 110.093  -1.849   5.984
   74    HA2  GLY  10           HA2      GLY  10 111.161  -0.877   8.552
   75    HA3  GLY  10           HA1      GLY  10 109.981  -2.178   8.516
   76    H    ILE  11           HN       ILE  11 112.768  -2.135   9.507
   77    HA   ILE  11           HA       ILE  11 114.068  -4.025   7.672
   78    HB   ILE  11           HB       ILE  11 115.097  -2.343   9.944
   79   HG12  ILE  11          HG12      ILE  11 116.675  -1.540   8.274
   80   HG13  ILE  11          HG11      ILE  11 116.079  -2.710   7.103
   81   HG21  ILE  11          HG21      ILE  11 116.225  -4.273  10.504
   82   HG22  ILE  11          HG22      ILE  11 117.343  -3.534   9.358
   83   HG23  ILE  11          HG23      ILE  11 116.289  -4.848   8.838
   84   HD11  ILE  11          HD11      ILE  11 114.169  -0.748   8.262
   85   HD12  ILE  11          HD12      ILE  11 114.186  -1.509   6.670
   86   HD13  ILE  11          HD13      ILE  11 115.319  -0.208   7.040
   87    H    THR  12           HN       THR  12 114.481  -6.119   8.216
   88    HA   THR  12           HA       THR  12 113.521  -7.029  10.847
   89    HB   THR  12           HB       THR  12 113.243  -9.269   9.436
   90    HG1  THR  12           HG1      THR  12 112.744  -7.247   7.511
   91   HG21  THR  12          HG21      THR  12 111.073  -7.301   8.969
   92   HG22  THR  12          HG22      THR  12 111.480  -7.752  10.624
   93   HG23  THR  12          HG23      THR  12 110.988  -8.989   9.468
   94    H    SER  13           HN       SER  13 114.491  -9.054  11.615
   95    HA   SER  13           HA       SER  13 117.165  -8.987  12.008
   96    HB2  SER  13           HB2      SER  13 115.640 -11.580  11.709
   97    HB3  SER  13           HB1      SER  13 117.065 -11.287  12.708
   98    HG   SER  13           HG       SER  13 114.440 -10.810  13.247
   99    H    GLU  14           HN       GLU  14 119.014  -9.968  11.166
  100    HA   GLU  14           HA       GLU  14 120.393 -10.956   9.633
  101    HB2  GLU  14           HB2      GLU  14 118.061 -12.240   9.027
  102    HB3  GLU  14           HB1      GLU  14 118.400 -11.406   7.517
  103    HG2  GLU  14           HG2      GLU  14 119.859 -12.970   6.980
  104    HG3  GLU  14           HG1      GLU  14 120.820 -12.558   8.398
  105    H    GLY  15           HN       GLY  15 117.794  -9.157   7.941
  106    HA2  GLY  15           HA2      GLY  15 118.749  -6.806   7.353
  107    HA3  GLY  15           HA1      GLY  15 119.865  -7.764   6.390
  108    H    TYR  16           HN       TYR  16 116.338  -7.702   6.961
  109    HA   TYR  16           HA       TYR  16 115.971  -7.695   4.035
  110    HB2  TYR  16           HB2      TYR  16 114.118  -9.048   6.000
  111    HB3  TYR  16           HB1      TYR  16 114.085  -9.157   4.244
  112    HD1  TYR  16           HD1      TYR  16 116.441 -10.025   3.230
  113    HD2  TYR  16           HD2      TYR  16 114.955 -10.866   7.127
  114    HE1  TYR  16           HE1      TYR  16 117.848 -12.039   3.326
  115    HE2  TYR  16           HE2      TYR  16 116.358 -12.881   7.233
  116    HH   TYR  16           HH       TYR  16 117.464 -14.470   5.041
  117    H    HIS  17           HN       HIS  17 114.475  -6.307   3.208
  118    HA   HIS  17           HA       HIS  17 113.279  -4.420   5.108
  119    HB2  HIS  17           HB2      HIS  17 113.771  -4.199   2.133
  120    HB3  HIS  17           HB1      HIS  17 112.960  -2.969   3.097
  121    HD1  HIS  17           HD1      HIS  17 115.056  -1.512   2.123
  122    HD2  HIS  17           HD2      HIS  17 115.914  -4.361   5.022
  123    HE1  HIS  17           HE1      HIS  17 117.322  -0.895   3.022
  124    HE2  HIS  17           HE2      HIS  17 117.777  -2.578   4.843
  125    H    TYR  18           HN       TYR  18 111.235  -4.685   5.625
  126    HA   TYR  18           HA       TYR  18 109.422  -5.964   3.691
  127    HB2  TYR  18           HB2      TYR  18 108.151  -6.835   5.490
  128    HB3  TYR  18           HB1      TYR  18 109.833  -7.123   5.915
  129    HD1  TYR  18           HD1      TYR  18 110.929  -5.674   7.641
  130    HD2  TYR  18           HD2      TYR  18 106.754  -5.478   6.843
  131    HE1  TYR  18           HE1      TYR  18 110.577  -4.531   9.790
  132    HE2  TYR  18           HE2      TYR  18 106.390  -4.336   8.987
  133    HH   TYR  18           HH       TYR  18 107.606  -4.203  11.236
  134    H    TYR  19           HN       TYR  19 107.293  -5.125   3.455
  135    HA   TYR  19           HA       TYR  19 106.990  -2.343   4.379
  136    HB2  TYR  19           HB2      TYR  19 106.104  -3.438   1.702
  137    HB3  TYR  19           HB1      TYR  19 105.955  -1.773   2.251
  138    HD1  TYR  19           HD2      TYR  19 108.127  -0.499   2.754
  139    HD2  TYR  19           HD1      TYR  19 108.020  -4.140   0.554
  140    HE1  TYR  19           HE2      TYR  19 110.336   0.014   1.808
  141    HE2  TYR  19           HE1      TYR  19 110.231  -3.637  -0.394
  142    HH   TYR  19           HH       TYR  19 112.282  -2.173   0.387
  143    H    TYR  20           HN       TYR  20 104.873  -1.625   4.827
  144    HA   TYR  20           HA       TYR  20 102.808  -3.721   4.927
  145    HB2  TYR  20           HB2      TYR  20 103.681  -3.597   7.165
  146    HB3  TYR  20           HB1      TYR  20 103.595  -1.838   7.156
  147    HD1  TYR  20           HD1      TYR  20 101.451  -0.696   7.412
  148    HD2  TYR  20           HD2      TYR  20 101.703  -4.941   7.530
  149    HE1  TYR  20           HE1      TYR  20  99.192  -0.792   8.369
  150    HE2  TYR  20           HE2      TYR  20  99.443  -5.054   8.490
  151    HH   TYR  20           HH       TYR  20  97.960  -2.850   9.975
  152    H    ASP  21           HN       ASP  21 100.690  -3.048   4.675
  153    HA   ASP  21           HA       ASP  21 100.358  -0.277   3.737
  154    HB2  ASP  21           HB2      ASP  21  99.905  -2.502   2.286
  155    HB3  ASP  21           HB1      ASP  21  98.324  -2.323   3.037
  156    H    LEU  22           HN       LEU  22  99.144   1.029   4.928
  157    HA   LEU  22           HA       LEU  22  97.592  -0.045   7.129
  158    HB2  LEU  22           HB2      LEU  22  97.141   2.425   7.578
  159    HB3  LEU  22           HB1      LEU  22  98.782   1.849   7.778
  160    HG   LEU  22           HG       LEU  22  98.149   2.975   5.118
  161   HD11  LEU  22          HD11      LEU  22  96.914   4.565   6.373
  162   HD12  LEU  22          HD12      LEU  22  98.480   5.300   6.023
  163   HD13  LEU  22          HD13      LEU  22  98.153   4.639   7.626
  164   HD21  LEU  22          HD21      LEU  22 100.404   3.926   6.759
  165   HD22  LEU  22          HD22      LEU  22 100.365   3.389   5.079
  166   HD23  LEU  22          HD23      LEU  22 100.403   2.201   6.384
  167    H    ILE  23           HN       ILE  23  97.023   1.228   3.949
  168    HA   ILE  23           HA       ILE  23  94.386   2.101   4.177
  169    HB   ILE  23           HB       ILE  23  95.528   0.672   1.773
  170   HG12  ILE  23          HG12      ILE  23  95.637   3.502   1.488
  171   HG13  ILE  23          HG11      ILE  23  96.397   3.096   3.023
  172   HG21  ILE  23          HG21      ILE  23  93.266   2.622   2.146
  173   HG22  ILE  23          HG22      ILE  23  93.196   0.978   1.509
  174   HG23  ILE  23          HG23      ILE  23  93.970   2.255   0.571
  175   HD11  ILE  23          HD11      ILE  23  98.113   1.982   2.035
  176   HD12  ILE  23          HD12      ILE  23  97.758   3.166   0.778
  177   HD13  ILE  23          HD13      ILE  23  97.154   1.517   0.631
  178    H    SER  24           HN       SER  24  95.547  -1.127   3.184
  179    HA   SER  24           HA       SER  24  92.860  -2.197   3.632
  180    HB2  SER  24           HB2      SER  24  95.272  -3.548   2.397
  181    HB3  SER  24           HB1      SER  24  93.627  -4.181   2.435
  182    HG   SER  24           HG       SER  24  93.030  -2.779   0.923
  183    H    GLY  25           HN       GLY  25  96.203  -2.575   4.739
  184    HA2  GLY  25           HA2      GLY  25  96.770  -3.154   6.967
  185    HA3  GLY  25           HA1      GLY  25  95.190  -3.902   7.149
  186    H    ALA  26           HN       ALA  26  97.880  -4.309   4.834
  187    HA   ALA  26           HA       ALA  26  98.047  -7.130   5.636
  188    HB1  ALA  26           HB1      ALA  26  98.312  -7.730   3.206
  189    HB2  ALA  26           HB2      ALA  26  97.741  -6.106   2.820
  190    HB3  ALA  26           HB3      ALA  26  96.692  -7.226   3.690
  191    H    SER  27           HN       SER  27 100.074  -7.813   5.954
  192    HA   SER  27           HA       SER  27 102.269  -6.006   5.563
  193    HB2  SER  27           HB2      SER  27 102.872  -8.818   6.262
  194    HB3  SER  27           HB1      SER  27 103.413  -7.323   7.025
  195    HG   SER  27           HG       SER  27 101.280  -8.933   7.635
  196    H    GLN  28           HN       GLN  28 104.045  -6.245   4.212
  197    HA   GLN  28           HA       GLN  28 103.869  -8.308   2.124
  198    HB2  GLN  28           HB2      GLN  28 103.095  -5.810   1.584
  199    HB3  GLN  28           HB1      GLN  28 104.825  -5.597   1.354
  200    HG2  GLN  28           HG2      GLN  28 104.769  -6.596  -0.623
  201    HG3  GLN  28           HG1      GLN  28 103.882  -7.975   0.022
  202   HE21  GLN  28          HE21      GLN  28 101.537  -7.672   0.303
  203   HE22  GLN  28          HE22      GLN  28 100.691  -6.711  -0.857
  204    H    TRP  29           HN       TRP  29 105.949  -8.410   0.825
  205    HA   TRP  29           HA       TRP  29 108.283  -7.829   2.524
  206    HB2  TRP  29           HB2      TRP  29 107.578 -10.393   1.106
  207    HB3  TRP  29           HB1      TRP  29 109.238 -10.014   1.556
  208    HD1  TRP  29           HD1      TRP  29 106.077 -11.440   2.931
  209    HE1  TRP  29           HE1      TRP  29 106.356 -11.956   5.436
  210    HE3  TRP  29           HE3      TRP  29 110.488  -8.996   3.778
  211    HZ2  TRP  29           HZ2      TRP  29 108.201 -11.401   7.500
  212    HZ3  TRP  29           HZ3      TRP  29 111.441  -9.037   6.046
  213    HH2  TRP  29           HH2      TRP  29 110.319 -10.215   7.867
  214    H    GLU  30           HN       GLU  30 107.198  -8.646  -0.771
  215    HA   GLU  30           HA       GLU  30 109.619  -7.663  -1.974
  216    HB2  GLU  30           HB2      GLU  30 107.595  -9.371  -2.773
  217    HB3  GLU  30           HB1      GLU  30 107.310  -7.936  -3.747
  218    HG2  GLU  30           HG2      GLU  30 110.095  -8.918  -3.607
  219    HG3  GLU  30           HG1      GLU  30 108.937  -9.911  -4.490
  220    H    LYS  31           HN       LYS  31 110.012  -5.676  -2.811
  221    HA   LYS  31           HA       LYS  31 108.353  -3.499  -2.067
  222    HB2  LYS  31           HB2      LYS  31 110.893  -3.523  -2.427
  223    HB3  LYS  31           HB1      LYS  31 110.531  -3.358  -4.140
  224    HG2  LYS  31           HG2      LYS  31 109.177  -1.304  -3.497
  225    HG3  LYS  31           HG1      LYS  31 109.956  -1.421  -1.919
  226    HD2  LYS  31           HD2      LYS  31 111.437  -1.242  -4.541
  227    HD3  LYS  31           HD1      LYS  31 111.087   0.139  -3.500
  228    HE2  LYS  31           HE2      LYS  31 112.704  -0.400  -2.032
  229    HE3  LYS  31           HE1      LYS  31 112.351  -2.125  -2.130
  230    HZ1  LYS  31           HZ1      LYS  31 113.962  -0.533  -4.050
  231    HZ2  LYS  31           HZ2      LYS  31 113.531  -2.153  -4.283
  232    HZ3  LYS  31           HZ3      LYS  31 114.531  -1.722  -2.989
  233    HA   PRO  32           HA       PRO  32 105.582  -3.499  -5.550
  234    HB2  PRO  32           HB2      PRO  32 104.453  -1.072  -5.168
  235    HB3  PRO  32           HB1      PRO  32 104.088  -2.460  -4.136
  236    HG2  PRO  32           HG2      PRO  32 105.974  -0.183  -3.649
  237    HG3  PRO  32           HG1      PRO  32 104.804  -0.923  -2.539
  238    HD2  PRO  32           HD2      PRO  32 107.447  -1.517  -2.481
  239    HD3  PRO  32           HD1      PRO  32 106.192  -2.699  -2.058
  240    H    GLU  33           HN       GLU  33 104.871  -1.693  -7.241
  241    HA   GLU  33           HA       GLU  33 107.361  -0.749  -8.460
  242    HB2  GLU  33           HB2      GLU  33 105.657  -2.248  -9.666
  243    HB3  GLU  33           HB1      GLU  33 104.654  -0.808  -9.777
  244    HG2  GLU  33           HG2      GLU  33 106.900   0.202 -10.774
  245    HG3  GLU  33           HG1      GLU  33 107.165  -1.491 -11.188
  246    H    GLY  34           HN       GLY  34 106.452   0.776  -6.293
  247    HA2  GLY  34           HA2      GLY  34 106.406   3.366  -7.435
  248    HA3  GLY  34           HA1      GLY  34 104.793   2.932  -6.891
  249    H    PHE  35           HN       PHE  35 107.923   2.120  -5.413
  250    HA   PHE  35           HA       PHE  35 107.058   3.591  -3.008
  251    HB2  PHE  35           HB2      PHE  35 107.220   1.091  -2.793
  252    HB3  PHE  35           HB1      PHE  35 108.946   1.229  -3.103
  253    HD1  PHE  35           HD2      PHE  35 110.420   2.293  -1.456
  254    HD2  PHE  35           HD1      PHE  35 106.280   1.690  -0.682
  255    HE1  PHE  35           HE2      PHE  35 110.817   2.673   0.941
  256    HE2  PHE  35           HE1      PHE  35 106.670   2.069   1.716
  257    HZ   PHE  35           HZ       PHE  35 108.939   2.562   2.531
  258    H    GLN  36           HN       GLN  36 110.065   2.421  -4.553
  259    HA   GLN  36           HA       GLN  36 111.297   5.014  -3.894
  260    HB2  GLN  36           HB2      GLN  36 112.208   2.274  -3.334
  261    HB3  GLN  36           HB1      GLN  36 113.430   3.305  -4.063
  262    HG2  GLN  36           HG2      GLN  36 112.420   4.940  -2.140
  263    HG3  GLN  36           HG1      GLN  36 112.272   3.357  -1.377
  264   HE21  GLN  36          HE21      GLN  36 114.609   5.269  -3.249
  265   HE22  GLN  36          HE22      GLN  36 115.993   4.785  -2.336
  266    H    GLY  37           HN       GLY  37 110.965   5.930  -5.903
  267    HA2  GLY  37           HA2      GLY  37 112.256   4.562  -8.180
  268    HA3  GLY  37           HA1      GLY  37 110.891   5.654  -8.338
  269    H    ASP  38           HN       ASP  38 113.736   5.604  -9.412
  270    HA   ASP  38           HA       ASP  38 114.247   8.438  -8.930
  271    HB2  ASP  38           HB2      ASP  38 116.708   7.986  -8.711
  272    HB3  ASP  38           HB1      ASP  38 115.741   7.443  -7.345
  273    H    LEU  39           HN       LEU  39 113.735   9.053 -10.974
  274    HA   LEU  39           HA       LEU  39 115.547   8.153 -13.091
  275    HB2  LEU  39           HB2      LEU  39 112.773   7.499 -12.934
  276    HB3  LEU  39           HB1      LEU  39 112.994   8.608 -14.273
  277    HG   LEU  39           HG       LEU  39 114.518   6.026 -13.916
  278   HD11  LEU  39          HD11      LEU  39 112.151   6.702 -15.654
  279   HD12  LEU  39          HD12      LEU  39 112.212   5.518 -14.347
  280   HD13  LEU  39          HD13      LEU  39 113.136   5.249 -15.826
  281   HD21  LEU  39          HD21      LEU  39 115.827   7.566 -15.172
  282   HD22  LEU  39          HD22      LEU  39 114.431   8.070 -16.125
  283   HD23  LEU  39          HD23      LEU  39 115.094   6.447 -16.322
  284    H    LYS  40           HN       LYS  40 116.539  10.231 -12.565
  285    HA   LYS  40           HA       LYS  40 115.845  12.270 -14.362
  286    HB2  LYS  40           HB2      LYS  40 114.144  12.409 -12.270
  287    HB3  LYS  40           HB1      LYS  40 115.460  13.390 -11.641
  288    HG2  LYS  40           HG2      LYS  40 115.325  14.686 -13.831
  289    HG3  LYS  40           HG1      LYS  40 113.790  13.857 -14.092
  290    HD2  LYS  40           HD2      LYS  40 114.176  15.153 -11.455
  291    HD3  LYS  40           HD1      LYS  40 113.987  16.223 -12.845
  292    HE2  LYS  40           HE2      LYS  40 111.813  15.885 -11.992
  293    HE3  LYS  40           HE1      LYS  40 111.926  14.878 -13.434
  294    HZ1  LYS  40           HZ1      LYS  40 112.414  13.829 -10.704
  295    HZ2  LYS  40           HZ2      LYS  40 112.163  12.947 -12.125
  296    HZ3  LYS  40           HZ3      LYS  40 110.887  13.812 -11.432
  297    H    LYS  41           HN       LYS  41 117.315  14.094 -14.285
  298    HA   LYS  41           HA       LYS  41 119.378  15.024 -14.075
  299    HB2  LYS  41           HB2      LYS  41 118.490  14.376 -11.407
  300    HB3  LYS  41           HB1      LYS  41 120.238  14.244 -11.508
  301    HG2  LYS  41           HG2      LYS  41 118.592  16.656 -12.243
  302    HG3  LYS  41           HG1      LYS  41 119.577  16.460 -10.793
  303    HD2  LYS  41           HD2      LYS  41 120.975  16.021 -13.351
  304    HD3  LYS  41           HD1      LYS  41 120.435  17.674 -13.052
  305    HE2  LYS  41           HE2      LYS  41 121.582  17.620 -10.867
  306    HE3  LYS  41           HE1      LYS  41 122.166  15.998 -11.235
  307    HZ1  LYS  41           HZ1      LYS  41 123.597  18.140 -11.730
  308    HZ2  LYS  41           HZ2      LYS  41 122.729  18.108 -13.180
  309    HZ3  LYS  41           HZ3      LYS  41 123.668  16.777 -12.728
  310    H    THR  42           HN       THR  42 121.704  14.177 -12.698
  311    HA   THR  42           HA       THR  42 122.805  12.363 -14.503
  312    HB   THR  42           HB       THR  42 124.721  12.217 -12.957
  313    HG1  THR  42           HG1      THR  42 122.879  13.348 -11.164
  314   HG21  THR  42          HG21      THR  42 125.096  14.126 -14.095
  315   HG22  THR  42          HG22      THR  42 124.872  14.823 -12.490
  316   HG23  THR  42          HG23      THR  42 123.543  14.832 -13.651
  317    H    ALA  43           HN       ALA  43 123.159  10.187 -14.512
  318    HA   ALA  43           HA       ALA  43 121.333   8.518 -13.192
  319    HB1  ALA  43           HB1      ALA  43 123.917   7.751 -14.537
  320    HB2  ALA  43           HB2      ALA  43 122.355   7.950 -15.332
  321    HB3  ALA  43           HB3      ALA  43 122.584   6.663 -14.148
  322    H    VAL  44           HN       VAL  44 121.836   6.677 -11.777
  323    HA   VAL  44           HA       VAL  44 123.243   7.555  -9.451
  324    HB   VAL  44           HB       VAL  44 121.175   6.222  -9.294
  325   HG11  VAL  44          HG11      VAL  44 121.442   3.709  -9.601
  326   HG12  VAL  44          HG12      VAL  44 122.882   4.089 -10.544
  327   HG13  VAL  44          HG13      VAL  44 121.306   4.685 -11.063
  328   HG21  VAL  44          HG21      VAL  44 121.893   4.753  -7.489
  329   HG22  VAL  44          HG22      VAL  44 122.748   6.293  -7.414
  330   HG23  VAL  44          HG23      VAL  44 123.563   4.863  -8.045
  331    H    LYS  45           HN       LYS  45 125.061   6.694  -8.478
  332    HA   LYS  45           HA       LYS  45 126.771   5.033 -10.204
  333    HB2  LYS  45           HB2      LYS  45 128.703   6.174  -9.175
  334    HB3  LYS  45           HB1      LYS  45 127.649   7.291 -10.030
  335    HG2  LYS  45           HG2      LYS  45 126.751   7.210  -7.356
  336    HG3  LYS  45           HG1      LYS  45 128.508   7.350  -7.309
  337    HD2  LYS  45           HD2      LYS  45 127.927   9.151  -9.238
  338    HD3  LYS  45           HD1      LYS  45 126.472   9.268  -8.245
  339    HE2  LYS  45           HE2      LYS  45 127.868   9.660  -6.265
  340    HE3  LYS  45           HE1      LYS  45 129.314   9.565  -7.270
  341    HZ1  LYS  45           HZ1      LYS  45 128.457  11.486  -8.533
  342    HZ2  LYS  45           HZ2      LYS  45 128.746  11.850  -6.907
  343    HZ3  LYS  45           HZ3      LYS  45 127.163  11.606  -7.449
  344    H    THR  46           HN       THR  46 128.108   3.485  -9.200
  345    HA   THR  46           HA       THR  46 128.443   1.696  -7.847
  346    HB   THR  46           HB       THR  46 129.636   3.530  -6.638
  347    HG1  THR  46           HG1      THR  46 130.068   1.592  -5.805
  348   HG21  THR  46          HG21      THR  46 128.635   4.082  -4.362
  349   HG22  THR  46          HG22      THR  46 127.084   3.638  -5.076
  350   HG23  THR  46          HG23      THR  46 128.027   4.961  -5.763
  351    H    VAL  47           HN       VAL  47 127.654   0.755  -5.495
  352    HA   VAL  47           HA       VAL  47 124.751   1.001  -5.285
  353    HB   VAL  47           HB       VAL  47 126.013  -1.723  -5.567
  354   HG11  VAL  47          HG11      VAL  47 123.222  -1.448  -6.275
  355   HG12  VAL  47          HG12      VAL  47 123.536  -0.908  -4.626
  356   HG13  VAL  47          HG13      VAL  47 123.994  -2.537  -5.123
  357   HG21  VAL  47          HG21      VAL  47 124.664  -0.073  -7.701
  358   HG22  VAL  47          HG22      VAL  47 125.066  -1.784  -7.850
  359   HG23  VAL  47          HG23      VAL  47 126.350  -0.589  -7.672
  360    H    TRP  48           HN       TRP  48 126.993   1.742  -3.570
  361    HA   TRP  48           HA       TRP  48 126.453  -0.016  -1.267
  362    HB2  TRP  48           HB2      TRP  48 128.946   1.570  -1.908
  363    HB3  TRP  48           HB1      TRP  48 128.668   0.734  -0.384
  364    HD1  TRP  48           HD1      TRP  48 129.060  -0.082  -4.151
  365    HE1  TRP  48           HE1      TRP  48 130.047  -2.449  -4.356
  366    HE3  TRP  48           HE3      TRP  48 129.075  -1.389   0.795
  367    HZ2  TRP  48           HZ2      TRP  48 130.740  -4.587  -2.648
  368    HZ3  TRP  48           HZ3      TRP  48 129.912  -3.615   1.423
  369    HH2  TRP  48           HH2      TRP  48 130.727  -5.180  -0.264
  370    H    VAL  49           HN       VAL  49 125.965   0.913   0.696
  371    HA   VAL  49           HA       VAL  49 125.266   3.767   0.599
  372    HB   VAL  49           HB       VAL  49 123.399   2.231   1.079
  373   HG11  VAL  49          HG11      VAL  49 123.433   0.604   2.620
  374   HG12  VAL  49          HG12      VAL  49 124.259   1.611   3.809
  375   HG13  VAL  49          HG13      VAL  49 125.185   0.792   2.553
  376   HG21  VAL  49          HG21      VAL  49 123.771   3.604   3.676
  377   HG22  VAL  49          HG22      VAL  49 122.416   3.653   2.549
  378   HG23  VAL  49          HG23      VAL  49 123.866   4.601   2.224
  379    H    GLU  50           HN       GLU  50 126.041   5.208   2.097
  380    HA   GLU  50           HA       GLU  50 128.327   4.311   3.665
  381    HB2  GLU  50           HB2      GLU  50 128.406   6.353   2.188
  382    HB3  GLU  50           HB1      GLU  50 127.291   7.129   3.303
  383    HG2  GLU  50           HG2      GLU  50 129.726   5.978   4.502
  384    HG3  GLU  50           HG1      GLU  50 129.957   7.368   3.444
  385    H    GLY  51           HN       GLY  51 128.184   3.849   5.752
  386    HA2  GLY  51           HA2      GLY  51 125.951   5.009   7.300
  387    HA3  GLY  51           HA1      GLY  51 126.556   3.381   7.555
  388    H    LEU  52           HN       LEU  52 126.315   5.411   9.554
  389    HA   LEU  52           HA       LEU  52 129.136   6.013  10.136
  390    HB2  LEU  52           HB2      LEU  52 127.274   7.835  10.025
  391    HB3  LEU  52           HB1      LEU  52 126.836   7.236  11.613
  392    HG   LEU  52           HG       LEU  52 129.195   7.700  12.351
  393   HD11  LEU  52          HD11      LEU  52 129.794   7.870   9.731
  394   HD12  LEU  52          HD12      LEU  52 130.753   8.621  11.006
  395   HD13  LEU  52          HD13      LEU  52 129.572   9.577  10.111
  396   HD21  LEU  52          HD21      LEU  52 128.775  10.316  12.052
  397   HD22  LEU  52          HD22      LEU  52 127.835   9.323  13.165
  398   HD23  LEU  52          HD23      LEU  52 127.180   9.727  11.578
  399    H    SER  53           HN       SER  53 130.097   5.273  11.963
  400    HA   SER  53           HA       SER  53 128.463   3.707  13.846
  401    HB2  SER  53           HB2      SER  53 130.359   2.661  12.069
  402    HB3  SER  53           HB1      SER  53 131.173   2.700  13.633
  403    HG   SER  53           HG       SER  53 128.644   1.523  13.089
  404    H    GLU  54           HN       GLU  54 129.240   3.599  16.001
  405    HA   GLU  54           HA       GLU  54 130.082   5.932  17.152
  406    HB2  GLU  54           HB2      GLU  54 129.878   3.140  18.009
  407    HB3  GLU  54           HB1      GLU  54 131.084   4.059  18.903
  408    HG2  GLU  54           HG2      GLU  54 129.542   5.376  19.908
  409    HG3  GLU  54           HG1      GLU  54 128.447   5.343  18.528
  410    H    ASP  55           HN       ASP  55 132.024   6.622  18.157
  411    HA   ASP  55           HA       ASP  55 134.231   7.091  18.283
  412    HB2  ASP  55           HB2      ASP  55 134.239   4.191  17.692
  413    HB3  ASP  55           HB1      ASP  55 135.749   5.046  17.397
  414    H    GLY  56           HN       GLY  56 132.592   7.100  15.569
  415    HA2  GLY  56           HA2      GLY  56 132.991   8.159  13.565
  416    HA3  GLY  56           HA1      GLY  56 134.633   8.451  14.102
  417    H    PHE  57           HN       PHE  57 132.571   5.744  13.026
  418    HA   PHE  57           HA       PHE  57 134.795   4.864  11.310
  419    HB2  PHE  57           HB2      PHE  57 133.002   3.034  12.925
  420    HB3  PHE  57           HB1      PHE  57 134.239   2.516  11.789
  421    HD1  PHE  57           HD1      PHE  57 136.566   4.027  12.380
  422    HD2  PHE  57           HD2      PHE  57 133.612   2.556  15.066
  423    HE1  PHE  57           HE1      PHE  57 138.221   4.039  14.201
  424    HE2  PHE  57           HE2      PHE  57 135.256   2.568  16.891
  425    HZ   PHE  57           HZ       PHE  57 137.566   3.309  16.461
  426    H    THR  58           HN       THR  58 134.088   5.260   9.305
  427    HA   THR  58           HA       THR  58 131.289   5.111   8.629
  428    HB   THR  58           HB       THR  58 133.714   5.612   6.890
  429    HG1  THR  58           HG1      THR  58 133.431   7.267   8.364
  430   HG21  THR  58          HG21      THR  58 132.365   5.452   5.145
  431   HG22  THR  58          HG22      THR  58 131.499   6.857   5.768
  432   HG23  THR  58          HG23      THR  58 130.952   5.231   6.176
  433    H    TYR  59           HN       TYR  59 130.266   3.336   8.037
  434    HA   TYR  59           HA       TYR  59 131.817   1.105   6.906
  435    HB2  TYR  59           HB2      TYR  59 130.294  -0.434   7.900
  436    HB3  TYR  59           HB1      TYR  59 130.729   0.724   9.149
  437    HD1  TYR  59           HD1      TYR  59 129.088   2.330   9.984
  438    HD2  TYR  59           HD2      TYR  59 128.047  -0.528   7.009
  439    HE1  TYR  59           HE1      TYR  59 126.705   2.770  10.402
  440    HE2  TYR  59           HE2      TYR  59 125.664  -0.094   7.417
  441    HH   TYR  59           HH       TYR  59 124.343   2.121   8.437
  442    H    TYR  60           HN       TYR  60 131.013  -0.018   5.114
  443    HA   TYR  60           HA       TYR  60 128.793   1.326   3.707
  444    HB2  TYR  60           HB2      TYR  60 131.303   0.102   2.542
  445    HB3  TYR  60           HB1      TYR  60 129.944   0.680   1.586
  446    HD1  TYR  60           HD1      TYR  60 129.241   3.191   2.108
  447    HD2  TYR  60           HD2      TYR  60 133.087   1.538   2.873
  448    HE1  TYR  60           HE1      TYR  60 130.212   5.449   2.080
  449    HE2  TYR  60           HE2      TYR  60 134.067   3.792   2.849
  450    HH   TYR  60           HH       TYR  60 132.923   6.282   1.541
  451    H    TYR  61           HN       TYR  61 127.268   0.064   2.695
  452    HA   TYR  61           HA       TYR  61 127.525  -2.857   3.009
  453    HB2  TYR  61           HB2      TYR  61 126.015  -1.854   4.717
  454    HB3  TYR  61           HB1      TYR  61 125.004  -1.233   3.417
  455    HD1  TYR  61           HD1      TYR  61 123.751  -2.834   1.964
  456    HD2  TYR  61           HD2      TYR  61 125.850  -4.110   5.441
  457    HE1  TYR  61           HE1      TYR  61 122.465  -4.929   1.965
  458    HE2  TYR  61           HE2      TYR  61 124.569  -6.209   5.450
  459    HH   TYR  61           HH       TYR  61 121.780  -6.674   3.652
  460    H    ASN  62           HN       ASN  62 126.628  -4.141   1.393
  461    HA   ASN  62           HA       ASN  62 125.816  -2.709  -1.055
  462    HB2  ASN  62           HB2      ASN  62 127.987  -3.944  -1.171
  463    HB3  ASN  62           HB1      ASN  62 127.108  -5.437  -0.867
  464   HD21  ASN  62          HD21      ASN  62 128.332  -5.798  -2.985
  465   HD22  ASN  62          HD22      ASN  62 127.444  -5.467  -4.430
  466    H    THR  63           HN       THR  63 123.826  -3.059  -1.798
  467    HA   THR  63           HA       THR  63 122.073  -4.899  -0.464
  468    HB   THR  63           HB       THR  63 120.335  -4.045  -1.924
  469    HG1  THR  63           HG1      THR  63 122.384  -2.656  -3.312
  470   HG21  THR  63          HG21      THR  63 120.584  -2.511  -0.230
  471   HG22  THR  63          HG22      THR  63 120.757  -1.514  -1.673
  472   HG23  THR  63          HG23      THR  63 122.188  -2.013  -0.770
  473    H    GLU  64           HN       GLU  64 124.006  -4.983  -3.344
  474    HA   GLU  64           HA       GLU  64 122.656  -6.851  -4.891
  475    HB2  GLU  64           HB2      GLU  64 124.735  -5.517  -5.484
  476    HB3  GLU  64           HB1      GLU  64 125.656  -6.734  -4.613
  477    HG2  GLU  64           HG2      GLU  64 125.197  -8.385  -6.167
  478    HG3  GLU  64           HG1      GLU  64 123.784  -7.540  -6.797
  479    H    THR  65           HN       THR  65 125.392  -7.565  -2.700
  480    HA   THR  65           HA       THR  65 124.589 -10.369  -2.626
  481    HB   THR  65           HB       THR  65 126.706 -10.758  -1.457
  482    HG1  THR  65           HG1      THR  65 127.145  -7.964  -1.663
  483   HG21  THR  65          HG21      THR  65 126.533  -9.692  -4.086
  484   HG22  THR  65          HG22      THR  65 127.676 -10.865  -3.431
  485   HG23  THR  65          HG23      THR  65 128.031  -9.141  -3.337
  486    H    GLY  66           HN       GLY  66 124.869  -7.586  -0.474
  487    HA2  GLY  66           HA2      GLY  66 123.508  -7.211   1.406
  488    HA3  GLY  66           HA1      GLY  66 123.091  -8.919   1.418
  489    H    GLU  67           HN       GLU  67 126.226  -7.206   1.485
  490    HA   GLU  67           HA       GLU  67 126.743  -8.413   4.113
  491    HB2  GLU  67           HB2      GLU  67 127.800  -9.566   1.953
  492    HB3  GLU  67           HB1      GLU  67 129.003  -8.304   2.179
  493    HG2  GLU  67           HG2      GLU  67 129.886  -9.294   3.981
  494    HG3  GLU  67           HG1      GLU  67 128.312  -9.757   4.624
  495    H    SER  68           HN       SER  68 127.852  -7.164   5.528
  496    HA   SER  68           HA       SER  68 128.172  -4.383   4.878
  497    HB2  SER  68           HB2      SER  68 129.185  -4.497   7.350
  498    HB3  SER  68           HB1      SER  68 127.448  -4.534   7.051
  499    HG   SER  68           HG       SER  68 129.159  -6.752   7.515
  500    H    ARG  69           HN       ARG  69 130.036  -3.225   4.665
  501    HA   ARG  69           HA       ARG  69 132.593  -4.665   4.813
  502    HB2  ARG  69           HB2      ARG  69 131.459  -4.247   2.431
  503    HB3  ARG  69           HB1      ARG  69 132.219  -2.674   2.629
  504    HG2  ARG  69           HG2      ARG  69 133.869  -3.800   1.528
  505    HG3  ARG  69           HG1      ARG  69 134.334  -4.118   3.199
  506    HD2  ARG  69           HD2      ARG  69 134.453  -6.229   2.306
  507    HD3  ARG  69           HD1      ARG  69 132.799  -6.215   2.915
  508    HE   ARG  69           HE       ARG  69 132.902  -5.336   0.216
  509   HH11  ARG  69          HH11      ARG  69 133.049  -8.222   2.194
  510   HH12  ARG  69          HH12      ARG  69 132.453  -9.259   0.944
  511   HH21  ARG  69          HH21      ARG  69 132.113  -6.714  -1.431
  512   HH22  ARG  69          HH22      ARG  69 131.923  -8.405  -1.110
  513    H    TRP  70           HN       TRP  70 134.470  -3.251   5.018
  514    HA   TRP  70           HA       TRP  70 133.802  -0.580   6.074
  515    HB2  TRP  70           HB2      TRP  70 135.832  -2.523   7.207
  516    HB3  TRP  70           HB1      TRP  70 135.570  -0.879   7.778
  517    HD1  TRP  70           HD1      TRP  70 133.772  -4.289   7.628
  518    HE1  TRP  70           HE1      TRP  70 132.022  -4.363   9.511
  519    HE3  TRP  70           HE3      TRP  70 134.203   0.515   9.333
  520    HZ2  TRP  70           HZ2      TRP  70 130.964  -2.620  11.463
  521    HZ3  TRP  70           HZ3      TRP  70 132.784   1.230  11.212
  522    HH2  TRP  70           HH2      TRP  70 131.198  -0.307  12.253
  523    H    GLU  71           HN       GLU  71 134.654  -1.283   3.413
  524    HA   GLU  71           HA       GLU  71 137.035   0.391   3.256
  525    HB2  GLU  71           HB2      GLU  71 136.878  -2.463   2.393
  526    HB3  GLU  71           HB1      GLU  71 137.771  -1.342   1.374
  527    HG2  GLU  71           HG2      GLU  71 138.446  -1.109   4.198
  528    HG3  GLU  71           HG1      GLU  71 138.766  -2.708   3.532
  529    H    LYS  72           HN       LYS  72 136.699   1.924   1.776
  530    HA   LYS  72           HA       LYS  72 134.387   2.072   0.200
  531    HB2  LYS  72           HB2      LYS  72 135.454   4.001  -0.887
  532    HB3  LYS  72           HB1      LYS  72 135.631   4.059   0.861
  533    HG2  LYS  72           HG2      LYS  72 137.922   2.792   0.169
  534    HG3  LYS  72           HG1      LYS  72 137.667   3.819  -1.242
  535    HD2  LYS  72           HD2      LYS  72 137.209   5.220   1.269
  536    HD3  LYS  72           HD1      LYS  72 138.847   4.578   1.136
  537    HE2  LYS  72           HE2      LYS  72 137.501   6.248  -0.983
  538    HE3  LYS  72           HE1      LYS  72 138.575   6.897   0.255
  539    HZ1  LYS  72           HZ1      LYS  72 140.404   5.869  -0.668
  540    HZ2  LYS  72           HZ2      LYS  72 139.526   6.290  -2.050
  541    HZ3  LYS  72           HZ3      LYS  72 139.493   4.699  -1.482
  542    HA   PRO  73           HA       PRO  73 135.631  -0.869  -2.987
  543    HB2  PRO  73           HB2      PRO  73 133.133   0.100  -4.247
  544    HB3  PRO  73           HB1      PRO  73 133.622  -1.548  -3.842
  545    HG2  PRO  73           HG2      PRO  73 131.751  -0.287  -2.426
  546    HG3  PRO  73           HG1      PRO  73 132.932  -1.348  -1.635
  547    HD2  PRO  73           HD2      PRO  73 132.869   1.645  -1.785
  548    HD3  PRO  73           HD1      PRO  73 133.273   0.596  -0.409
  549    H    ASP  74           HN       ASP  74 135.438  -0.717  -5.546
  550    HA   ASP  74           HA       ASP  74 136.295   1.979  -6.365
  551    HB2  ASP  74           HB2      ASP  74 137.970  -0.188  -6.171
  552    HB3  ASP  74           HB1      ASP  74 137.501  -0.235  -7.868
  553    H    ASP  75           HN       ASP  75 136.200   2.337  -8.743
  554    HA   ASP  75           HA       ASP  75 134.062   0.782 -10.029
  555    HB2  ASP  75           HB2      ASP  75 133.581   3.245  -9.033
  556    HB3  ASP  75           HB1      ASP  75 134.160   3.682 -10.636
  Start of MODEL   13
    1    H1   ASP   1           HT1      ASP   1  97.950   0.717 -15.565
    2    H2   ASP   1           HT2      ASP   1  96.998   2.106 -15.232
    3    H3   ASP   1           HT3      ASP   1  96.308   0.540 -15.103
    4    HA   ASP   1           HA       ASP   1  96.707   1.222 -12.954
    5    HB2  ASP   1           HB2      ASP   1  98.650  -0.730 -14.128
    6    HB3  ASP   1           HB1      ASP   1  98.816  -0.295 -12.431
    7    HA   PRO   2           HA       PRO   2  99.641   4.360 -11.973
    8    HB2  PRO   2           HB2      PRO   2 100.385   3.746  -9.433
    9    HB3  PRO   2           HB1      PRO   2  98.789   4.390  -9.837
   10    HG2  PRO   2           HG2      PRO   2  99.616   1.557  -9.332
   11    HG3  PRO   2           HG1      PRO   2  98.176   2.421  -8.761
   12    HD2  PRO   2           HD2      PRO   2  98.113   0.720 -10.863
   13    HD3  PRO   2           HD1      PRO   2  97.066   2.150 -10.764
   14    H    SER   3           HN       SER   3 101.670   4.660 -12.633
   15    HA   SER   3           HA       SER   3 103.494   2.471 -12.909
   16    HB2  SER   3           HB2      SER   3 103.493   5.359 -13.634
   17    HB3  SER   3           HB1      SER   3 105.058   4.555 -13.500
   18    HG   SER   3           HG       SER   3 104.436   3.113 -15.072
   19    H    LYS   4           HN       LYS   4 103.178   5.206 -10.713
   20    HA   LYS   4           HA       LYS   4 105.519   4.242  -9.209
   21    HB2  LYS   4           HB2      LYS   4 104.298   6.954  -9.558
   22    HB3  LYS   4           HB1      LYS   4 105.180   6.598  -8.080
   23    HG2  LYS   4           HG2      LYS   4 106.950   7.332  -9.232
   24    HG3  LYS   4           HG1      LYS   4 106.936   5.717  -9.945
   25    HD2  LYS   4           HD2      LYS   4 105.309   6.747 -11.670
   26    HD3  LYS   4           HD1      LYS   4 105.916   8.297 -11.084
   27    HE2  LYS   4           HE2      LYS   4 108.044   7.922 -11.889
   28    HE3  LYS   4           HE1      LYS   4 107.856   6.169 -11.870
   29    HZ1  LYS   4           HZ1      LYS   4 106.210   6.490 -13.726
   30    HZ2  LYS   4           HZ2      LYS   4 107.821   6.826 -14.117
   31    HZ3  LYS   4           HZ3      LYS   4 106.741   8.094 -13.828
   32    H    GLY   5           HN       GLY   5 105.358   4.520  -6.804
   33    HA2  GLY   5           HA2      GLY   5 102.634   4.362  -5.748
   34    HA3  GLY   5           HA1      GLY   5 103.660   2.953  -5.531
   35    H    ARG   6           HN       ARG   6 102.452   5.329  -3.830
   36    HA   ARG   6           HA       ARG   6 104.889   6.188  -2.471
   37    HB2  ARG   6           HB2      ARG   6 101.993   6.994  -2.200
   38    HB3  ARG   6           HB1      ARG   6 103.231   7.533  -1.074
   39    HG2  ARG   6           HG2      ARG   6 103.964   7.970  -3.857
   40    HG3  ARG   6           HG1      ARG   6 102.483   8.807  -3.385
   41    HD2  ARG   6           HD2      ARG   6 104.194   9.234  -1.253
   42    HD3  ARG   6           HD1      ARG   6 105.246   9.352  -2.662
   43    HE   ARG   6           HE       ARG   6 103.143  10.895  -3.351
   44   HH11  ARG   6          HH11      ARG   6 105.200  10.829  -0.511
   45   HH12  ARG   6          HH12      ARG   6 105.019  12.521  -0.193
   46   HH21  ARG   6          HH21      ARG   6 102.912  13.121  -2.923
   47   HH22  ARG   6          HH22      ARG   6 103.721  13.822  -1.562
   48    H    TRP   7           HN       TRP   7 105.511   4.194  -1.578
   49    HA   TRP   7           HA       TRP   7 103.752   3.133   0.527
   50    HB2  TRP   7           HB2      TRP   7 106.106   1.819  -0.846
   51    HB3  TRP   7           HB1      TRP   7 105.093   1.075   0.387
   52    HD1  TRP   7           HD1      TRP   7 105.088   2.056  -3.302
   53    HE1  TRP   7           HE1      TRP   7 103.093   0.913  -4.458
   54    HE3  TRP   7           HE3      TRP   7 102.738   0.159   0.822
   55    HZ2  TRP   7           HZ2      TRP   7 100.823  -0.594  -3.719
   56    HZ3  TRP   7           HZ3      TRP   7 100.660  -1.119   0.512
   57    HH2  TRP   7           HH2      TRP   7  99.723  -1.487  -1.712
   58    H    VAL   8           HN       VAL   8 104.341   3.245   2.608
   59    HA   VAL   8           HA       VAL   8 106.963   4.428   3.215
   60    HB   VAL   8           HB       VAL   8 104.839   4.176   5.301
   61   HG11  VAL   8          HG11      VAL   8 105.870   6.627   5.590
   62   HG12  VAL   8          HG12      VAL   8 107.217   5.849   4.759
   63   HG13  VAL   8          HG13      VAL   8 106.615   5.184   6.277
   64   HG21  VAL   8          HG21      VAL   8 103.461   5.051   3.621
   65   HG22  VAL   8          HG22      VAL   8 104.744   6.072   2.973
   66   HG23  VAL   8          HG23      VAL   8 104.002   6.466   4.524
   67    H    GLU   9           HN       GLU   9 108.464   3.326   4.354
   68    HA   GLU   9           HA       GLU   9 107.850   0.568   5.054
   69    HB2  GLU   9           HB2      GLU   9 109.887   1.070   3.754
   70    HB3  GLU   9           HB1      GLU   9 110.497   2.030   5.095
   71    HG2  GLU   9           HG2      GLU   9 109.788  -0.553   6.066
   72    HG3  GLU   9           HG1      GLU   9 110.793  -0.740   4.633
   73    H    GLY  10           HN       GLY  10 107.582  -0.175   7.038
   74    HA2  GLY  10           HA2      GLY  10 108.481   1.463   9.312
   75    HA3  GLY  10           HA1      GLY  10 106.825   0.881   9.250
   76    H    ILE  11           HN       ILE  11 108.969   0.357  11.207
   77    HA   ILE  11           HA       ILE  11 109.498  -2.497  10.833
   78    HB   ILE  11           HB       ILE  11 110.405  -0.745  13.118
   79   HG12  ILE  11          HG12      ILE  11 111.237   0.186  11.008
   80   HG13  ILE  11          HG11      ILE  11 112.551  -0.534  11.930
   81   HG21  ILE  11          HG21      ILE  11 110.395  -3.353  13.187
   82   HG22  ILE  11          HG22      ILE  11 111.802  -2.459  13.760
   83   HG23  ILE  11          HG23      ILE  11 111.818  -3.193  12.157
   84   HD11  ILE  11          HD11      ILE  11 112.695  -2.375  10.478
   85   HD12  ILE  11          HD12      ILE  11 112.530  -0.959   9.440
   86   HD13  ILE  11          HD13      ILE  11 111.142  -2.007   9.729
   87    H    THR  12           HN       THR  12 108.282  -4.025  11.781
   88    HA   THR  12           HA       THR  12 106.732  -3.322  14.175
   89    HB   THR  12           HB       THR  12 105.031  -5.066  13.020
   90    HG1  THR  12           HG1      THR  12 106.261  -5.131  11.079
   91   HG21  THR  12          HG21      THR  12 104.855  -2.473  13.721
   92   HG22  THR  12          HG22      THR  12 103.567  -3.378  12.927
   93   HG23  THR  12          HG23      THR  12 104.642  -2.354  11.976
   94    H    SER  13           HN       SER  13 106.341  -5.017  15.630
   95    HA   SER  13           HA       SER  13 106.818  -6.911  16.784
   96    HB2  SER  13           HB2      SER  13 105.888  -7.779  14.422
   97    HB3  SER  13           HB1      SER  13 107.515  -8.452  14.332
   98    HG   SER  13           HG       SER  13 105.818  -9.785  15.360
   99    H    GLU  14           HN       GLU  14 108.748  -9.002  15.874
  100    HA   GLU  14           HA       GLU  14 111.063  -8.065  17.099
  101    HB2  GLU  14           HB2      GLU  14 110.368 -10.421  15.435
  102    HB3  GLU  14           HB1      GLU  14 112.078 -10.053  15.620
  103    HG2  GLU  14           HG2      GLU  14 111.122  -9.850  18.185
  104    HG3  GLU  14           HG1      GLU  14 110.197 -11.192  17.515
  105    H    GLY  15           HN       GLY  15 110.032  -7.733  13.779
  106    HA2  GLY  15           HA2      GLY  15 111.583  -5.676  13.020
  107    HA3  GLY  15           HA1      GLY  15 112.682  -7.035  12.827
  108    H    TYR  16           HN       TYR  16 109.189  -6.850  12.205
  109    HA   TYR  16           HA       TYR  16 109.657  -7.880   9.514
  110    HB2  TYR  16           HB2      TYR  16 107.233  -7.665  11.284
  111    HB3  TYR  16           HB1      TYR  16 107.063  -7.966   9.557
  112    HD1  TYR  16           HD2      TYR  16 108.352  -9.333  12.732
  113    HD2  TYR  16           HD1      TYR  16 107.591 -10.098   8.616
  114    HE1  TYR  16           HE2      TYR  16 108.720 -11.736  13.115
  115    HE2  TYR  16           HE1      TYR  16 107.956 -12.499   8.987
  116    HH   TYR  16           HH       TYR  16 107.725 -14.025  11.513
  117    H    HIS  17           HN       HIS  17 109.987  -6.417   7.976
  118    HA   HIS  17           HA       HIS  17 109.174  -3.695   8.253
  119    HB2  HIS  17           HB2      HIS  17 110.275  -5.160   5.844
  120    HB3  HIS  17           HB1      HIS  17 110.091  -3.414   5.973
  121    HD1  HIS  17           HD1      HIS  17 112.747  -3.457   5.515
  122    HD2  HIS  17           HD2      HIS  17 111.491  -4.922   9.195
  123    HE1  HIS  17           HE1      HIS  17 114.802  -3.490   6.962
  124    HE2  HIS  17           HE2      HIS  17 114.038  -4.485   9.148
  125    H    TYR  18           HN       TYR  18 107.216  -2.952   7.938
  126    HA   TYR  18           HA       TYR  18 105.461  -4.301   6.001
  127    HB2  TYR  18           HB2      TYR  18 103.583  -3.711   7.289
  128    HB3  TYR  18           HB1      TYR  18 104.778  -4.226   8.472
  129    HD1  TYR  18           HD2      TYR  18 105.978  -2.501   9.832
  130    HD2  TYR  18           HD1      TYR  18 102.718  -1.501   7.288
  131    HE1  TYR  18           HE2      TYR  18 105.710  -0.368  11.024
  132    HE2  TYR  18           HE1      TYR  18 102.441   0.635   8.472
  133    HH   TYR  18           HH       TYR  18 103.013   1.523  10.833
  134    H    TYR  19           HN       TYR  19 104.139  -3.000   4.635
  135    HA   TYR  19           HA       TYR  19 105.116  -0.237   4.345
  136    HB2  TYR  19           HB2      TYR  19 104.371  -2.123   2.100
  137    HB3  TYR  19           HB1      TYR  19 104.930  -0.464   1.917
  138    HD1  TYR  19           HD2      TYR  19 107.266  -0.003   3.162
  139    HD2  TYR  19           HD1      TYR  19 105.930  -3.797   1.773
  140    HE1  TYR  19           HE2      TYR  19 109.592  -0.797   3.102
  141    HE2  TYR  19           HE1      TYR  19 108.249  -4.601   1.722
  142    HH   TYR  19           HH       TYR  19 110.436  -4.008   2.887
  143    H    TYR  20           HN       TYR  20 103.639   1.318   3.625
  144    HA   TYR  20           HA       TYR  20 100.827   0.482   3.520
  145    HB2  TYR  20           HB2      TYR  20 101.157   1.278   5.780
  146    HB3  TYR  20           HB1      TYR  20 101.950   2.737   5.195
  147    HD1  TYR  20           HD1      TYR  20 100.645   4.547   4.196
  148    HD2  TYR  20           HD2      TYR  20  98.746   1.055   5.716
  149    HE1  TYR  20           HE1      TYR  20  98.479   5.707   4.134
  150    HE2  TYR  20           HE2      TYR  20  96.573   2.207   5.661
  151    HH   TYR  20           HH       TYR  20  96.205   5.441   5.434
  152    H    ASP  21           HN       ASP  21  99.561   1.565   2.095
  153    HA   ASP  21           HA       ASP  21 100.894   3.593   0.426
  154    HB2  ASP  21           HB2      ASP  21 100.209   1.426  -0.668
  155    HB3  ASP  21           HB1      ASP  21  98.537   1.863  -0.344
  156    H    LEU  22           HN       LEU  22 100.105   5.599   0.446
  157    HA   LEU  22           HA       LEU  22  97.726   6.180   1.986
  158    HB2  LEU  22           HB2      LEU  22  98.316   8.586   1.291
  159    HB3  LEU  22           HB1      LEU  22  99.354   7.752   2.426
  160    HG   LEU  22           HG       LEU  22 100.129   7.546  -0.425
  161   HD11  LEU  22          HD11      LEU  22  99.977  10.133   1.058
  162   HD12  LEU  22          HD12      LEU  22  99.648   9.786  -0.639
  163   HD13  LEU  22          HD13      LEU  22 101.312   9.838  -0.058
  164   HD21  LEU  22          HD21      LEU  22 101.273   6.982   2.026
  165   HD22  LEU  22          HD22      LEU  22 102.077   8.471   1.527
  166   HD23  LEU  22          HD23      LEU  22 102.110   7.054   0.477
  167    H    ILE  23           HN       ILE  23  98.647   6.105  -1.398
  168    HA   ILE  23           HA       ILE  23  96.607   7.640  -2.517
  169    HB   ILE  23           HB       ILE  23  97.771   5.125  -3.720
  170   HG12  ILE  23          HG12      ILE  23  98.843   7.728  -4.568
  171   HG13  ILE  23          HG11      ILE  23  99.199   7.319  -2.894
  172   HG21  ILE  23          HG21      ILE  23  95.921   5.750  -5.017
  173   HG22  ILE  23          HG22      ILE  23  97.311   6.431  -5.862
  174   HG23  ILE  23          HG23      ILE  23  96.289   7.470  -4.869
  175   HD11  ILE  23          HD11      ILE  23 100.335   5.348  -3.523
  176   HD12  ILE  23          HD12      ILE  23 100.924   6.639  -4.570
  177   HD13  ILE  23          HD13      ILE  23  99.761   5.465  -5.185
  178    H    SER  24           HN       SER  24  96.643   4.186  -1.700
  179    HA   SER  24           HA       SER  24  93.775   4.025  -2.286
  180    HB2  SER  24           HB2      SER  24  95.727   2.312  -3.005
  181    HB3  SER  24           HB1      SER  24  95.267   1.595  -1.461
  182    HG   SER  24           HG       SER  24  93.964   0.698  -3.012
  183    H    GLY  25           HN       GLY  25  96.112   3.669   0.343
  184    HA2  GLY  25           HA2      GLY  25  95.667   4.014   2.618
  185    HA3  GLY  25           HA1      GLY  25  93.947   3.930   2.273
  186    H    ALA  26           HN       ALA  26  96.481   1.588   1.439
  187    HA   ALA  26           HA       ALA  26  95.217  -0.340   3.272
  188    HB1  ALA  26           HB1      ALA  26  96.061  -0.834   0.419
  189    HB2  ALA  26           HB2      ALA  26  94.428  -0.904   1.082
  190    HB3  ALA  26           HB3      ALA  26  95.625  -2.106   1.561
  191    H    SER  27           HN       SER  27  96.577  -2.028   4.052
  192    HA   SER  27           HA       SER  27  99.380  -1.218   4.230
  193    HB2  SER  27           HB2      SER  27  99.512  -2.428   6.241
  194    HB3  SER  27           HB1      SER  27  97.884  -1.754   6.275
  195    HG   SER  27           HG       SER  27  97.102  -3.773   5.573
  196    H    GLN  28           HN       GLN  28 101.100  -2.665   3.872
  197    HA   GLN  28           HA       GLN  28 100.456  -5.148   2.442
  198    HB2  GLN  28           HB2      GLN  28 101.467  -2.797   1.244
  199    HB3  GLN  28           HB1      GLN  28 102.810  -3.928   1.322
  200    HG2  GLN  28           HG2      GLN  28 101.420  -5.617   0.193
  201    HG3  GLN  28           HG1      GLN  28 100.124  -4.429   0.061
  202   HE21  GLN  28          HE21      GLN  28 100.028  -4.175  -2.106
  203   HE22  GLN  28          HE22      GLN  28 101.336  -3.603  -3.079
  204    H    TRP  29           HN       TRP  29 102.449  -6.547   2.175
  205    HA   TRP  29           HA       TRP  29 104.287  -6.212   4.454
  206    HB2  TRP  29           HB2      TRP  29 102.961  -8.770   3.539
  207    HB3  TRP  29           HB1      TRP  29 104.229  -8.680   4.757
  208    HD1  TRP  29           HD1      TRP  29 100.544  -8.564   4.390
  209    HE1  TRP  29           HE1      TRP  29  99.437  -7.903   6.617
  210    HE3  TRP  29           HE3      TRP  29 104.696  -6.992   6.925
  211    HZ2  TRP  29           HZ2      TRP  29 100.220  -6.855   9.118
  212    HZ3  TRP  29           HZ3      TRP  29 104.431  -6.177   9.231
  213    HH2  TRP  29           HH2      TRP  29 102.238  -6.110  10.303
  214    H    GLU  30           HN       GLU  30 104.221  -6.137   1.231
  215    HA   GLU  30           HA       GLU  30 106.928  -7.242   0.991
  216    HB2  GLU  30           HB2      GLU  30 104.544  -8.206  -0.343
  217    HB3  GLU  30           HB1      GLU  30 105.718  -7.624  -1.515
  218    HG2  GLU  30           HG2      GLU  30 107.166  -9.297  -1.105
  219    HG3  GLU  30           HG1      GLU  30 106.790  -9.350   0.615
  220    H    LYS  31           HN       LYS  31 108.314  -5.995  -0.210
  221    HA   LYS  31           HA       LYS  31 107.393  -3.347  -0.887
  222    HB2  LYS  31           HB2      LYS  31 109.695  -4.101   0.139
  223    HB3  LYS  31           HB1      LYS  31 110.147  -4.324  -1.545
  224    HG2  LYS  31           HG2      LYS  31 109.294  -1.912  -1.862
  225    HG3  LYS  31           HG1      LYS  31 109.425  -1.803  -0.105
  226    HD2  LYS  31           HD2      LYS  31 111.781  -2.964  -1.400
  227    HD3  LYS  31           HD1      LYS  31 111.448  -1.301  -1.885
  228    HE2  LYS  31           HE2      LYS  31 112.293  -0.555   0.026
  229    HE3  LYS  31           HE1      LYS  31 111.109  -1.493   0.934
  230    HZ1  LYS  31           HZ1      LYS  31 113.693  -2.574  -0.057
  231    HZ2  LYS  31           HZ2      LYS  31 112.589  -3.357   0.958
  232    HZ3  LYS  31           HZ3      LYS  31 113.437  -2.005   1.515
  233    HA   PRO  32           HA       PRO  32 106.425  -4.611  -5.107
  234    HB2  PRO  32           HB2      PRO  32 105.947  -1.716  -5.449
  235    HB3  PRO  32           HB1      PRO  32 104.850  -3.074  -5.714
  236    HG2  PRO  32           HG2      PRO  32 104.541  -1.424  -3.632
  237    HG3  PRO  32           HG1      PRO  32 104.210  -3.161  -3.492
  238    HD2  PRO  32           HD2      PRO  32 106.609  -1.610  -2.585
  239    HD3  PRO  32           HD1      PRO  32 105.733  -2.917  -1.759
  240    H    GLU  33           HN       GLU  33 106.948  -3.518  -7.334
  241    HA   GLU  33           HA       GLU  33 109.793  -3.300  -7.471
  242    HB2  GLU  33           HB2      GLU  33 109.337  -2.845  -9.941
  243    HB3  GLU  33           HB1      GLU  33 108.829  -4.404  -9.312
  244    HG2  GLU  33           HG2      GLU  33 106.576  -3.852  -9.410
  245    HG3  GLU  33           HG1      GLU  33 106.899  -2.121  -9.454
  246    H    GLY  34           HN       GLY  34 110.772  -1.523  -6.775
  247    HA2  GLY  34           HA2      GLY  34 111.452   0.706  -7.541
  248    HA3  GLY  34           HA1      GLY  34 109.745   1.077  -7.727
  249    H    PHE  35           HN       PHE  35 108.517   0.508  -5.512
  250    HA   PHE  35           HA       PHE  35 108.097   1.098  -3.365
  251    HB2  PHE  35           HB2      PHE  35 109.997  -0.296  -2.759
  252    HB3  PHE  35           HB1      PHE  35 111.111   1.023  -3.094
  253    HD1  PHE  35           HD2      PHE  35 107.910   0.863  -1.165
  254    HD2  PHE  35           HD1      PHE  35 112.085   1.693  -1.135
  255    HE1  PHE  35           HE2      PHE  35 107.744   1.609   1.178
  256    HE2  PHE  35           HE1      PHE  35 111.925   2.433   1.204
  257    HZ   PHE  35           HZ       PHE  35 109.753   2.394   2.361
  258    H    GLN  36           HN       GLN  36 111.139   2.921  -3.817
  259    HA   GLN  36           HA       GLN  36 109.699   5.364  -3.114
  260    HB2  GLN  36           HB2      GLN  36 112.574   4.558  -3.155
  261    HB3  GLN  36           HB1      GLN  36 112.181   6.264  -3.315
  262    HG2  GLN  36           HG2      GLN  36 110.726   5.863  -1.207
  263    HG3  GLN  36           HG1      GLN  36 111.730   4.429  -1.007
  264   HE21  GLN  36          HE21      GLN  36 111.478   6.947   0.563
  265   HE22  GLN  36          HE22      GLN  36 113.089   7.557   0.691
  266    H    GLY  37           HN       GLY  37 111.400   3.890  -5.810
  267    HA2  GLY  37           HA2      GLY  37 110.756   4.450  -8.059
  268    HA3  GLY  37           HA1      GLY  37 110.434   6.088  -7.513
  269    H    ASP  38           HN       ASP  38 111.933   7.580  -7.900
  270    HA   ASP  38           HA       ASP  38 114.513   6.712  -8.949
  271    HB2  ASP  38           HB2      ASP  38 112.836   8.603  -9.862
  272    HB3  ASP  38           HB1      ASP  38 113.831   9.601  -8.805
  273    H    LEU  39           HN       LEU  39 114.572   6.087  -6.399
  274    HA   LEU  39           HA       LEU  39 116.419   8.030  -5.236
  275    HB2  LEU  39           HB2      LEU  39 114.004   6.904  -3.815
  276    HB3  LEU  39           HB1      LEU  39 115.340   7.675  -2.985
  277    HG   LEU  39           HG       LEU  39 114.017   9.232  -5.142
  278   HD11  LEU  39          HD11      LEU  39 112.459   9.986  -3.119
  279   HD12  LEU  39          HD12      LEU  39 112.653   8.287  -2.691
  280   HD13  LEU  39          HD13      LEU  39 111.991   8.729  -4.265
  281   HD21  LEU  39          HD21      LEU  39 114.744  11.054  -3.949
  282   HD22  LEU  39          HD22      LEU  39 115.988   9.873  -3.541
  283   HD23  LEU  39          HD23      LEU  39 114.682  10.207  -2.404
  284    H    LYS  40           HN       LYS  40 118.238   6.853  -5.131
  285    HA   LYS  40           HA       LYS  40 119.731   5.226  -4.611
  286    HB2  LYS  40           HB2      LYS  40 118.760   5.518  -2.348
  287    HB3  LYS  40           HB1      LYS  40 117.602   4.244  -2.706
  288    HG2  LYS  40           HG2      LYS  40 119.791   2.869  -3.223
  289    HG3  LYS  40           HG1      LYS  40 120.512   4.063  -2.143
  290    HD2  LYS  40           HD2      LYS  40 119.879   2.602  -0.542
  291    HD3  LYS  40           HD1      LYS  40 118.315   3.398  -0.724
  292    HE2  LYS  40           HE2      LYS  40 118.964   1.098  -2.503
  293    HE3  LYS  40           HE1      LYS  40 118.545   0.770  -0.823
  294    HZ1  LYS  40           HZ1      LYS  40 116.876   2.208  -2.818
  295    HZ2  LYS  40           HZ2      LYS  40 116.481   2.049  -1.180
  296    HZ3  LYS  40           HZ3      LYS  40 116.580   0.675  -2.162
  297    H    LYS  41           HN       LYS  41 119.812   4.174  -6.569
  298    HA   LYS  41           HA       LYS  41 118.040   1.852  -6.911
  299    HB2  LYS  41           HB2      LYS  41 119.656   3.371  -8.969
  300    HB3  LYS  41           HB1      LYS  41 118.666   1.958  -9.308
  301    HG2  LYS  41           HG2      LYS  41 116.669   3.165  -8.647
  302    HG3  LYS  41           HG1      LYS  41 117.641   4.574  -8.222
  303    HD2  LYS  41           HD2      LYS  41 118.459   4.229 -10.751
  304    HD3  LYS  41           HD1      LYS  41 116.836   3.545 -10.878
  305    HE2  LYS  41           HE2      LYS  41 115.826   5.565 -10.169
  306    HE3  LYS  41           HE1      LYS  41 117.368   6.233  -9.637
  307    HZ1  LYS  41           HZ1      LYS  41 118.013   6.686 -11.783
  308    HZ2  LYS  41           HZ2      LYS  41 116.350   6.987 -11.872
  309    HZ3  LYS  41           HZ3      LYS  41 116.981   5.535 -12.472
  310    H    THR  42           HN       THR  42 119.124   0.310  -5.736
  311    HA   THR  42           HA       THR  42 121.955  -0.154  -6.132
  312    HB   THR  42           HB       THR  42 121.378  -2.195  -4.610
  313    HG1  THR  42           HG1      THR  42 119.131  -2.109  -4.849
  314   HG21  THR  42          HG21      THR  42 120.722   0.079  -2.955
  315   HG22  THR  42          HG22      THR  42 122.092   0.407  -4.016
  316   HG23  THR  42          HG23      THR  42 122.133  -0.976  -2.923
  317    H    ALA  43           HN       ALA  43 122.688  -2.477  -6.543
  318    HA   ALA  43           HA       ALA  43 120.938  -4.028  -8.267
  319    HB1  ALA  43           HB1      ALA  43 121.687  -2.887 -10.077
  320    HB2  ALA  43           HB2      ALA  43 123.023  -4.030  -9.941
  321    HB3  ALA  43           HB3      ALA  43 123.187  -2.401  -9.288
  322    H    VAL  44           HN       VAL  44 122.203  -5.998  -9.159
  323    HA   VAL  44           HA       VAL  44 123.647  -7.170  -6.905
  324    HB   VAL  44           HB       VAL  44 121.698  -8.383  -7.861
  325   HG11  VAL  44          HG11      VAL  44 121.491  -9.007 -10.014
  326   HG12  VAL  44          HG12      VAL  44 123.212  -9.345 -10.194
  327   HG13  VAL  44          HG13      VAL  44 122.624  -7.686 -10.297
  328   HG21  VAL  44          HG21      VAL  44 124.005  -9.411  -6.909
  329   HG22  VAL  44          HG22      VAL  44 123.914 -10.222  -8.472
  330   HG23  VAL  44          HG23      VAL  44 122.589 -10.380  -7.318
  331    H    LYS  45           HN       LYS  45 125.148  -5.289  -8.276
  332    HA   LYS  45           HA       LYS  45 127.192  -6.978  -9.557
  333    HB2  LYS  45           HB2      LYS  45 125.876  -5.448 -11.138
  334    HB3  LYS  45           HB1      LYS  45 126.690  -4.109 -10.341
  335    HG2  LYS  45           HG2      LYS  45 128.778  -5.766 -10.988
  336    HG3  LYS  45           HG1      LYS  45 127.677  -5.977 -12.352
  337    HD2  LYS  45           HD2      LYS  45 127.614  -3.273 -12.011
  338    HD3  LYS  45           HD1      LYS  45 129.277  -3.647 -11.552
  339    HE2  LYS  45           HE2      LYS  45 128.944  -5.145 -13.823
  340    HE3  LYS  45           HE1      LYS  45 127.982  -3.711 -14.178
  341    HZ1  LYS  45           HZ1      LYS  45 130.692  -3.364 -13.095
  342    HZ2  LYS  45           HZ2      LYS  45 129.811  -2.359 -14.132
  343    HZ3  LYS  45           HZ3      LYS  45 130.514  -3.776 -14.726
  344    H    THR  46           HN       THR  46 126.868  -6.046  -6.757
  345    HA   THR  46           HA       THR  46 129.557  -5.133  -6.347
  346    HB   THR  46           HB       THR  46 128.518  -3.212  -4.801
  347    HG1  THR  46           HG1      THR  46 126.792  -3.153  -7.041
  348   HG21  THR  46          HG21      THR  46 128.632  -2.275  -7.567
  349   HG22  THR  46          HG22      THR  46 130.046  -3.178  -7.025
  350   HG23  THR  46          HG23      THR  46 129.522  -1.745  -6.140
  351    H    VAL  47           HN       VAL  47 130.314  -5.978  -4.495
  352    HA   VAL  47           HA       VAL  47 128.385  -7.202  -2.655
  353    HB   VAL  47           HB       VAL  47 131.379  -7.606  -2.650
  354   HG11  VAL  47          HG11      VAL  47 130.378  -9.891  -1.724
  355   HG12  VAL  47          HG12      VAL  47 129.063  -8.816  -1.249
  356   HG13  VAL  47          HG13      VAL  47 130.703  -8.511  -0.677
  357   HG21  VAL  47          HG21      VAL  47 131.058  -9.590  -3.994
  358   HG22  VAL  47          HG22      VAL  47 130.425  -8.191  -4.862
  359   HG23  VAL  47          HG23      VAL  47 129.319  -9.305  -4.059
  360    H    TRP  48           HN       TRP  48 128.675  -4.380  -2.556
  361    HA   TRP  48           HA       TRP  48 129.701  -4.076   0.174
  362    HB2  TRP  48           HB2      TRP  48 130.216  -2.123  -2.082
  363    HB3  TRP  48           HB1      TRP  48 130.671  -1.886  -0.398
  364    HD1  TRP  48           HD1      TRP  48 131.460  -4.349  -3.296
  365    HE1  TRP  48           HE1      TRP  48 133.896  -5.133  -3.028
  366    HE3  TRP  48           HE3      TRP  48 132.596  -1.984   1.093
  367    HZ2  TRP  48           HZ2      TRP  48 136.020  -4.791  -1.200
  368    HZ3  TRP  48           HZ3      TRP  48 134.852  -2.265   2.035
  369    HH2  TRP  48           HH2      TRP  48 136.527  -3.641   0.910
  370    H    VAL  49           HN       VAL  49 128.512  -2.747   1.485
  371    HA   VAL  49           HA       VAL  49 125.991  -1.739   0.352
  372    HB   VAL  49           HB       VAL  49 125.737  -3.385   2.156
  373   HG11  VAL  49          HG11      VAL  49 127.670  -1.630   3.498
  374   HG12  VAL  49          HG12      VAL  49 127.362  -3.353   3.705
  375   HG13  VAL  49          HG13      VAL  49 126.332  -2.169   4.509
  376   HG21  VAL  49          HG21      VAL  49 124.245  -1.253   1.810
  377   HG22  VAL  49          HG22      VAL  49 124.882  -0.809   3.394
  378   HG23  VAL  49          HG23      VAL  49 123.988  -2.316   3.193
  379    H    GLU  50           HN       GLU  50 125.273   0.360   0.779
  380    HA   GLU  50           HA       GLU  50 127.396   2.238   1.513
  381    HB2  GLU  50           HB2      GLU  50 126.243   2.582  -0.634
  382    HB3  GLU  50           HB1      GLU  50 124.709   2.731   0.211
  383    HG2  GLU  50           HG2      GLU  50 125.454   4.749   1.298
  384    HG3  GLU  50           HG1      GLU  50 127.056   4.575   0.586
  385    H    GLY  51           HN       GLY  51 127.442   3.152   3.451
  386    HA2  GLY  51           HA2      GLY  51 124.934   3.284   5.010
  387    HA3  GLY  51           HA1      GLY  51 126.504   2.972   5.733
  388    H    LEU  52           HN       LEU  52 124.735   5.039   6.539
  389    HA   LEU  52           HA       LEU  52 126.103   7.464   5.591
  390    HB2  LEU  52           HB2      LEU  52 123.523   7.174   5.543
  391    HB3  LEU  52           HB1      LEU  52 123.617   7.475   7.268
  392    HG   LEU  52           HG       LEU  52 124.778   9.644   6.744
  393   HD11  LEU  52          HD11      LEU  52 123.701   9.611   4.001
  394   HD12  LEU  52          HD12      LEU  52 125.149   8.641   4.271
  395   HD13  LEU  52          HD13      LEU  52 125.160  10.364   4.642
  396   HD21  LEU  52          HD21      LEU  52 122.177   9.825   5.362
  397   HD22  LEU  52          HD22      LEU  52 122.794  10.721   6.750
  398   HD23  LEU  52          HD23      LEU  52 122.153   9.093   6.965
  399    H    SER  53           HN       SER  53 127.113   8.846   6.987
  400    HA   SER  53           HA       SER  53 127.196   8.119   9.832
  401    HB2  SER  53           HB2      SER  53 129.201   7.188   8.728
  402    HB3  SER  53           HB1      SER  53 129.614   8.798   8.140
  403    HG   SER  53           HG       SER  53 129.482   7.935  10.840
  404    H    GLU  54           HN       GLU  54 127.722   9.837  11.263
  405    HA   GLU  54           HA       GLU  54 126.497  12.245  10.851
  406    HB2  GLU  54           HB2      GLU  54 128.014  11.101  12.899
  407    HB3  GLU  54           HB1      GLU  54 128.831  12.617  12.533
  408    HG2  GLU  54           HG2      GLU  54 125.905  12.790  12.764
  409    HG3  GLU  54           HG1      GLU  54 126.762  12.368  14.245
  410    H    ASP  55           HN       ASP  55 127.223  14.388  10.490
  411    HA   ASP  55           HA       ASP  55 128.322  16.043   9.410
  412    HB2  ASP  55           HB2      ASP  55 130.531  14.214  10.166
  413    HB3  ASP  55           HB1      ASP  55 130.890  15.421   8.936
  414    H    GLY  56           HN       GLY  56 127.339  13.388   7.979
  415    HA2  GLY  56           HA2      GLY  56 126.925  12.897   5.769
  416    HA3  GLY  56           HA1      GLY  56 127.722  14.402   5.345
  417    H    PHE  57           HN       PHE  57 128.557  11.159   6.591
  418    HA   PHE  57           HA       PHE  57 130.782  11.110   4.659
  419    HB2  PHE  57           HB2      PHE  57 130.858  10.086   7.508
  420    HB3  PHE  57           HB1      PHE  57 132.127   9.842   6.316
  421    HD1  PHE  57           HD2      PHE  57 132.589  12.334   5.070
  422    HD2  PHE  57           HD1      PHE  57 131.490  11.575   9.110
  423    HE1  PHE  57           HE2      PHE  57 133.609  14.469   5.746
  424    HE2  PHE  57           HE1      PHE  57 132.505  13.705   9.793
  425    HZ   PHE  57           HZ       PHE  57 133.569  15.157   8.111
  426    H    THR  58           HN       THR  58 130.046   9.721   3.161
  427    HA   THR  58           HA       THR  58 128.425   7.451   3.826
  428    HB   THR  58           HB       THR  58 129.810   8.090   1.214
  429    HG1  THR  58           HG1      THR  58 127.197   8.772   2.088
  430   HG21  THR  58          HG21      THR  58 128.312   6.672   0.133
  431   HG22  THR  58          HG22      THR  58 127.271   6.541   1.550
  432   HG23  THR  58          HG23      THR  58 128.851   5.759   1.541
  433    H    TYR  59           HN       TYR  59 129.131   5.578   4.560
  434    HA   TYR  59           HA       TYR  59 131.901   4.767   3.983
  435    HB2  TYR  59           HB2      TYR  59 131.990   3.635   6.077
  436    HB3  TYR  59           HB1      TYR  59 131.329   5.233   6.395
  437    HD1  TYR  59           HD1      TYR  59 128.937   5.497   6.951
  438    HD2  TYR  59           HD2      TYR  59 130.696   1.657   6.439
  439    HE1  TYR  59           HE1      TYR  59 127.012   4.470   8.084
  440    HE2  TYR  59           HE2      TYR  59 128.777   0.619   7.568
  441    HH   TYR  59           HH       TYR  59 125.935   1.928   7.945
  442    H    TYR  60           HN       TYR  60 132.326   2.635   3.369
  443    HA   TYR  60           HA       TYR  60 129.948   1.070   2.596
  444    HB2  TYR  60           HB2      TYR  60 132.572   0.951   1.121
  445    HB3  TYR  60           HB1      TYR  60 130.990   0.400   0.584
  446    HD1  TYR  60           HD1      TYR  60 129.184   2.505   0.724
  447    HD2  TYR  60           HD2      TYR  60 133.363   2.772  -0.044
  448    HE1  TYR  60           HE1      TYR  60 128.829   4.644  -0.435
  449    HE2  TYR  60           HE2      TYR  60 133.017   4.912  -1.205
  450    HH   TYR  60           HH       TYR  60 130.688   6.819  -0.897
  451    H    TYR  61           HN       TYR  61 129.962  -1.120   2.963
  452    HA   TYR  61           HA       TYR  61 132.312  -2.204   4.375
  453    HB2  TYR  61           HB2      TYR  61 130.538  -1.758   5.982
  454    HB3  TYR  61           HB1      TYR  61 129.386  -2.656   5.001
  455    HD1  TYR  61           HD1      TYR  61 132.552  -3.066   6.921
  456    HD2  TYR  61           HD2      TYR  61 129.047  -4.932   5.394
  457    HE1  TYR  61           HE1      TYR  61 133.104  -5.111   8.169
  458    HE2  TYR  61           HE2      TYR  61 129.589  -6.984   6.635
  459    HH   TYR  61           HH       TYR  61 131.653  -7.139   9.120
  460    H    ASN  62           HN       ASN  62 132.700  -4.461   4.135
  461    HA   ASN  62           HA       ASN  62 131.459  -5.620   1.724
  462    HB2  ASN  62           HB2      ASN  62 133.880  -5.080   1.512
  463    HB3  ASN  62           HB1      ASN  62 134.216  -6.173   2.847
  464   HD21  ASN  62          HD21      ASN  62 132.523  -6.153  -0.281
  465   HD22  ASN  62          HD22      ASN  62 133.051  -7.726  -0.761
  466    H    THR  63           HN       THR  63 130.588  -7.626   1.820
  467    HA   THR  63           HA       THR  63 130.271  -8.805   4.454
  468    HB   THR  63           HB       THR  63 128.521 -10.110   3.519
  469    HG1  THR  63           HG1      THR  63 129.133 -10.928   1.646
  470   HG21  THR  63          HG21      THR  63 128.165  -7.734   1.782
  471   HG22  THR  63          HG22      THR  63 128.258  -7.496   3.527
  472   HG23  THR  63          HG23      THR  63 127.016  -8.547   2.845
  473    H    GLU  64           HN       GLU  64 131.931  -9.525   1.446
  474    HA   GLU  64           HA       GLU  64 132.413 -12.252   1.833
  475    HB2  GLU  64           HB2      GLU  64 134.404 -10.428   0.507
  476    HB3  GLU  64           HB1      GLU  64 134.015 -12.094   0.122
  477    HG2  GLU  64           HG2      GLU  64 131.732 -11.263  -0.575
  478    HG3  GLU  64           HG1      GLU  64 132.403  -9.638  -0.455
  479    H    THR  65           HN       THR  65 134.724  -9.574   2.388
  480    HA   THR  65           HA       THR  65 136.343 -11.289   4.072
  481    HB   THR  65           HB       THR  65 137.846  -9.335   4.248
  482    HG1  THR  65           HG1      THR  65 137.157  -7.424   3.775
  483   HG21  THR  65          HG21      THR  65 137.499 -10.860   2.034
  484   HG22  THR  65          HG22      THR  65 138.783  -9.671   2.252
  485   HG23  THR  65          HG23      THR  65 137.316  -9.234   1.377
  486    H    GLY  66           HN       GLY  66 134.362  -8.367   4.477
  487    HA2  GLY  66           HA2      GLY  66 133.044  -7.933   6.392
  488    HA3  GLY  66           HA1      GLY  66 134.043  -9.053   7.305
  489    H    GLU  67           HN       GLU  67 134.861  -6.205   5.320
  490    HA   GLU  67           HA       GLU  67 135.938  -4.911   7.726
  491    HB2  GLU  67           HB2      GLU  67 137.711  -6.092   6.282
  492    HB3  GLU  67           HB1      GLU  67 137.411  -4.828   5.099
  493    HG2  GLU  67           HG2      GLU  67 138.180  -3.141   6.574
  494    HG3  GLU  67           HG1      GLU  67 138.194  -4.251   7.942
  495    H    SER  68           HN       SER  68 135.711  -2.713   7.814
  496    HA   SER  68           HA       SER  68 133.831  -1.547   5.965
  497    HB2  SER  68           HB2      SER  68 133.621   0.233   7.496
  498    HB3  SER  68           HB1      SER  68 133.904  -1.178   8.515
  499    HG   SER  68           HG       SER  68 135.318   0.274   9.279
  500    H    ARG  69           HN       ARG  69 134.157   0.288   4.692
  501    HA   ARG  69           HA       ARG  69 136.943   1.087   4.210
  502    HB2  ARG  69           HB2      ARG  69 135.901  -0.640   2.542
  503    HB3  ARG  69           HB1      ARG  69 135.036   0.757   1.918
  504    HG2  ARG  69           HG2      ARG  69 136.918   0.595   0.565
  505    HG3  ARG  69           HG1      ARG  69 137.327   1.864   1.719
  506    HD2  ARG  69           HD2      ARG  69 138.449   0.042   3.094
  507    HD3  ARG  69           HD1      ARG  69 138.277  -0.991   1.676
  508    HE   ARG  69           HE       ARG  69 139.971   0.172   0.658
  509   HH11  ARG  69          HH11      ARG  69 138.915   1.942   3.488
  510   HH12  ARG  69          HH12      ARG  69 140.179   3.118   3.382
  511   HH21  ARG  69          HH21      ARG  69 141.649   1.722   0.527
  512   HH22  ARG  69          HH22      ARG  69 141.734   2.992   1.701
  513    H    TRP  70           HN       TRP  70 137.177   3.189   3.205
  514    HA   TRP  70           HA       TRP  70 134.782   4.887   3.446
  515    HB2  TRP  70           HB2      TRP  70 137.601   5.566   4.324
  516    HB3  TRP  70           HB1      TRP  70 136.246   6.692   4.314
  517    HD1  TRP  70           HD1      TRP  70 137.660   3.722   6.243
  518    HE1  TRP  70           HE1      TRP  70 136.406   3.505   8.480
  519    HE3  TRP  70           HE3      TRP  70 133.971   7.176   5.450
  520    HZ2  TRP  70           HZ2      TRP  70 134.155   4.648   9.743
  521    HZ3  TRP  70           HZ3      TRP  70 132.307   7.553   7.224
  522    HH2  TRP  70           HH2      TRP  70 132.399   6.313   9.325
  523    H    GLU  71           HN       GLU  71 136.137   3.598   1.108
  524    HA   GLU  71           HA       GLU  71 136.270   5.991  -0.548
  525    HB2  GLU  71           HB2      GLU  71 138.516   4.026  -0.194
  526    HB3  GLU  71           HB1      GLU  71 138.291   4.833  -1.739
  527    HG2  GLU  71           HG2      GLU  71 139.674   6.352  -0.846
  528    HG3  GLU  71           HG1      GLU  71 138.193   6.958  -0.110
  529    H    LYS  72           HN       LYS  72 135.290   5.683  -2.474
  530    HA   LYS  72           HA       LYS  72 133.763   3.388  -2.970
  531    HB2  LYS  72           HB2      LYS  72 134.506   5.807  -4.541
  532    HB3  LYS  72           HB1      LYS  72 133.824   4.446  -5.417
  533    HG2  LYS  72           HG2      LYS  72 131.806   4.549  -4.191
  534    HG3  LYS  72           HG1      LYS  72 132.495   5.675  -3.020
  535    HD2  LYS  72           HD2      LYS  72 132.184   6.312  -5.948
  536    HD3  LYS  72           HD1      LYS  72 130.959   6.695  -4.737
  537    HE2  LYS  72           HE2      LYS  72 132.104   8.466  -3.988
  538    HE3  LYS  72           HE1      LYS  72 133.625   7.576  -3.963
  539    HZ1  LYS  72           HZ1      LYS  72 133.734   7.922  -6.408
  540    HZ2  LYS  72           HZ2      LYS  72 133.829   9.352  -5.510
  541    HZ3  LYS  72           HZ3      LYS  72 132.387   8.940  -6.291
  542    HA   PRO  73           HA       PRO  73 137.153   0.716  -4.318
  543    HB2  PRO  73           HB2      PRO  73 134.833  -1.003  -5.037
  544    HB3  PRO  73           HB1      PRO  73 136.268  -1.389  -4.081
  545    HG2  PRO  73           HG2      PRO  73 133.916  -1.018  -2.899
  546    HG3  PRO  73           HG1      PRO  73 135.411  -0.416  -2.157
  547    HD2  PRO  73           HD2      PRO  73 133.298   1.088  -3.651
  548    HD3  PRO  73           HD1      PRO  73 134.215   1.565  -2.208
  549    H    ASP  74           HN       ASP  74 137.928   1.693  -6.149
  550    HA   ASP  74           HA       ASP  74 136.340   1.659  -8.588
  551    HB2  ASP  74           HB2      ASP  74 138.351   2.876  -9.551
  552    HB3  ASP  74           HB1      ASP  74 137.496   3.710  -8.259
  553    H    ASP  75           HN       ASP  75 136.509   0.180 -10.131
  554    HA   ASP  75           HA       ASP  75 138.986  -1.295 -10.491
  555    HB2  ASP  75           HB2      ASP  75 137.338  -2.464  -8.815
  556    HB3  ASP  75           HB1      ASP  75 136.473  -2.920 -10.276
  Start of MODEL   14
    1    H1   ASP   1           HT1      ASP   1 101.534 -11.373 -13.709
    2    H2   ASP   1           HT2      ASP   1 101.060 -10.639 -15.187
    3    H3   ASP   1           HT3      ASP   1  99.939 -11.587 -14.300
    4    HA   ASP   1           HA       ASP   1  99.396  -9.368 -13.946
    5    HB2  ASP   1           HB2      ASP   1 100.636 -10.964 -11.775
    6    HB3  ASP   1           HB1      ASP   1 100.314  -9.274 -11.402
    7    HA   PRO   2           HA       PRO   2 102.476  -6.233 -14.414
    8    HB2  PRO   2           HB2      PRO   2 101.259  -4.138 -13.199
    9    HB3  PRO   2           HB1      PRO   2 100.732  -4.770 -14.764
   10    HG2  PRO   2           HG2      PRO   2  99.599  -5.272 -12.037
   11    HG3  PRO   2           HG1      PRO   2  98.749  -4.952 -13.561
   12    HD2  PRO   2           HD2      PRO   2  99.037  -7.446 -12.536
   13    HD3  PRO   2           HD1      PRO   2  98.960  -7.128 -14.281
   14    H    SER   3           HN       SER   3 104.056  -5.011 -13.284
   15    HA   SER   3           HA       SER   3 104.053  -5.140 -10.376
   16    HB2  SER   3           HB2      SER   3 105.259  -7.195 -11.485
   17    HB3  SER   3           HB1      SER   3 106.561  -6.035 -11.747
   18    HG   SER   3           HG       SER   3 105.451  -6.935  -9.313
   19    H    LYS   4           HN       LYS   4 104.168  -3.026  -9.971
   20    HA   LYS   4           HA       LYS   4 106.466  -1.550 -11.049
   21    HB2  LYS   4           HB2      LYS   4 103.734  -0.307 -10.711
   22    HB3  LYS   4           HB1      LYS   4 105.156   0.416 -11.448
   23    HG2  LYS   4           HG2      LYS   4 105.024  -1.267 -13.258
   24    HG3  LYS   4           HG1      LYS   4 103.531  -1.873 -12.540
   25    HD2  LYS   4           HD2      LYS   4 102.475  -0.388 -13.832
   26    HD3  LYS   4           HD1      LYS   4 103.089   0.844 -12.729
   27    HE2  LYS   4           HE2      LYS   4 105.226   0.617 -14.297
   28    HE3  LYS   4           HE1      LYS   4 104.002   0.095 -15.453
   29    HZ1  LYS   4           HZ1      LYS   4 104.372   2.469 -15.595
   30    HZ2  LYS   4           HZ2      LYS   4 103.997   2.663 -13.957
   31    HZ3  LYS   4           HZ3      LYS   4 102.801   2.161 -15.044
   32    H    GLY   5           HN       GLY   5 106.105  -2.888  -8.499
   33    HA2  GLY   5           HA2      GLY   5 107.056  -2.229  -6.435
   34    HA3  GLY   5           HA1      GLY   5 106.558  -0.578  -6.758
   35    H    ARG   6           HN       ARG   6 105.418  -3.770  -5.805
   36    HA   ARG   6           HA       ARG   6 102.802  -2.836  -5.064
   37    HB2  ARG   6           HB2      ARG   6 104.240  -5.426  -5.088
   38    HB3  ARG   6           HB1      ARG   6 102.976  -5.262  -3.879
   39    HG2  ARG   6           HG2      ARG   6 101.612  -5.962  -5.495
   40    HG3  ARG   6           HG1      ARG   6 101.734  -4.312  -6.106
   41    HD2  ARG   6           HD2      ARG   6 103.979  -5.828  -7.024
   42    HD3  ARG   6           HD1      ARG   6 102.497  -6.711  -7.383
   43    HE   ARG   6           HE       ARG   6 103.404  -4.298  -8.614
   44   HH11  ARG   6          HH11      ARG   6 100.537  -6.114  -7.755
   45   HH12  ARG   6          HH12      ARG   6  99.566  -5.418  -9.007
   46   HH21  ARG   6          HH21      ARG   6 102.110  -3.372 -10.261
   47   HH22  ARG   6          HH22      ARG   6 100.460  -3.863 -10.430
   48    H    TRP   7           HN       TRP   7 103.606  -1.096  -3.649
   49    HA   TRP   7           HA       TRP   7 104.217  -2.100  -0.944
   50    HB2  TRP   7           HB2      TRP   7 105.127   0.474  -2.249
   51    HB3  TRP   7           HB1      TRP   7 105.340   0.100  -0.541
   52    HD1  TRP   7           HD1      TRP   7 106.574  -1.004  -4.010
   53    HE1  TRP   7           HE1      TRP   7 108.809  -2.242  -3.723
   54    HE3  TRP   7           HE3      TRP   7 106.749  -1.170   1.096
   55    HZ2  TRP   7           HZ2      TRP   7 110.438  -3.164  -1.601
   56    HZ3  TRP   7           HZ3      TRP   7 108.680  -2.246   2.177
   57    HH2  TRP   7           HH2      TRP   7 110.485  -3.222   0.853
   58    H    VAL   8           HN       VAL   8 102.978  -1.391   0.722
   59    HA   VAL   8           HA       VAL   8 100.817   0.508   0.071
   60    HB   VAL   8           HB       VAL   8 100.001  -1.780   0.484
   61   HG11  VAL   8          HG11      VAL   8 101.202  -1.426   3.227
   62   HG12  VAL   8          HG12      VAL   8 101.708  -2.583   1.995
   63   HG13  VAL   8          HG13      VAL   8 100.122  -2.735   2.751
   64   HG21  VAL   8          HG21      VAL   8  98.270  -0.436   1.025
   65   HG22  VAL   8          HG22      VAL   8  99.232   0.541   2.134
   66   HG23  VAL   8          HG23      VAL   8  98.600  -1.019   2.656
   67    H    GLU   9           HN       GLU   9 100.555   2.280   1.341
   68    HA   GLU   9           HA       GLU   9 102.537   2.725   3.429
   69    HB2  GLU   9           HB2      GLU   9 102.188   4.482   1.749
   70    HB3  GLU   9           HB1      GLU   9 100.504   4.620   2.238
   71    HG2  GLU   9           HG2      GLU   9 101.208   5.341   4.463
   72    HG3  GLU   9           HG1      GLU   9 102.894   5.206   3.973
   73    H    GLY  10           HN       GLY  10 102.143   2.778   5.546
   74    HA2  GLY  10           HA2      GLY  10  99.334   2.785   6.448
   75    HA3  GLY  10           HA1      GLY  10 100.478   1.608   7.071
   76    H    ILE  11           HN       ILE  11  98.909   3.716   8.445
   77    HA   ILE  11           HA       ILE  11 101.009   5.513   9.415
   78    HB   ILE  11           HB       ILE  11  98.102   5.494  10.229
   79   HG12  ILE  11          HG12      ILE  11  98.284   5.843   7.797
   80   HG13  ILE  11          HG11      ILE  11  97.753   7.304   8.619
   81   HG21  ILE  11          HG21      ILE  11  99.312   6.701  11.821
   82   HG22  ILE  11          HG22      ILE  11  98.694   7.934  10.723
   83   HG23  ILE  11          HG23      ILE  11 100.375   7.413  10.608
   84   HD11  ILE  11          HD11      ILE  11  99.491   8.463   7.873
   85   HD12  ILE  11          HD12      ILE  11  99.785   7.112   6.778
   86   HD13  ILE  11          HD13      ILE  11 100.636   7.198   8.321
   87    H    THR  12           HN       THR  12 101.765   5.516  11.507
   88    HA   THR  12           HA       THR  12 100.798   3.359  13.262
   89    HB   THR  12           HB       THR  12 103.604   4.098  13.665
   90    HG1  THR  12           HG1      THR  12 104.159   3.986  11.658
   91   HG21  THR  12          HG21      THR  12 101.963   1.877  14.113
   92   HG22  THR  12          HG22      THR  12 103.669   2.070  14.514
   93   HG23  THR  12          HG23      THR  12 103.200   1.366  12.966
   94    H    SER  13           HN       SER  13 101.299   3.701  15.567
   95    HA   SER  13           HA       SER  13 100.232   5.998  16.594
   96    HB2  SER  13           HB2      SER  13 102.400   4.531  18.082
   97    HB3  SER  13           HB1      SER  13 100.953   5.304  18.728
   98    HG   SER  13           HG       SER  13 101.105   2.844  18.348
   99    H    GLU  14           HN       GLU  14 101.073   7.838  17.669
  100    HA   GLU  14           HA       GLU  14 102.460   9.589  18.079
  101    HB2  GLU  14           HB2      GLU  14 104.757   8.199  16.737
  102    HB3  GLU  14           HB1      GLU  14 104.786   9.406  18.011
  103    HG2  GLU  14           HG2      GLU  14 103.622   7.605  19.440
  104    HG3  GLU  14           HG1      GLU  14 104.181   6.485  18.202
  105    H    GLY  15           HN       GLY  15 103.288   8.112  14.910
  106    HA2  GLY  15           HA2      GLY  15 102.138   9.588  13.095
  107    HA3  GLY  15           HA1      GLY  15 103.234  10.803  13.737
  108    H    TYR  16           HN       TYR  16 103.634   7.341  12.973
  109    HA   TYR  16           HA       TYR  16 105.921   8.086  11.265
  110    HB2  TYR  16           HB2      TYR  16 105.526   5.459  12.712
  111    HB3  TYR  16           HB1      TYR  16 106.960   5.983  11.841
  112    HD1  TYR  16           HD2      TYR  16 107.899   8.359  12.761
  113    HD2  TYR  16           HD1      TYR  16 105.629   5.541  15.002
  114    HE1  TYR  16           HE2      TYR  16 108.825   9.276  14.845
  115    HE2  TYR  16           HE1      TYR  16 106.551   6.450  17.090
  116    HH   TYR  16           HH       TYR  16 107.553   8.650  17.867
  117    H    HIS  17           HN       HIS  17 106.079   7.186   9.233
  118    HA   HIS  17           HA       HIS  17 103.692   5.726   8.324
  119    HB2  HIS  17           HB2      HIS  17 105.661   7.471   6.845
  120    HB3  HIS  17           HB1      HIS  17 104.486   6.453   6.020
  121    HD1  HIS  17           HD1      HIS  17 103.189   8.418   5.025
  122    HD2  HIS  17           HD2      HIS  17 103.421   8.513   9.174
  123    HE1  HIS  17           HE1      HIS  17 101.562  10.193   5.751
  124    HE2  HIS  17           HE2      HIS  17 101.653  10.167   8.269
  125    H    TYR  18           HN       TYR  18 103.920   3.626   8.050
  126    HA   TYR  18           HA       TYR  18 106.575   2.565   7.353
  127    HB2  TYR  18           HB2      TYR  18 106.036   0.545   8.480
  128    HB3  TYR  18           HB1      TYR  18 105.548   1.848   9.555
  129    HD1  TYR  18           HD2      TYR  18 103.140   2.360   9.864
  130    HD2  TYR  18           HD1      TYR  18 104.434  -0.973   7.558
  131    HE1  TYR  18           HE2      TYR  18 100.885   1.391  10.012
  132    HE2  TYR  18           HE1      TYR  18 102.183  -1.950   7.697
  133    HH   TYR  18           HH       TYR  18 100.185  -1.744   9.373
  134    H    TYR  19           HN       TYR  19 106.725   0.881   5.805
  135    HA   TYR  19           HA       TYR  19 104.373   0.643   4.047
  136    HB2  TYR  19           HB2      TYR  19 107.241   0.734   3.095
  137    HB3  TYR  19           HB1      TYR  19 105.787   0.749   2.102
  138    HD1  TYR  19           HD1      TYR  19 104.227   2.771   2.315
  139    HD2  TYR  19           HD2      TYR  19 108.208   2.751   3.818
  140    HE1  TYR  19           HE1      TYR  19 104.211   5.229   2.377
  141    HE2  TYR  19           HE2      TYR  19 108.199   5.204   3.892
  142    HH   TYR  19           HH       TYR  19 107.096   7.075   3.218
  143    H    TYR  20           HN       TYR  20 104.095  -1.339   2.964
  144    HA   TYR  20           HA       TYR  20 105.796  -3.538   3.931
  145    HB2  TYR  20           HB2      TYR  20 103.707  -3.598   5.183
  146    HB3  TYR  20           HB1      TYR  20 102.781  -3.553   3.686
  147    HD1  TYR  20           HD1      TYR  20 105.104  -5.622   5.694
  148    HD2  TYR  20           HD2      TYR  20 102.328  -5.538   2.472
  149    HE1  TYR  20           HE1      TYR  20 105.152  -8.078   5.598
  150    HE2  TYR  20           HE2      TYR  20 102.364  -7.992   2.365
  151    HH   TYR  20           HH       TYR  20 103.119  -9.919   4.510
  152    H    ASP  21           HN       ASP  21 106.193  -5.211   2.529
  153    HA   ASP  21           HA       ASP  21 105.312  -4.798  -0.253
  154    HB2  ASP  21           HB2      ASP  21 107.765  -4.399   0.238
  155    HB3  ASP  21           HB1      ASP  21 107.892  -6.114   0.610
  156    H    LEU  22           HN       LEU  22 104.097  -6.368  -1.068
  157    HA   LEU  22           HA       LEU  22 103.790  -8.854   0.389
  158    HB2  LEU  22           HB2      LEU  22 102.108  -9.334  -1.484
  159    HB3  LEU  22           HB1      LEU  22 101.732  -8.069  -0.334
  160    HG   LEU  22           HG       LEU  22 103.112  -7.068  -2.714
  161   HD11  LEU  22          HD11      LEU  22 101.988  -8.720  -3.950
  162   HD12  LEU  22          HD12      LEU  22 100.988  -7.275  -4.093
  163   HD13  LEU  22          HD13      LEU  22 100.520  -8.563  -2.984
  164   HD21  LEU  22          HD21      LEU  22 101.550  -6.046  -0.728
  165   HD22  LEU  22          HD22      LEU  22 100.400  -6.166  -2.061
  166   HD23  LEU  22          HD23      LEU  22 101.888  -5.241  -2.261
  167    H    ILE  23           HN       ILE  23 105.425  -7.724  -2.461
  168    HA   ILE  23           HA       ILE  23 105.686 -10.110  -3.896
  169    HB   ILE  23           HB       ILE  23 107.765  -7.923  -3.689
  170   HG12  ILE  23          HG12      ILE  23 105.888  -8.016  -5.983
  171   HG13  ILE  23          HG11      ILE  23 105.200  -7.505  -4.446
  172   HG21  ILE  23          HG21      ILE  23 108.585  -9.979  -4.722
  173   HG22  ILE  23          HG22      ILE  23 108.462  -8.676  -5.904
  174   HG23  ILE  23          HG23      ILE  23 107.241  -9.948  -5.864
  175   HD11  ILE  23          HD11      ILE  23 107.720  -6.251  -5.428
  176   HD12  ILE  23          HD12      ILE  23 106.482  -5.599  -4.355
  177   HD13  ILE  23          HD13      ILE  23 106.162  -5.747  -6.082
  178    H    SER  24           HN       SER  24 107.759  -8.739  -1.342
  179    HA   SER  24           HA       SER  24 109.202 -11.295  -1.202
  180    HB2  SER  24           HB2      SER  24 109.940  -8.480  -0.570
  181    HB3  SER  24           HB1      SER  24 110.667  -9.750   0.415
  182    HG   SER  24           HG       SER  24 111.965 -10.092  -1.186
  183    H    GLY  25           HN       GLY  25 107.213  -9.082   0.686
  184    HA2  GLY  25           HA2      GLY  25 105.896  -9.678   2.535
  185    HA3  GLY  25           HA1      GLY  25 106.794 -11.183   2.661
  186    H    ALA  26           HN       ALA  26 107.942  -7.815   2.612
  187    HA   ALA  26           HA       ALA  26 108.923  -8.170   5.363
  188    HB1  ALA  26           HB1      ALA  26 110.510  -7.197   2.997
  189    HB2  ALA  26           HB2      ALA  26 110.851  -8.575   4.043
  190    HB3  ALA  26           HB3      ALA  26 111.006  -6.934   4.668
  191    H    SER  27           HN       SER  27 108.575  -6.485   6.685
  192    HA   SER  27           HA       SER  27 107.182  -4.167   5.628
  193    HB2  SER  27           HB2      SER  27 106.919  -3.560   8.052
  194    HB3  SER  27           HB1      SER  27 106.254  -5.139   7.636
  195    HG   SER  27           HG       SER  27 107.622  -6.025   8.961
  196    H    GLN  28           HN       GLN  28 107.903  -2.065   5.689
  197    HA   GLN  28           HA       GLN  28 110.665  -1.605   6.595
  198    HB2  GLN  28           HB2      GLN  28 109.980  -1.786   3.956
  199    HB3  GLN  28           HB1      GLN  28 109.814  -0.059   4.236
  200    HG2  GLN  28           HG2      GLN  28 111.996   0.151   3.976
  201    HG3  GLN  28           HG1      GLN  28 112.236  -0.806   5.436
  202   HE21  GLN  28          HE21      GLN  28 111.386  -1.341   2.024
  203   HE22  GLN  28          HE22      GLN  28 112.448  -2.685   1.798
  204    H    TRP  29           HN       TRP  29 111.164   0.792   6.747
  205    HA   TRP  29           HA       TRP  29 108.781   2.321   7.570
  206    HB2  TRP  29           HB2      TRP  29 111.432   2.137   9.011
  207    HB3  TRP  29           HB1      TRP  29 110.159   3.283   9.417
  208    HD1  TRP  29           HD1      TRP  29 110.832  -0.517   9.408
  209    HE1  TRP  29           HE1      TRP  29 109.297  -1.616  11.155
  210    HE3  TRP  29           HE3      TRP  29 108.081   3.577  10.766
  211    HZ2  TRP  29           HZ2      TRP  29 107.201  -0.852  12.883
  212    HZ3  TRP  29           HZ3      TRP  29 106.331   3.304  12.474
  213    HH2  TRP  29           HH2      TRP  29 105.901   1.135  13.509
  214    H    GLU  30           HN       GLU  30 111.057   2.237   5.299
  215    HA   GLU  30           HA       GLU  30 111.331   5.165   5.194
  216    HB2  GLU  30           HB2      GLU  30 113.398   3.236   5.309
  217    HB3  GLU  30           HB1      GLU  30 113.375   3.838   3.656
  218    HG2  GLU  30           HG2      GLU  30 113.168   5.979   5.600
  219    HG3  GLU  30           HG1      GLU  30 114.621   5.006   5.824
  220    H    LYS  31           HN       LYS  31 110.553   6.099   3.379
  221    HA   LYS  31           HA       LYS  31 109.090   4.575   1.499
  222    HB2  LYS  31           HB2      LYS  31 108.933   7.111   2.247
  223    HB3  LYS  31           HB1      LYS  31 109.971   7.357   0.851
  224    HG2  LYS  31           HG2      LYS  31 108.271   6.155  -0.525
  225    HG3  LYS  31           HG1      LYS  31 107.217   6.149   0.889
  226    HD2  LYS  31           HD2      LYS  31 108.216   8.798   0.471
  227    HD3  LYS  31           HD1      LYS  31 107.541   8.187  -1.040
  228    HE2  LYS  31           HE2      LYS  31 105.527   8.726  -0.252
  229    HE3  LYS  31           HE1      LYS  31 105.710   7.408   0.903
  230    HZ1  LYS  31           HZ1      LYS  31 105.312   9.978   1.568
  231    HZ2  LYS  31           HZ2      LYS  31 106.996   9.876   1.689
  232    HZ3  LYS  31           HZ3      LYS  31 106.019   8.828   2.587
  233    HA   PRO  32           HA       PRO  32 112.658   3.398  -1.005
  234    HB2  PRO  32           HB2      PRO  32 110.583   2.182  -2.716
  235    HB3  PRO  32           HB1      PRO  32 111.963   1.424  -1.916
  236    HG2  PRO  32           HG2      PRO  32 109.464   1.012  -1.061
  237    HG3  PRO  32           HG1      PRO  32 110.820   1.141   0.076
  238    HD2  PRO  32           HD2      PRO  32 108.761   3.196  -0.658
  239    HD3  PRO  32           HD1      PRO  32 109.416   2.780   0.941
  240    H    GLU  33           HN       GLU  33 112.864   3.246  -3.588
  241    HA   GLU  33           HA       GLU  33 112.218   5.928  -4.537
  242    HB2  GLU  33           HB2      GLU  33 113.850   5.511  -6.313
  243    HB3  GLU  33           HB1      GLU  33 114.545   5.207  -4.730
  244    HG2  GLU  33           HG2      GLU  33 113.389   2.910  -6.222
  245    HG3  GLU  33           HG1      GLU  33 114.929   3.575  -6.760
  246    H    GLY  34           HN       GLY  34 110.131   3.850  -4.412
  247    HA2  GLY  34           HA2      GLY  34 109.367   3.903  -7.261
  248    HA3  GLY  34           HA1      GLY  34 109.162   2.441  -6.308
  249    H    PHE  35           HN       PHE  35 108.161   3.442  -3.935
  250    HA   PHE  35           HA       PHE  35 105.445   3.671  -4.435
  251    HB2  PHE  35           HB2      PHE  35 106.521   3.047  -2.254
  252    HB3  PHE  35           HB1      PHE  35 106.866   4.751  -1.992
  253    HD1  PHE  35           HD1      PHE  35 104.171   2.253  -2.320
  254    HD2  PHE  35           HD2      PHE  35 105.188   6.236  -1.216
  255    HE1  PHE  35           HE1      PHE  35 101.952   2.533  -1.294
  256    HE2  PHE  35           HE2      PHE  35 102.971   6.522  -0.191
  257    HZ   PHE  35           HZ       PHE  35 101.349   4.669  -0.230
  258    H    GLN  36           HN       GLN  36 107.503   6.341  -3.214
  259    HA   GLN  36           HA       GLN  36 106.231   8.209  -5.026
  260    HB2  GLN  36           HB2      GLN  36 105.774   8.270  -2.054
  261    HB3  GLN  36           HB1      GLN  36 105.722   9.750  -2.999
  262    HG2  GLN  36           HG2      GLN  36 104.020   8.487  -4.469
  263    HG3  GLN  36           HG1      GLN  36 103.897   7.383  -3.100
  264   HE21  GLN  36          HE21      GLN  36 103.933  10.889  -3.708
  265   HE22  GLN  36          HE22      GLN  36 102.637  11.258  -2.627
  266    H    GLY  37           HN       GLY  37 108.444   8.282  -5.770
  267    HA2  GLY  37           HA2      GLY  37 110.071  10.146  -4.178
  268    HA3  GLY  37           HA1      GLY  37 110.806   8.663  -4.767
  269    H    ASP  38           HN       ASP  38 112.032  10.901  -5.501
  270    HA   ASP  38           HA       ASP  38 111.051  12.062  -7.917
  271    HB2  ASP  38           HB2      ASP  38 113.904  12.065  -6.912
  272    HB3  ASP  38           HB1      ASP  38 113.177  13.197  -8.044
  273    H    LEU  39           HN       LEU  39 112.640  12.078  -9.893
  274    HA   LEU  39           HA       LEU  39 112.547   9.526 -11.066
  275    HB2  LEU  39           HB2      LEU  39 113.916  10.562 -12.890
  276    HB3  LEU  39           HB1      LEU  39 112.434  11.408 -12.495
  277    HG   LEU  39           HG       LEU  39 114.465  12.586 -10.921
  278   HD11  LEU  39          HD11      LEU  39 115.367  12.903 -13.711
  279   HD12  LEU  39          HD12      LEU  39 115.793  11.386 -12.919
  280   HD13  LEU  39          HD13      LEU  39 116.286  12.922 -12.207
  281   HD21  LEU  39          HD21      LEU  39 112.669  13.358 -13.154
  282   HD22  LEU  39          HD22      LEU  39 114.012  14.436 -12.774
  283   HD23  LEU  39          HD23      LEU  39 112.825  14.038 -11.533
  284    H    LYS  40           HN       LYS  40 114.323   8.244 -11.915
  285    HA   LYS  40           HA       LYS  40 116.322   7.777  -9.904
  286    HB2  LYS  40           HB2      LYS  40 116.002   6.447 -12.600
  287    HB3  LYS  40           HB1      LYS  40 116.964   5.856 -11.253
  288    HG2  LYS  40           HG2      LYS  40 114.541   6.071 -10.071
  289    HG3  LYS  40           HG1      LYS  40 114.067   5.695 -11.729
  290    HD2  LYS  40           HD2      LYS  40 115.154   3.635 -11.702
  291    HD3  LYS  40           HD1      LYS  40 116.187   4.090 -10.346
  292    HE2  LYS  40           HE2      LYS  40 114.088   4.161  -8.937
  293    HE3  LYS  40           HE1      LYS  40 113.254   3.407 -10.295
  294    HZ1  LYS  40           HZ1      LYS  40 115.143   1.674 -10.112
  295    HZ2  LYS  40           HZ2      LYS  40 113.859   1.610  -9.013
  296    HZ3  LYS  40           HZ3      LYS  40 115.338   2.282  -8.544
  297    H    LYS  41           HN       LYS  41 118.635   7.614 -10.342
  298    HA   LYS  41           HA       LYS  41 119.751   8.885 -12.662
  299    HB2  LYS  41           HB2      LYS  41 118.912  10.709 -10.929
  300    HB3  LYS  41           HB1      LYS  41 120.432  10.324 -10.136
  301    HG2  LYS  41           HG2      LYS  41 121.614  11.477 -11.626
  302    HG3  LYS  41           HG1      LYS  41 120.754  10.757 -12.989
  303    HD2  LYS  41           HD2      LYS  41 119.180  12.681 -11.425
  304    HD3  LYS  41           HD1      LYS  41 120.584  13.372 -12.242
  305    HE2  LYS  41           HE2      LYS  41 118.474  11.681 -13.580
  306    HE3  LYS  41           HE1      LYS  41 118.509  13.443 -13.602
  307    HZ1  LYS  41           HZ1      LYS  41 119.653  13.122 -15.491
  308    HZ2  LYS  41           HZ2      LYS  41 120.115  11.545 -15.090
  309    HZ3  LYS  41           HZ3      LYS  41 120.974  12.862 -14.464
  310    H    THR  42           HN       THR  42 122.195   9.155 -12.402
  311    HA   THR  42           HA       THR  42 123.261   6.699 -11.385
  312    HB   THR  42           HB       THR  42 125.072   8.909 -12.233
  313    HG1  THR  42           HG1      THR  42 124.472   8.803 -14.311
  314   HG21  THR  42          HG21      THR  42 126.439   7.278 -13.003
  315   HG22  THR  42          HG22      THR  42 125.106   6.212 -13.446
  316   HG23  THR  42          HG23      THR  42 125.594   6.359 -11.758
  317    H    ALA  43           HN       ALA  43 123.353  10.075 -10.381
  318    HA   ALA  43           HA       ALA  43 125.139   9.485  -8.157
  319    HB1  ALA  43           HB1      ALA  43 125.463  11.561  -9.403
  320    HB2  ALA  43           HB2      ALA  43 125.054  11.893  -7.720
  321    HB3  ALA  43           HB3      ALA  43 123.832  12.079  -8.978
  322    H    VAL  44           HN       VAL  44 124.072   8.295  -6.643
  323    HA   VAL  44           HA       VAL  44 121.699   9.538  -5.419
  324    HB   VAL  44           HB       VAL  44 122.111   6.553  -5.650
  325   HG11  VAL  44          HG11      VAL  44 119.500   6.862  -5.152
  326   HG12  VAL  44          HG12      VAL  44 120.117   8.297  -4.335
  327   HG13  VAL  44          HG13      VAL  44 120.708   6.700  -3.878
  328   HG21  VAL  44          HG21      VAL  44 120.558   8.457  -7.370
  329   HG22  VAL  44          HG22      VAL  44 120.078   6.768  -7.214
  330   HG23  VAL  44          HG23      VAL  44 121.669   7.175  -7.855
  331    H    LYS  45           HN       LYS  45 121.824   9.856  -3.281
  332    HA   LYS  45           HA       LYS  45 124.232   9.166  -1.884
  333    HB2  LYS  45           HB2      LYS  45 123.162  10.286   0.059
  334    HB3  LYS  45           HB1      LYS  45 123.210  11.288  -1.383
  335    HG2  LYS  45           HG2      LYS  45 120.876  10.934  -1.784
  336    HG3  LYS  45           HG1      LYS  45 120.791   9.725  -0.500
  337    HD2  LYS  45           HD2      LYS  45 120.085  11.451   0.765
  338    HD3  LYS  45           HD1      LYS  45 121.801  11.853   0.851
  339    HE2  LYS  45           HE2      LYS  45 120.092  12.890  -1.382
  340    HE3  LYS  45           HE1      LYS  45 120.110  13.694   0.187
  341    HZ1  LYS  45           HZ1      LYS  45 122.457  13.226  -1.575
  342    HZ2  LYS  45           HZ2      LYS  45 122.533  13.913  -0.031
  343    HZ3  LYS  45           HZ3      LYS  45 121.707  14.711  -1.272
  344    H    THR  46           HN       THR  46 124.237   8.091   0.229
  345    HA   THR  46           HA       THR  46 124.061   6.134   1.374
  346    HB   THR  46           HB       THR  46 121.840   5.698   2.319
  347    HG1  THR  46           HG1      THR  46 120.558   6.060   0.494
  348   HG21  THR  46          HG21      THR  46 122.344   8.655   2.094
  349   HG22  THR  46          HG22      THR  46 123.101   7.568   3.258
  350   HG23  THR  46          HG23      THR  46 121.361   7.850   3.317
  351    H    VAL  47           HN       VAL  47 124.634   5.419  -1.100
  352    HA   VAL  47           HA       VAL  47 122.676   3.400  -1.936
  353    HB   VAL  47           HB       VAL  47 123.484   5.021  -3.633
  354   HG11  VAL  47          HG11      VAL  47 125.781   4.688  -4.553
  355   HG12  VAL  47          HG12      VAL  47 126.141   3.689  -3.146
  356   HG13  VAL  47          HG13      VAL  47 125.736   5.391  -2.937
  357   HG21  VAL  47          HG21      VAL  47 123.458   3.496  -5.347
  358   HG22  VAL  47          HG22      VAL  47 122.813   2.520  -4.028
  359   HG23  VAL  47          HG23      VAL  47 124.505   2.359  -4.498
  360    H    TRP  48           HN       TRP  48 125.017   3.391   0.239
  361    HA   TRP  48           HA       TRP  48 126.076   0.761  -0.562
  362    HB2  TRP  48           HB2      TRP  48 127.358   2.840   1.225
  363    HB3  TRP  48           HB1      TRP  48 128.025   1.247   0.884
  364    HD1  TRP  48           HD1      TRP  48 127.274   4.593  -0.882
  365    HE1  TRP  48           HE1      TRP  48 128.810   4.784  -2.938
  366    HE3  TRP  48           HE3      TRP  48 129.420  -0.047  -0.727
  367    HZ2  TRP  48           HZ2      TRP  48 130.684   3.180  -4.312
  368    HZ3  TRP  48           HZ3      TRP  48 131.074  -0.640  -2.450
  369    HH2  TRP  48           HH2      TRP  48 131.691   0.942  -4.205
  370    H    VAL  49           HN       VAL  49 126.004  -0.916   0.890
  371    HA   VAL  49           HA       VAL  49 124.381  -0.460   3.305
  372    HB   VAL  49           HB       VAL  49 123.397  -2.027   1.678
  373   HG11  VAL  49          HG11      VAL  49 125.468  -2.892   0.704
  374   HG12  VAL  49          HG12      VAL  49 124.423  -4.199   1.256
  375   HG13  VAL  49          HG13      VAL  49 125.828  -3.732   2.212
  376   HG21  VAL  49          HG21      VAL  49 124.299  -3.513   4.140
  377   HG22  VAL  49          HG22      VAL  49 122.811  -3.747   3.224
  378   HG23  VAL  49          HG23      VAL  49 123.052  -2.266   4.151
  379    H    GLU  50           HN       GLU  50 125.064  -1.179   5.307
  380    HA   GLU  50           HA       GLU  50 127.910  -1.774   5.534
  381    HB2  GLU  50           HB2      GLU  50 126.896  -0.017   6.955
  382    HB3  GLU  50           HB1      GLU  50 125.855  -1.228   7.689
  383    HG2  GLU  50           HG2      GLU  50 128.417  -2.246   8.001
  384    HG3  GLU  50           HG1      GLU  50 128.587  -0.518   8.302
  385    H    GLY  51           HN       GLY  51 128.660  -3.768   5.765
  386    HA2  GLY  51           HA2      GLY  51 126.846  -5.851   6.818
  387    HA3  GLY  51           HA1      GLY  51 128.024  -6.150   5.549
  388    H    LEU  52           HN       LEU  52 127.851  -7.629   7.976
  389    HA   LEU  52           HA       LEU  52 130.316  -6.779   9.347
  390    HB2  LEU  52           HB2      LEU  52 127.915  -7.225  10.498
  391    HB3  LEU  52           HB1      LEU  52 128.604  -8.834  10.605
  392    HG   LEU  52           HG       LEU  52 130.629  -7.117  11.501
  393   HD11  LEU  52          HD11      LEU  52 129.686  -5.692  13.109
  394   HD12  LEU  52          HD12      LEU  52 128.088  -6.419  12.940
  395   HD13  LEU  52          HD13      LEU  52 128.743  -5.419  11.644
  396   HD21  LEU  52          HD21      LEU  52 129.666  -8.122  13.784
  397   HD22  LEU  52          HD22      LEU  52 130.578  -9.086  12.622
  398   HD23  LEU  52          HD23      LEU  52 128.816  -9.160  12.639
  399    H    SER  53           HN       SER  53 132.058  -8.050   9.301
  400    HA   SER  53           HA       SER  53 131.808 -10.709   8.062
  401    HB2  SER  53           HB2      SER  53 133.277  -8.678   7.105
  402    HB3  SER  53           HB1      SER  53 134.460  -9.366   8.218
  403    HG   SER  53           HG       SER  53 133.284 -10.498   5.935
  404    H    GLU  54           HN       GLU  54 133.077 -12.432   8.891
  405    HA   GLU  54           HA       GLU  54 133.035 -12.885  11.576
  406    HB2  GLU  54           HB2      GLU  54 134.549 -14.048   9.320
  407    HB3  GLU  54           HB1      GLU  54 135.205 -14.374  10.919
  408    HG2  GLU  54           HG2      GLU  54 132.699 -15.007  11.441
  409    HG3  GLU  54           HG1      GLU  54 132.647 -15.256   9.698
  410    H    ASP  55           HN       ASP  55 134.499 -12.820  13.287
  411    HA   ASP  55           HA       ASP  55 136.305 -12.157  14.529
  412    HB2  ASP  55           HB2      ASP  55 137.492 -12.257  12.103
  413    HB3  ASP  55           HB1      ASP  55 137.593 -10.528  12.421
  414    H    GLY  56           HN       GLY  56 135.284  -9.672  12.170
  415    HA2  GLY  56           HA2      GLY  56 133.806  -7.963  13.441
  416    HA3  GLY  56           HA1      GLY  56 135.291  -7.686  14.339
  417    H    PHE  57           HN       PHE  57 134.584  -8.145  10.872
  418    HA   PHE  57           HA       PHE  57 135.968  -5.593  10.354
  419    HB2  PHE  57           HB2      PHE  57 135.766  -7.851   8.366
  420    HB3  PHE  57           HB1      PHE  57 136.844  -6.465   8.329
  421    HD1  PHE  57           HD2      PHE  57 138.293  -6.359  10.691
  422    HD2  PHE  57           HD1      PHE  57 136.814  -9.835   8.728
  423    HE1  PHE  57           HE2      PHE  57 140.049  -7.710  11.763
  424    HE2  PHE  57           HE1      PHE  57 138.567 -11.189   9.796
  425    HZ   PHE  57           HZ       PHE  57 140.187 -10.127  11.314
  426    H    THR  58           HN       THR  58 134.652  -4.044   9.644
  427    HA   THR  58           HA       THR  58 132.013  -4.700   8.671
  428    HB   THR  58           HB       THR  58 133.113  -1.915   8.637
  429    HG1  THR  58           HG1      THR  58 132.347  -3.337  10.971
  430   HG21  THR  58          HG21      THR  58 130.582  -2.286   9.940
  431   HG22  THR  58          HG22      THR  58 130.571  -3.001   8.329
  432   HG23  THR  58          HG23      THR  58 130.995  -1.302   8.537
  433    H    TYR  59           HN       TYR  59 131.532  -5.060   6.628
  434    HA   TYR  59           HA       TYR  59 133.259  -3.929   4.529
  435    HB2  TYR  59           HB2      TYR  59 132.813  -5.816   3.156
  436    HB3  TYR  59           HB1      TYR  59 133.203  -6.451   4.748
  437    HD1  TYR  59           HD1      TYR  59 131.469  -7.493   6.131
  438    HD2  TYR  59           HD2      TYR  59 130.599  -6.045   2.225
  439    HE1  TYR  59           HE1      TYR  59 129.373  -8.779   6.127
  440    HE2  TYR  59           HE2      TYR  59 128.501  -7.323   2.212
  441    HH   TYR  59           HH       TYR  59 127.732  -9.613   3.591
  442    H    TYR  60           HN       TYR  60 132.296  -2.981   2.707
  443    HA   TYR  60           HA       TYR  60 129.415  -2.406   3.003
  444    HB2  TYR  60           HB2      TYR  60 131.602  -0.595   1.957
  445    HB3  TYR  60           HB1      TYR  60 129.886  -0.214   1.917
  446    HD1  TYR  60           HD2      TYR  60 128.686  -0.394   4.292
  447    HD2  TYR  60           HD1      TYR  60 132.855   0.238   3.709
  448    HE1  TYR  60           HE2      TYR  60 128.848   0.587   6.541
  449    HE2  TYR  60           HE1      TYR  60 133.027   1.216   5.956
  450    HH   TYR  60           HH       TYR  60 131.457   0.880   8.238
  451    H    TYR  61           HN       TYR  61 128.133  -2.483   1.199
  452    HA   TYR  61           HA       TYR  61 129.415  -3.370  -1.303
  453    HB2  TYR  61           HB2      TYR  61 128.336  -5.275  -0.305
  454    HB3  TYR  61           HB1      TYR  61 126.867  -4.356  -0.011
  455    HD1  TYR  61           HD2      TYR  61 129.000  -5.747  -2.725
  456    HD2  TYR  61           HD1      TYR  61 125.153  -4.304  -1.612
  457    HE1  TYR  61           HE2      TYR  61 128.091  -6.525  -4.873
  458    HE2  TYR  61           HE1      TYR  61 124.235  -5.079  -3.756
  459    HH   TYR  61           HH       TYR  61 124.800  -6.805  -5.489
  460    H    ASN  62           HN       ASN  62 128.304  -2.811  -3.275
  461    HA   ASN  62           HA       ASN  62 126.608  -0.415  -2.983
  462    HB2  ASN  62           HB2      ASN  62 128.988  -0.329  -4.082
  463    HB3  ASN  62           HB1      ASN  62 128.169  -1.018  -5.476
  464   HD21  ASN  62          HD21      ASN  62 128.327   0.717  -6.811
  465   HD22  ASN  62          HD22      ASN  62 127.544   2.229  -6.514
  466    H    THR  63           HN       THR  63 124.571  -0.617  -3.626
  467    HA   THR  63           HA       THR  63 123.633  -2.971  -4.956
  468    HB   THR  63           HB       THR  63 121.420  -1.729  -4.917
  469    HG1  THR  63           HG1      THR  63 121.979   0.376  -4.851
  470   HG21  THR  63          HG21      THR  63 121.200  -2.838  -3.021
  471   HG22  THR  63          HG22      THR  63 121.862  -1.434  -2.183
  472   HG23  THR  63          HG23      THR  63 122.931  -2.741  -2.695
  473    H    GLU  64           HN       GLU  64 124.419   0.290  -5.975
  474    HA   GLU  64           HA       GLU  64 123.060   0.295  -8.444
  475    HB2  GLU  64           HB2      GLU  64 124.229   2.218  -7.125
  476    HB3  GLU  64           HB1      GLU  64 125.636   1.760  -8.076
  477    HG2  GLU  64           HG2      GLU  64 124.364   3.588  -9.079
  478    HG3  GLU  64           HG1      GLU  64 124.452   2.176 -10.122
  479    H    THR  65           HN       THR  65 126.591   0.002  -7.980
  480    HA   THR  65           HA       THR  65 126.919  -1.170 -10.584
  481    HB   THR  65           HB       THR  65 129.319  -1.342  -9.935
  482    HG1  THR  65           HG1      THR  65 129.799  -1.291  -7.909
  483   HG21  THR  65          HG21      THR  65 129.824   0.900 -10.089
  484   HG22  THR  65          HG22      THR  65 128.427   1.388  -9.131
  485   HG23  THR  65          HG23      THR  65 128.205   0.826 -10.787
  486    H    GLY  66           HN       GLY  66 127.342  -2.353  -7.246
  487    HA2  GLY  66           HA2      GLY  66 126.672  -4.540  -6.575
  488    HA3  GLY  66           HA1      GLY  66 126.851  -5.074  -8.236
  489    H    GLU  67           HN       GLU  67 129.149  -3.252  -6.225
  490    HA   GLU  67           HA       GLU  67 130.957  -5.572  -6.312
  491    HB2  GLU  67           HB2      GLU  67 131.363  -3.408  -7.881
  492    HB3  GLU  67           HB1      GLU  67 132.205  -2.886  -6.430
  493    HG2  GLU  67           HG2      GLU  67 133.740  -4.651  -6.547
  494    HG3  GLU  67           HG1      GLU  67 132.741  -5.559  -7.680
  495    H    SER  68           HN       SER  68 131.942  -6.063  -4.441
  496    HA   SER  68           HA       SER  68 131.145  -4.712  -2.056
  497    HB2  SER  68           HB2      SER  68 133.085  -6.391  -1.187
  498    HB3  SER  68           HB1      SER  68 131.427  -6.898  -1.499
  499    HG   SER  68           HG       SER  68 133.667  -7.709  -2.699
  500    H    ARG  69           HN       ARG  69 132.398  -3.566  -0.589
  501    HA   ARG  69           HA       ARG  69 135.046  -2.672  -1.507
  502    HB2  ARG  69           HB2      ARG  69 132.895  -1.086  -1.787
  503    HB3  ARG  69           HB1      ARG  69 133.315  -0.691  -0.127
  504    HG2  ARG  69           HG2      ARG  69 134.544   0.883  -1.195
  505    HG3  ARG  69           HG1      ARG  69 135.725  -0.428  -1.188
  506    HD2  ARG  69           HD2      ARG  69 135.423  -0.894  -3.428
  507    HD3  ARG  69           HD1      ARG  69 133.812  -0.177  -3.469
  508    HE   ARG  69           HE       ARG  69 135.436   1.934  -2.953
  509   HH11  ARG  69          HH11      ARG  69 135.411  -0.526  -5.453
  510   HH12  ARG  69          HH12      ARG  69 136.143   0.502  -6.638
  511   HH21  ARG  69          HH21      ARG  69 136.394   3.277  -4.523
  512   HH22  ARG  69          HH22      ARG  69 136.701   2.658  -6.111
  513    H    TRP  70           HN       TRP  70 136.410  -1.796   0.196
  514    HA   TRP  70           HA       TRP  70 135.637  -2.678   2.901
  515    HB2  TRP  70           HB2      TRP  70 138.357  -2.977   1.602
  516    HB3  TRP  70           HB1      TRP  70 137.987  -3.362   3.279
  517    HD1  TRP  70           HD1      TRP  70 137.594  -4.699  -0.257
  518    HE1  TRP  70           HE1      TRP  70 136.741  -7.124  -0.150
  519    HE3  TRP  70           HE3      TRP  70 136.553  -4.976   4.743
  520    HZ2  TRP  70           HZ2      TRP  70 135.759  -8.918   1.796
  521    HZ3  TRP  70           HZ3      TRP  70 135.659  -7.084   5.646
  522    HH2  TRP  70           HH2      TRP  70 135.271  -9.013   4.201
  523    H    GLU  71           HN       GLU  71 135.473  -0.036   1.666
  524    HA   GLU  71           HA       GLU  71 136.966   1.439   3.678
  525    HB2  GLU  71           HB2      GLU  71 137.459   1.615   0.749
  526    HB3  GLU  71           HB1      GLU  71 137.417   3.129   1.643
  527    HG2  GLU  71           HG2      GLU  71 139.024   1.367   3.134
  528    HG3  GLU  71           HG1      GLU  71 139.514   1.200   1.449
  529    H    LYS  72           HN       LYS  72 135.597   2.812   4.622
  530    HA   LYS  72           HA       LYS  72 132.976   3.259   3.665
  531    HB2  LYS  72           HB2      LYS  72 132.734   4.794   5.545
  532    HB3  LYS  72           HB1      LYS  72 133.559   3.329   6.057
  533    HG2  LYS  72           HG2      LYS  72 135.727   4.645   5.690
  534    HG3  LYS  72           HG1      LYS  72 134.694   6.073   5.652
  535    HD2  LYS  72           HD2      LYS  72 134.073   4.349   7.898
  536    HD3  LYS  72           HD1      LYS  72 135.763   4.857   7.904
  537    HE2  LYS  72           HE2      LYS  72 134.990   6.709   8.906
  538    HE3  LYS  72           HE1      LYS  72 134.493   7.185   7.283
  539    HZ1  LYS  72           HZ1      LYS  72 132.625   7.453   8.663
  540    HZ2  LYS  72           HZ2      LYS  72 132.830   5.942   9.396
  541    HZ3  LYS  72           HZ3      LYS  72 132.331   6.038   7.782
  542    HA   PRO  73           HA       PRO  73 133.906   6.466   0.680
  543    HB2  PRO  73           HB2      PRO  73 130.994   6.987   0.859
  544    HB3  PRO  73           HB1      PRO  73 131.977   6.587  -0.551
  545    HG2  PRO  73           HG2      PRO  73 130.305   4.797   0.507
  546    HG3  PRO  73           HG1      PRO  73 131.887   4.305  -0.130
  547    HD2  PRO  73           HD2      PRO  73 131.034   4.731   2.712
  548    HD3  PRO  73           HD1      PRO  73 132.044   3.442   2.021
  549    H    ASP  74           HN       ASP  74 135.008   7.715   2.309
  550    HA   ASP  74           HA       ASP  74 133.386   9.738   3.680
  551    HB2  ASP  74           HB2      ASP  74 135.529   8.174   4.526
  552    HB3  ASP  74           HB1      ASP  74 136.239   9.762   4.273
  553    H    ASP  75           HN       ASP  75 133.230  11.699   2.766
  554    HA   ASP  75           HA       ASP  75 135.539  12.753   1.291
  555    HB2  ASP  75           HB2      ASP  75 132.772  12.353   0.276
  556    HB3  ASP  75           HB1      ASP  75 133.592  13.840  -0.189
  Start of MODEL   15
    1    H1   ASP   1           HT1      ASP   1  96.036 -10.771 -11.867
    2    H2   ASP   1           HT2      ASP   1  96.385 -11.866 -13.142
    3    H3   ASP   1           HT3      ASP   1  95.297 -10.564 -13.400
    4    HA   ASP   1           HA       ASP   1  98.203 -10.481 -12.995
    5    HB2  ASP   1           HB2      ASP   1  96.830 -10.831 -15.261
    6    HB3  ASP   1           HB1      ASP   1  96.717  -9.076 -15.167
    7    HA   PRO   2           HA       PRO   2  96.771  -6.772 -10.696
    8    HB2  PRO   2           HB2      PRO   2  98.978  -6.587  -9.130
    9    HB3  PRO   2           HB1      PRO   2  97.633  -7.675  -8.768
   10    HG2  PRO   2           HG2      PRO   2 100.259  -8.280 -10.077
   11    HG3  PRO   2           HG1      PRO   2  99.391  -9.199  -8.832
   12    HD2  PRO   2           HD2      PRO   2  99.337  -9.882 -11.451
   13    HD3  PRO   2           HD1      PRO   2  97.962 -10.162 -10.362
   14    H    SER   3           HN       SER   3  97.397  -4.610 -10.803
   15    HA   SER   3           HA       SER   3  99.476  -4.021 -12.790
   16    HB2  SER   3           HB2      SER   3  97.066  -3.242 -13.115
   17    HB3  SER   3           HB1      SER   3  97.369  -2.102 -11.804
   18    HG   SER   3           HG       SER   3  98.088  -0.899 -13.380
   19    H    LYS   4           HN       LYS   4  98.437  -3.244  -9.514
   20    HA   LYS   4           HA       LYS   4 101.098  -2.288  -8.891
   21    HB2  LYS   4           HB2      LYS   4 100.241  -0.169  -7.883
   22    HB3  LYS   4           HB1      LYS   4 100.133  -0.223  -9.636
   23    HG2  LYS   4           HG2      LYS   4  97.902  -0.055  -9.623
   24    HG3  LYS   4           HG1      LYS   4  97.727  -1.178  -8.274
   25    HD2  LYS   4           HD2      LYS   4  96.926   1.035  -7.654
   26    HD3  LYS   4           HD1      LYS   4  98.358   0.609  -6.715
   27    HE2  LYS   4           HE2      LYS   4  98.494   2.916  -7.455
   28    HE3  LYS   4           HE1      LYS   4  99.741   1.950  -8.239
   29    HZ1  LYS   4           HZ1      LYS   4  98.625   3.479  -9.774
   30    HZ2  LYS   4           HZ2      LYS   4  97.149   2.706  -9.482
   31    HZ3  LYS   4           HZ3      LYS   4  98.410   1.864 -10.231
   32    H    GLY   5           HN       GLY   5 101.019  -1.445  -6.443
   33    HA2  GLY   5           HA2      GLY   5  99.387  -3.395  -4.935
   34    HA3  GLY   5           HA1      GLY   5 101.065  -3.062  -4.538
   35    H    ARG   6           HN       ARG   6  98.386  -2.729  -3.105
   36    HA   ARG   6           HA       ARG   6  98.159   0.108  -2.675
   37    HB2  ARG   6           HB2      ARG   6  96.958  -2.123  -1.026
   38    HB3  ARG   6           HB1      ARG   6  96.445  -0.443  -1.062
   39    HG2  ARG   6           HG2      ARG   6  96.310  -2.280  -3.442
   40    HG3  ARG   6           HG1      ARG   6  94.979  -2.031  -2.311
   41    HD2  ARG   6           HD2      ARG   6  96.277   0.327  -3.608
   42    HD3  ARG   6           HD1      ARG   6  95.118  -0.637  -4.518
   43    HE   ARG   6           HE       ARG   6  93.420   0.052  -3.067
   44   HH11  ARG   6          HH11      ARG   6  96.513   1.421  -2.140
   45   HH12  ARG   6          HH12      ARG   6  95.811   2.621  -1.111
   46   HH21  ARG   6          HH21      ARG   6  92.507   1.638  -1.701
   47   HH22  ARG   6          HH22      ARG   6  93.542   2.744  -0.861
   48    H    TRP   7           HN       TRP   7 100.123   0.847  -1.900
   49    HA   TRP   7           HA       TRP   7 100.831  -0.052   0.816
   50    HB2  TRP   7           HB2      TRP   7 102.696   0.677  -1.450
   51    HB3  TRP   7           HB1      TRP   7 103.216   0.482   0.221
   52    HD1  TRP   7           HD1      TRP   7 102.012  -1.539  -2.799
   53    HE1  TRP   7           HE1      TRP   7 102.564  -4.021  -2.400
   54    HE3  TRP   7           HE3      TRP   7 103.593  -1.250   2.053
   55    HZ2  TRP   7           HZ2      TRP   7 103.542  -5.643  -0.305
   56    HZ3  TRP   7           HZ3      TRP   7 104.320  -3.311   3.182
   57    HH2  TRP   7           HH2      TRP   7 104.295  -5.461   2.026
   58    H    VAL   8           HN       VAL   8 101.187   1.513   2.314
   59    HA   VAL   8           HA       VAL   8 101.014   4.318   1.409
   60    HB   VAL   8           HB       VAL   8  99.020   3.576   2.666
   61   HG11  VAL   8          HG11      VAL   8 100.934   3.191   4.965
   62   HG12  VAL   8          HG12      VAL   8 100.106   1.904   4.089
   63   HG13  VAL   8          HG13      VAL   8  99.178   3.061   5.042
   64   HG21  VAL   8          HG21      VAL   8  98.808   5.515   3.925
   65   HG22  VAL   8          HG22      VAL   8 100.086   5.938   2.785
   66   HG23  VAL   8          HG23      VAL   8 100.494   5.486   4.440
   67    H    GLU   9           HN       GLU   9 102.306   5.875   2.446
   68    HA   GLU   9           HA       GLU   9 104.655   4.764   3.812
   69    HB2  GLU   9           HB2      GLU   9 105.080   6.088   1.781
   70    HB3  GLU   9           HB1      GLU   9 104.283   7.472   2.516
   71    HG2  GLU   9           HG2      GLU   9 106.364   6.453   4.231
   72    HG3  GLU   9           HG1      GLU   9 106.990   6.814   2.626
   73    H    GLY  10           HN       GLY  10 105.125   5.210   5.878
   74    HA2  GLY  10           HA2      GLY  10 103.688   7.418   7.197
   75    HA3  GLY  10           HA1      GLY  10 103.673   5.813   7.909
   76    H    ILE  11           HN       ILE  11 104.704   8.373   8.967
   77    HA   ILE  11           HA       ILE  11 107.590   7.911   9.087
   78    HB   ILE  11           HB       ILE  11 106.054  10.124  10.444
   79   HG12  ILE  11          HG12      ILE  11 105.624  10.180   8.016
   80   HG13  ILE  11          HG11      ILE  11 106.601  11.547   8.537
   81   HG21  ILE  11          HG21      ILE  11 108.957   9.872   9.667
   82   HG22  ILE  11          HG22      ILE  11 108.302   9.734  11.299
   83   HG23  ILE  11          HG23      ILE  11 108.213  11.271  10.441
   84   HD11  ILE  11          HD11      ILE  11 107.219  10.298   6.369
   85   HD12  ILE  11          HD12      ILE  11 107.913   9.093   7.453
   86   HD13  ILE  11          HD13      ILE  11 108.500  10.755   7.491
   87    H    THR  12           HN       THR  12 108.708   7.425  10.973
   88    HA   THR  12           HA       THR  12 107.076   6.748  13.329
   89    HB   THR  12           HB       THR  12 109.026   4.935  13.588
   90    HG1  THR  12           HG1      THR  12 109.918   5.638  11.515
   91   HG21  THR  12          HG21      THR  12 106.339   4.838  12.576
   92   HG22  THR  12          HG22      THR  12 107.215   3.668  13.562
   93   HG23  THR  12          HG23      THR  12 107.349   3.616  11.804
   94    H    SER  13           HN       SER  13 108.323   6.635  15.359
   95    HA   SER  13           HA       SER  13 109.640   8.936  16.011
   96    HB2  SER  13           HB2      SER  13 108.805   6.961  17.507
   97    HB3  SER  13           HB1      SER  13 110.465   6.384  17.355
   98    HG   SER  13           HG       SER  13 111.038   7.836  18.748
   99    H    GLU  14           HN       GLU  14 111.808   9.514  16.423
  100    HA   GLU  14           HA       GLU  14 114.074   9.559  16.166
  101    HB2  GLU  14           HB2      GLU  14 113.601   6.829  16.046
  102    HB3  GLU  14           HB1      GLU  14 114.462   7.166  14.551
  103    HG2  GLU  14           HG2      GLU  14 115.993   6.541  16.325
  104    HG3  GLU  14           HG1      GLU  14 116.268   8.204  15.806
  105    H    GLY  15           HN       GLY  15 112.549   8.073  13.281
  106    HA2  GLY  15           HA2      GLY  15 112.310   9.932  11.488
  107    HA3  GLY  15           HA1      GLY  15 114.063   9.965  11.612
  108    H    TYR  16           HN       TYR  16 111.660   7.334  11.488
  109    HA   TYR  16           HA       TYR  16 113.155   6.210   9.207
  110    HB2  TYR  16           HB2      TYR  16 111.517   4.586  11.156
  111    HB3  TYR  16           HB1      TYR  16 112.690   4.008   9.979
  112    HD1  TYR  16           HD1      TYR  16 115.130   5.146  10.354
  113    HD2  TYR  16           HD2      TYR  16 112.180   4.521  13.358
  114    HE1  TYR  16           HE1      TYR  16 116.884   5.182  12.076
  115    HE2  TYR  16           HE2      TYR  16 113.928   4.556  15.087
  116    HH   TYR  16           HH       TYR  16 117.139   4.204  14.468
  117    H    HIS  17           HN       HIS  17 111.932   5.158   7.565
  118    HA   HIS  17           HA       HIS  17 109.131   6.065   7.464
  119    HB2  HIS  17           HB2      HIS  17 111.090   5.505   5.232
  120    HB3  HIS  17           HB1      HIS  17 109.383   5.848   4.976
  121    HD1  HIS  17           HD1      HIS  17 109.762   8.037   3.730
  122    HD2  HIS  17           HD2      HIS  17 111.499   7.973   7.505
  123    HE1  HIS  17           HE1      HIS  17 110.474  10.405   4.183
  124    HE2  HIS  17           HE2      HIS  17 111.435  10.360   6.512
  125    H    TYR  18           HN       TYR  18 107.682   4.529   7.772
  126    HA   TYR  18           HA       TYR  18 108.342   1.777   6.969
  127    HB2  TYR  18           HB2      TYR  18 106.990   0.945   8.715
  128    HB3  TYR  18           HB1      TYR  18 107.917   2.255   9.431
  129    HD1  TYR  18           HD2      TYR  18 106.763   4.519   9.711
  130    HD2  TYR  18           HD1      TYR  18 104.652   0.935   8.814
  131    HE1  TYR  18           HE2      TYR  18 104.681   5.553  10.510
  132    HE2  TYR  18           HE1      TYR  18 102.563   1.958   9.612
  133    HH   TYR  18           HH       TYR  18 102.137   5.180  10.034
  134    H    TYR  19           HN       TYR  19 106.725   0.489   5.984
  135    HA   TYR  19           HA       TYR  19 104.524   2.029   4.775
  136    HB2  TYR  19           HB2      TYR  19 106.100  -0.169   3.417
  137    HB3  TYR  19           HB1      TYR  19 104.827   0.811   2.696
  138    HD1  TYR  19           HD2      TYR  19 105.250   3.349   2.543
  139    HD2  TYR  19           HD1      TYR  19 108.337   0.505   3.250
  140    HE1  TYR  19           HE2      TYR  19 106.926   4.992   1.815
  141    HE2  TYR  19           HE1      TYR  19 110.019   2.145   2.535
  142    HH   TYR  19           HH       TYR  19 109.586   5.282   2.391
  143    H    TYR  20           HN       TYR  20 102.575   0.910   4.384
  144    HA   TYR  20           HA       TYR  20 102.374  -1.717   5.703
  145    HB2  TYR  20           HB2      TYR  20 101.424  -0.031   7.181
  146    HB3  TYR  20           HB1      TYR  20 100.406   0.573   5.878
  147    HD1  TYR  20           HD1      TYR  20 100.896  -2.119   8.314
  148    HD2  TYR  20           HD2      TYR  20  98.427  -0.646   5.178
  149    HE1  TYR  20           HE1      TYR  20  99.129  -3.698   8.971
  150    HE2  TYR  20           HE2      TYR  20  96.653  -2.218   5.824
  151    HH   TYR  20           HH       TYR  20  96.136  -3.486   8.334
  152    H    ASP  21           HN       ASP  21 100.841  -3.170   4.889
  153    HA   ASP  21           HA       ASP  21  99.821  -2.525   2.198
  154    HB2  ASP  21           HB2      ASP  21 101.678  -4.161   2.178
  155    HB3  ASP  21           HB1      ASP  21 100.743  -5.218   3.228
  156    H    LEU  22           HN       LEU  22  97.671  -2.541   2.033
  157    HA   LEU  22           HA       LEU  22  96.061  -3.612   4.184
  158    HB2  LEU  22           HB2      LEU  22  94.152  -2.789   2.665
  159    HB3  LEU  22           HB1      LEU  22  95.176  -1.614   3.460
  160    HG   LEU  22           HG       LEU  22  95.996  -2.396   0.726
  161   HD11  LEU  22          HD11      LEU  22  94.326  -0.728  -0.199
  162   HD12  LEU  22          HD12      LEU  22  93.446  -0.919   1.318
  163   HD13  LEU  22          HD13      LEU  22  93.689  -2.308   0.259
  164   HD21  LEU  22          HD21      LEU  22  97.088  -0.454   0.840
  165   HD22  LEU  22          HD22      LEU  22  96.650  -0.425   2.548
  166   HD23  LEU  22          HD23      LEU  22  95.648   0.418   1.365
  167    H    ILE  23           HN       ILE  23  96.986  -4.598   0.972
  168    HA   ILE  23           HA       ILE  23  94.908  -6.339   0.327
  169    HB   ILE  23           HB       ILE  23  97.825  -6.822  -0.287
  170   HG12  ILE  23          HG12      ILE  23  96.203  -5.574  -2.375
  171   HG13  ILE  23          HG11      ILE  23  96.360  -4.563  -0.943
  172   HG21  ILE  23          HG21      ILE  23  95.257  -7.915  -1.335
  173   HG22  ILE  23          HG22      ILE  23  96.770  -8.743  -0.971
  174   HG23  ILE  23          HG23      ILE  23  96.633  -7.758  -2.427
  175   HD11  ILE  23          HD11      ILE  23  98.441  -4.026  -1.458
  176   HD12  ILE  23          HD12      ILE  23  98.166  -4.794  -3.021
  177   HD13  ILE  23          HD13      ILE  23  98.894  -5.712  -1.702
  178    H    SER  24           HN       SER  24  97.873  -6.975   2.175
  179    HA   SER  24           HA       SER  24  96.785  -9.586   2.962
  180    HB2  SER  24           HB2      SER  24  99.580  -8.462   2.919
  181    HB3  SER  24           HB1      SER  24  99.185  -9.911   3.842
  182    HG   SER  24           HG       SER  24  99.541  -9.609   1.167
  183    H    GLY  25           HN       GLY  25  98.248  -6.637   4.314
  184    HA2  GLY  25           HA2      GLY  25  97.362  -5.620   6.298
  185    HA3  GLY  25           HA1      GLY  25  96.856  -7.211   6.842
  186    H    ALA  26           HN       ALA  26 100.032  -6.373   5.528
  187    HA   ALA  26           HA       ALA  26 101.188  -6.943   8.181
  188    HB1  ALA  26           HB1      ALA  26 101.824  -8.770   6.881
  189    HB2  ALA  26           HB2      ALA  26 103.224  -7.700   6.808
  190    HB3  ALA  26           HB3      ALA  26 102.101  -7.777   5.450
  191    H    SER  27           HN       SER  27 103.210  -5.882   8.682
  192    HA   SER  27           HA       SER  27 103.348  -3.206   7.493
  193    HB2  SER  27           HB2      SER  27 104.838  -2.792   9.575
  194    HB3  SER  27           HB1      SER  27 103.101  -2.978   9.814
  195    HG   SER  27           HG       SER  27 103.425  -4.824  10.816
  196    H    GLN  28           HN       GLN  28 105.047  -2.533   6.347
  197    HA   GLN  28           HA       GLN  28 107.463  -4.223   6.286
  198    HB2  GLN  28           HB2      GLN  28 105.921  -4.260   4.228
  199    HB3  GLN  28           HB1      GLN  28 106.467  -2.614   3.940
  200    HG2  GLN  28           HG2      GLN  28 108.484  -3.269   3.208
  201    HG3  GLN  28           HG1      GLN  28 108.605  -4.581   4.380
  202   HE21  GLN  28          HE21      GLN  28 108.647  -6.518   3.508
  203   HE22  GLN  28          HE22      GLN  28 107.891  -6.990   2.028
  204    H    TRP  29           HN       TRP  29 109.401  -2.986   5.390
  205    HA   TRP  29           HA       TRP  29 109.352  -0.182   6.290
  206    HB2  TRP  29           HB2      TRP  29 111.465  -2.266   6.854
  207    HB3  TRP  29           HB1      TRP  29 111.699  -0.541   7.121
  208    HD1  TRP  29           HD1      TRP  29 109.860  -3.571   8.535
  209    HE1  TRP  29           HE1      TRP  29 108.959  -2.981  10.871
  210    HE3  TRP  29           HE3      TRP  29 110.903   1.435   8.568
  211    HZ2  TRP  29           HZ2      TRP  29 108.721  -0.697  12.512
  212    HZ3  TRP  29           HZ3      TRP  29 110.305   2.750  10.561
  213    HH2  TRP  29           HH2      TRP  29 109.236   1.704  12.491
  214    H    GLU  30           HN       GLU  30 111.076  -2.599   4.320
  215    HA   GLU  30           HA       GLU  30 112.566  -0.645   2.853
  216    HB2  GLU  30           HB2      GLU  30 112.160  -3.589   2.718
  217    HB3  GLU  30           HB1      GLU  30 112.707  -2.790   1.251
  218    HG2  GLU  30           HG2      GLU  30 114.771  -2.516   2.039
  219    HG3  GLU  30           HG1      GLU  30 114.195  -1.973   3.615
  220    H    LYS  31           HN       LYS  31 111.782   0.657   1.313
  221    HA   LYS  31           HA       LYS  31 109.150   0.399   0.297
  222    HB2  LYS  31           HB2      LYS  31 110.581   2.531   0.551
  223    HB3  LYS  31           HB1      LYS  31 111.292   2.079  -0.992
  224    HG2  LYS  31           HG2      LYS  31 108.725   1.926  -1.680
  225    HG3  LYS  31           HG1      LYS  31 108.583   3.100  -0.371
  226    HD2  LYS  31           HD2      LYS  31 110.771   3.595  -2.283
  227    HD3  LYS  31           HD1      LYS  31 109.141   3.741  -2.942
  228    HE2  LYS  31           HE2      LYS  31 109.077   5.796  -2.092
  229    HE3  LYS  31           HE1      LYS  31 109.026   5.056  -0.494
  230    HZ1  LYS  31           HZ1      LYS  31 111.239   6.361  -1.867
  231    HZ2  LYS  31           HZ2      LYS  31 111.633   5.006  -0.934
  232    HZ3  LYS  31           HZ3      LYS  31 110.855   6.326  -0.220
  233    HA   PRO  32           HA       PRO  32 110.114  -2.514  -2.971
  234    HB2  PRO  32           HB2      PRO  32 107.662  -2.577  -4.116
  235    HB3  PRO  32           HB1      PRO  32 108.016  -3.390  -2.587
  236    HG2  PRO  32           HG2      PRO  32 106.689  -0.750  -3.068
  237    HG3  PRO  32           HG1      PRO  32 106.245  -2.032  -1.927
  238    HD2  PRO  32           HD2      PRO  32 107.608   0.201  -1.189
  239    HD3  PRO  32           HD1      PRO  32 107.811  -1.365  -0.377
  240    H    GLU  33           HN       GLU  33 109.993  -2.582  -5.375
  241    HA   GLU  33           HA       GLU  33 110.843  -0.129  -6.510
  242    HB2  GLU  33           HB2      GLU  33 111.541  -2.431  -7.281
  243    HB3  GLU  33           HB1      GLU  33 109.955  -2.595  -8.022
  244    HG2  GLU  33           HG2      GLU  33 110.533  -1.366  -9.788
  245    HG3  GLU  33           HG1      GLU  33 111.306  -0.137  -8.791
  246    H    GLY  34           HN       GLY  34 109.634   1.518  -7.176
  247    HA2  GLY  34           HA2      GLY  34 107.930   2.292  -8.737
  248    HA3  GLY  34           HA1      GLY  34 106.922   0.960  -8.193
  249    H    PHE  35           HN       PHE  35 105.699   1.175  -6.357
  250    HA   PHE  35           HA       PHE  35 104.587   2.193  -4.647
  251    HB2  PHE  35           HB2      PHE  35 106.895   2.499  -3.724
  252    HB3  PHE  35           HB1      PHE  35 106.957   4.070  -4.512
  253    HD1  PHE  35           HD1      PHE  35 104.380   2.312  -2.437
  254    HD2  PHE  35           HD2      PHE  35 106.811   5.762  -2.995
  255    HE1  PHE  35           HE1      PHE  35 103.345   3.359  -0.465
  256    HE2  PHE  35           HE2      PHE  35 105.780   6.813  -1.026
  257    HZ   PHE  35           HZ       PHE  35 104.044   5.613   0.240
  258    H    GLN  36           HN       GLN  36 103.370   4.180  -4.106
  259    HA   GLN  36           HA       GLN  36 102.328   5.433  -6.389
  260    HB2  GLN  36           HB2      GLN  36 102.133   6.353  -3.510
  261    HB3  GLN  36           HB1      GLN  36 101.096   6.878  -4.830
  262    HG2  GLN  36           HG2      GLN  36 100.217   4.640  -5.077
  263    HG3  GLN  36           HG1      GLN  36 101.311   4.047  -3.830
  264   HE21  GLN  36          HE21      GLN  36 101.065   5.073  -1.670
  265   HE22  GLN  36          HE22      GLN  36  99.465   5.458  -1.143
  266    H    GLY  37           HN       GLY  37 103.679   6.596  -7.658
  267    HA2  GLY  37           HA2      GLY  37 104.372   8.914  -8.025
  268    HA3  GLY  37           HA1      GLY  37 105.047   8.893  -6.403
  269    H    ASP  38           HN       ASP  38 107.189   8.867  -6.432
  270    HA   ASP  38           HA       ASP  38 109.342   8.410  -6.965
  271    HB2  ASP  38           HB2      ASP  38 108.622   6.083  -6.559
  272    HB3  ASP  38           HB1      ASP  38 108.197   5.931  -8.260
  273    H    LEU  39           HN       LEU  39 109.956   9.990  -8.327
  274    HA   LEU  39           HA       LEU  39 109.420   9.645 -11.196
  275    HB2  LEU  39           HB2      LEU  39 110.476  12.146  -9.900
  276    HB3  LEU  39           HB1      LEU  39 109.712  11.976 -11.469
  277    HG   LEU  39           HG       LEU  39 107.686  11.162  -9.872
  278   HD11  LEU  39          HD11      LEU  39 107.762  13.137  -8.106
  279   HD12  LEU  39          HD12      LEU  39 109.496  12.836  -8.223
  280   HD13  LEU  39          HD13      LEU  39 108.404  11.534  -7.748
  281   HD21  LEU  39          HD21      LEU  39 107.054  12.733 -11.377
  282   HD22  LEU  39          HD22      LEU  39 108.474  13.739 -11.094
  283   HD23  LEU  39          HD23      LEU  39 107.128  13.770  -9.954
  284    H    LYS  40           HN       LYS  40 111.434   8.066  -9.960
  285    HA   LYS  40           HA       LYS  40 113.763   9.005 -11.462
  286    HB2  LYS  40           HB2      LYS  40 113.911   8.002  -8.610
  287    HB3  LYS  40           HB1      LYS  40 115.291   8.373  -9.635
  288    HG2  LYS  40           HG2      LYS  40 113.916  10.713  -9.740
  289    HG3  LYS  40           HG1      LYS  40 113.534  10.158  -8.110
  290    HD2  LYS  40           HD2      LYS  40 115.478  11.180  -7.590
  291    HD3  LYS  40           HD1      LYS  40 116.191   9.676  -8.174
  292    HE2  LYS  40           HE2      LYS  40 117.294  11.648  -9.133
  293    HE3  LYS  40           HE1      LYS  40 116.524  10.657 -10.371
  294    HZ1  LYS  40           HZ1      LYS  40 114.932  12.831  -9.251
  295    HZ2  LYS  40           HZ2      LYS  40 115.014  12.256 -10.840
  296    HZ3  LYS  40           HZ3      LYS  40 116.225  13.276 -10.248
  297    H    LYS  41           HN       LYS  41 114.824   7.396 -12.539
  298    HA   LYS  41           HA       LYS  41 113.593   4.782 -12.552
  299    HB2  LYS  41           HB2      LYS  41 115.900   5.914 -14.150
  300    HB3  LYS  41           HB1      LYS  41 115.211   4.316 -14.396
  301    HG2  LYS  41           HG2      LYS  41 112.978   5.704 -14.649
  302    HG3  LYS  41           HG1      LYS  41 114.113   6.986 -15.078
  303    HD2  LYS  41           HD2      LYS  41 114.647   6.027 -17.046
  304    HD3  LYS  41           HD1      LYS  41 114.630   4.396 -16.371
  305    HE2  LYS  41           HE2      LYS  41 112.029   5.800 -16.654
  306    HE3  LYS  41           HE1      LYS  41 112.814   5.238 -18.128
  307    HZ1  LYS  41           HZ1      LYS  41 112.662   3.321 -15.940
  308    HZ2  LYS  41           HZ2      LYS  41 112.459   3.087 -17.603
  309    HZ3  LYS  41           HZ3      LYS  41 111.194   3.724 -16.679
  310    H    THR  42           HN       THR  42 114.479   4.847 -10.104
  311    HA   THR  42           HA       THR  42 115.714   3.739  -8.554
  312    HB   THR  42           HB       THR  42 117.076   2.229 -10.778
  313    HG1  THR  42           HG1      THR  42 115.281   1.270 -11.261
  314   HG21  THR  42          HG21      THR  42 117.951   1.333  -8.888
  315   HG22  THR  42          HG22      THR  42 116.488   0.357  -9.018
  316   HG23  THR  42          HG23      THR  42 116.537   1.726  -7.908
  317    H    ALA  43           HN       ALA  43 118.009   3.339  -7.798
  318    HA   ALA  43           HA       ALA  43 119.541   5.698  -8.263
  319    HB1  ALA  43           HB1      ALA  43 120.338   3.240  -6.710
  320    HB2  ALA  43           HB2      ALA  43 119.401   4.586  -6.060
  321    HB3  ALA  43           HB3      ALA  43 121.061   4.845  -6.596
  322    H    VAL  44           HN       VAL  44 121.522   5.962  -9.240
  323    HA   VAL  44           HA       VAL  44 122.656   3.669 -10.680
  324    HB   VAL  44           HB       VAL  44 122.301   6.354 -12.006
  325   HG11  VAL  44          HG11      VAL  44 122.504   4.561 -13.998
  326   HG12  VAL  44          HG12      VAL  44 123.474   3.756 -12.764
  327   HG13  VAL  44          HG13      VAL  44 123.887   5.390 -13.285
  328   HG21  VAL  44          HG21      VAL  44 120.086   5.490 -11.591
  329   HG22  VAL  44          HG22      VAL  44 120.543   3.913 -12.234
  330   HG23  VAL  44          HG23      VAL  44 120.469   5.313 -13.303
  331    H    LYS  45           HN       LYS  45 123.595   4.906  -8.292
  332    HA   LYS  45           HA       LYS  45 126.234   5.753  -9.215
  333    HB2  LYS  45           HB2      LYS  45 124.556   7.329  -7.252
  334    HB3  LYS  45           HB1      LYS  45 126.280   7.578  -7.493
  335    HG2  LYS  45           HG2      LYS  45 125.934   8.299  -9.743
  336    HG3  LYS  45           HG1      LYS  45 124.230   7.842  -9.680
  337    HD2  LYS  45           HD2      LYS  45 124.299  10.193  -9.408
  338    HD3  LYS  45           HD1      LYS  45 123.972   9.520  -7.811
  339    HE2  LYS  45           HE2      LYS  45 125.981  10.173  -6.976
  340    HE3  LYS  45           HE1      LYS  45 126.817   9.939  -8.510
  341    HZ1  LYS  45           HZ1      LYS  45 125.151  12.248  -7.685
  342    HZ2  LYS  45           HZ2      LYS  45 125.620  11.990  -9.289
  343    HZ3  LYS  45           HZ3      LYS  45 126.792  12.245  -8.097
  344    H    THR  46           HN       THR  46 126.748   3.578  -8.509
  345    HA   THR  46           HA       THR  46 127.081   3.406  -5.587
  346    HB   THR  46           HB       THR  46 126.960   0.803  -6.176
  347    HG1  THR  46           HG1      THR  46 126.393   0.698  -8.220
  348   HG21  THR  46          HG21      THR  46 125.378   1.093  -4.651
  349   HG22  THR  46          HG22      THR  46 124.268   1.323  -6.002
  350   HG23  THR  46          HG23      THR  46 125.008   2.720  -5.222
  351    H    VAL  47           HN       VAL  47 129.191   3.762  -5.297
  352    HA   VAL  47           HA       VAL  47 131.115   2.446  -7.086
  353    HB   VAL  47           HB       VAL  47 131.342   4.879  -6.893
  354   HG11  VAL  47          HG11      VAL  47 131.281   6.013  -4.980
  355   HG12  VAL  47          HG12      VAL  47 132.455   4.945  -4.213
  356   HG13  VAL  47          HG13      VAL  47 130.745   4.514  -4.223
  357   HG21  VAL  47          HG21      VAL  47 133.732   3.860  -5.451
  358   HG22  VAL  47          HG22      VAL  47 133.622   4.874  -6.890
  359   HG23  VAL  47          HG23      VAL  47 133.324   3.140  -7.009
  360    H    TRP  48           HN       TRP  48 129.848   2.302  -3.891
  361    HA   TRP  48           HA       TRP  48 132.089   0.587  -3.037
  362    HB2  TRP  48           HB2      TRP  48 130.134   2.192  -1.377
  363    HB3  TRP  48           HB1      TRP  48 131.267   1.026  -0.703
  364    HD1  TRP  48           HD1      TRP  48 131.105   4.525  -2.201
  365    HE1  TRP  48           HE1      TRP  48 133.344   5.718  -1.774
  366    HE3  TRP  48           HE3      TRP  48 133.785   0.583  -0.356
  367    HZ2  TRP  48           HZ2      TRP  48 135.909   5.072  -0.782
  368    HZ3  TRP  48           HZ3      TRP  48 136.124   0.953   0.309
  369    HH2  TRP  48           HH2      TRP  48 137.163   3.153   0.099
  370    H    VAL  49           HN       VAL  49 131.652  -1.433  -2.147
  371    HA   VAL  49           HA       VAL  49 128.897  -2.414  -2.549
  372    HB   VAL  49           HB       VAL  49 131.192  -4.314  -2.330
  373   HG11  VAL  49          HG11      VAL  49 129.826  -5.644  -3.842
  374   HG12  VAL  49          HG12      VAL  49 128.671  -4.320  -3.987
  375   HG13  VAL  49          HG13      VAL  49 128.890  -5.134  -2.437
  376   HG21  VAL  49          HG21      VAL  49 131.545  -4.187  -4.786
  377   HG22  VAL  49          HG22      VAL  49 132.077  -2.744  -3.923
  378   HG23  VAL  49          HG23      VAL  49 130.556  -2.727  -4.816
  379    H    GLU  50           HN       GLU  50 127.815  -3.241  -0.825
  380    HA   GLU  50           HA       GLU  50 129.207  -3.246   1.743
  381    HB2  GLU  50           HB2      GLU  50 126.304  -3.245   0.958
  382    HB3  GLU  50           HB1      GLU  50 126.805  -3.589   2.607
  383    HG2  GLU  50           HG2      GLU  50 126.851  -1.422   3.014
  384    HG3  GLU  50           HG1      GLU  50 128.156  -1.247   1.842
  385    H    GLY  51           HN       GLY  51 129.913  -5.044   2.649
  386    HA2  GLY  51           HA2      GLY  51 128.667  -7.610   1.868
  387    HA3  GLY  51           HA1      GLY  51 130.384  -7.434   2.194
  388    H    LEU  52           HN       LEU  52 128.667  -9.308   3.488
  389    HA   LEU  52           HA       LEU  52 128.497  -8.212   6.217
  390    HB2  LEU  52           HB2      LEU  52 126.550  -9.470   4.841
  391    HB3  LEU  52           HB1      LEU  52 127.304 -10.852   5.614
  392    HG   LEU  52           HG       LEU  52 127.064  -9.323   7.772
  393   HD11  LEU  52          HD11      LEU  52 124.608  -8.349   7.381
  394   HD12  LEU  52          HD12      LEU  52 125.262  -8.118   5.759
  395   HD13  LEU  52          HD13      LEU  52 126.068  -7.388   7.147
  396   HD21  LEU  52          HD21      LEU  52 125.923 -11.593   6.920
  397   HD22  LEU  52          HD22      LEU  52 124.501 -10.551   6.956
  398   HD23  LEU  52          HD23      LEU  52 125.460 -10.785   8.417
  399    H    SER  53           HN       SER  53 130.031  -8.804   7.619
  400    HA   SER  53           HA       SER  53 131.191 -11.482   7.428
  401    HB2  SER  53           HB2      SER  53 132.549  -9.052   6.679
  402    HB3  SER  53           HB1      SER  53 133.364  -9.811   8.044
  403    HG   SER  53           HG       SER  53 133.871 -11.493   6.832
  404    H    GLU  54           HN       GLU  54 131.849 -12.359   9.355
  405    HA   GLU  54           HA       GLU  54 131.865 -12.725  11.593
  406    HB2  GLU  54           HB2      GLU  54 133.746 -11.038  11.303
  407    HB3  GLU  54           HB1      GLU  54 132.616  -9.824  11.887
  408    HG2  GLU  54           HG2      GLU  54 133.550 -10.331  13.869
  409    HG3  GLU  54           HG1      GLU  54 132.354 -11.623  13.845
  410    H    ASP  55           HN       ASP  55 129.760 -13.144  12.051
  411    HA   ASP  55           HA       ASP  55 127.762 -12.919  13.104
  412    HB2  ASP  55           HB2      ASP  55 129.337 -10.711  14.225
  413    HB3  ASP  55           HB1      ASP  55 127.601 -10.428  14.258
  414    H    GLY  56           HN       GLY  56 128.546  -9.634  11.949
  415    HA2  GLY  56           HA2      GLY  56 126.885  -9.634   9.717
  416    HA3  GLY  56           HA1      GLY  56 125.905  -9.087  11.068
  417    H    PHE  57           HN       PHE  57 129.351  -8.464  10.487
  418    HA   PHE  57           HA       PHE  57 128.874  -5.622  10.807
  419    HB2  PHE  57           HB2      PHE  57 131.329  -7.340  10.629
  420    HB3  PHE  57           HB1      PHE  57 131.455  -5.599  10.415
  421    HD1  PHE  57           HD2      PHE  57 130.423  -4.137  12.290
  422    HD2  PHE  57           HD1      PHE  57 131.421  -8.249  12.748
  423    HE1  PHE  57           HE2      PHE  57 130.504  -3.842  14.730
  424    HE2  PHE  57           HE1      PHE  57 131.502  -7.961  15.191
  425    HZ   PHE  57           HZ       PHE  57 131.045  -5.755  16.184
  426    H    THR  58           HN       THR  58 128.487  -4.300   9.159
  427    HA   THR  58           HA       THR  58 128.752  -5.240   6.455
  428    HB   THR  58           HB       THR  58 128.108  -2.391   7.039
  429    HG1  THR  58           HG1      THR  58 126.365  -4.546   7.648
  430   HG21  THR  58          HG21      THR  58 126.633  -2.537   5.264
  431   HG22  THR  58          HG22      THR  58 126.525  -4.294   5.366
  432   HG23  THR  58          HG23      THR  58 127.993  -3.534   4.750
  433    H    TYR  59           HN       TYR  59 130.498  -5.070   5.262
  434    HA   TYR  59           HA       TYR  59 132.439  -2.937   5.845
  435    HB2  TYR  59           HB2      TYR  59 134.209  -4.354   5.127
  436    HB3  TYR  59           HB1      TYR  59 133.216  -5.319   6.211
  437    HD1  TYR  59           HD1      TYR  59 134.149  -4.765   2.690
  438    HD2  TYR  59           HD2      TYR  59 132.074  -7.270   5.432
  439    HE1  TYR  59           HE1      TYR  59 133.968  -6.497   0.958
  440    HE2  TYR  59           HE2      TYR  59 131.885  -9.012   3.707
  441    HH   TYR  59           HH       TYR  59 133.552  -9.435   1.329
  442    H    TYR  60           HN       TYR  60 133.318  -1.766   4.099
  443    HA   TYR  60           HA       TYR  60 131.853  -2.123   1.565
  444    HB2  TYR  60           HB2      TYR  60 132.925   0.531   2.487
  445    HB3  TYR  60           HB1      TYR  60 131.691   0.206   1.277
  446    HD1  TYR  60           HD2      TYR  60 129.955  -1.688   2.826
  447    HD2  TYR  60           HD1      TYR  60 131.814   1.963   3.976
  448    HE1  TYR  60           HE2      TYR  60 128.207  -1.338   4.519
  449    HE2  TYR  60           HE1      TYR  60 130.071   2.322   5.673
  450    HH   TYR  60           HH       TYR  60 127.188   0.649   5.738
  451    H    TYR  61           HN       TYR  61 132.957  -1.990  -0.341
  452    HA   TYR  61           HA       TYR  61 135.869  -1.569  -0.202
  453    HB2  TYR  61           HB2      TYR  61 135.568  -3.944  -0.294
  454    HB3  TYR  61           HB1      TYR  61 134.362  -3.804  -1.565
  455    HD1  TYR  61           HD2      TYR  61 137.978  -3.368  -0.834
  456    HD2  TYR  61           HD1      TYR  61 134.994  -3.847  -3.830
  457    HE1  TYR  61           HE2      TYR  61 139.733  -3.702  -2.524
  458    HE2  TYR  61           HE1      TYR  61 136.740  -4.185  -5.525
  459    HH   TYR  61           HH       TYR  61 139.214  -3.510  -5.780
  460    H    ASN  62           HN       ASN  62 136.854  -0.867  -2.204
  461    HA   ASN  62           HA       ASN  62 134.938   0.498  -3.978
  462    HB2  ASN  62           HB2      ASN  62 136.674   1.782  -2.461
  463    HB3  ASN  62           HB1      ASN  62 137.788   1.376  -3.762
  464   HD21  ASN  62          HD21      ASN  62 136.897   3.987  -2.943
  465   HD22  ASN  62          HD22      ASN  62 136.109   4.694  -4.308
  466    H    THR  63           HN       THR  63 134.929   0.014  -6.072
  467    HA   THR  63           HA       THR  63 136.886  -1.908  -7.075
  468    HB   THR  63           HB       THR  63 135.337  -2.279  -8.897
  469    HG1  THR  63           HG1      THR  63 134.467  -0.372  -9.403
  470   HG21  THR  63          HG21      THR  63 133.337  -3.000  -7.752
  471   HG22  THR  63          HG22      THR  63 133.760  -2.022  -6.346
  472   HG23  THR  63          HG23      THR  63 134.763  -3.401  -6.797
  473    H    GLU  64           HN       GLU  64 137.414   1.071  -6.733
  474    HA   GLU  64           HA       GLU  64 137.880   1.874  -9.503
  475    HB2  GLU  64           HB2      GLU  64 136.874   3.456  -7.802
  476    HB3  GLU  64           HB1      GLU  64 138.437   3.469  -6.998
  477    HG2  GLU  64           HG2      GLU  64 139.487   4.460  -8.891
  478    HG3  GLU  64           HG1      GLU  64 138.038   4.249  -9.872
  479    H    THR  65           HN       THR  65 139.749   1.851  -6.456
  480    HA   THR  65           HA       THR  65 142.178   1.370  -8.051
  481    HB   THR  65           HB       THR  65 142.187   3.478  -6.766
  482    HG1  THR  65           HG1      THR  65 143.998   1.544  -5.751
  483   HG21  THR  65          HG21      THR  65 140.802   2.734  -4.858
  484   HG22  THR  65          HG22      THR  65 142.301   3.532  -4.384
  485   HG23  THR  65          HG23      THR  65 142.169   1.776  -4.290
  486    H    GLY  66           HN       GLY  66 140.342   0.307  -5.222
  487    HA2  GLY  66           HA2      GLY  66 140.284  -2.088  -4.782
  488    HA3  GLY  66           HA1      GLY  66 141.983  -2.147  -5.210
  489    H    GLU  67           HN       GLU  67 139.747  -0.740  -2.831
  490    HA   GLU  67           HA       GLU  67 141.613  -1.420  -0.708
  491    HB2  GLU  67           HB2      GLU  67 141.900   1.046  -1.697
  492    HB3  GLU  67           HB1      GLU  67 140.567   1.366  -0.598
  493    HG2  GLU  67           HG2      GLU  67 141.838   0.760   1.287
  494    HG3  GLU  67           HG1      GLU  67 143.085  -0.001   0.301
  495    H    SER  68           HN       SER  68 140.533  -2.221   0.976
  496    HA   SER  68           HA       SER  68 137.645  -2.061   1.024
  497    HB2  SER  68           HB2      SER  68 138.365  -3.424   3.313
  498    HB3  SER  68           HB1      SER  68 138.026  -4.166   1.750
  499    HG   SER  68           HG       SER  68 140.013  -4.893   2.338
  500    H    ARG  69           HN       ARG  69 136.401  -1.308   2.786
  501    HA   ARG  69           HA       ARG  69 137.787   0.508   4.640
  502    HB2  ARG  69           HB2      ARG  69 136.463   1.488   2.548
  503    HB3  ARG  69           HB1      ARG  69 135.089   1.257   3.619
  504    HG2  ARG  69           HG2      ARG  69 135.679   2.956   4.962
  505    HG3  ARG  69           HG1      ARG  69 137.404   2.609   4.822
  506    HD2  ARG  69           HD2      ARG  69 137.173   3.501   2.419
  507    HD3  ARG  69           HD1      ARG  69 135.640   4.176   2.966
  508    HE   ARG  69           HE       ARG  69 138.283   5.098   3.628
  509   HH11  ARG  69          HH11      ARG  69 134.925   5.055   4.620
  510   HH12  ARG  69          HH12      ARG  69 135.057   6.498   5.567
  511   HH21  ARG  69          HH21      ARG  69 138.454   6.998   4.880
  512   HH22  ARG  69          HH22      ARG  69 137.062   7.602   5.715
  513    H    TRP  70           HN       TRP  70 136.650   0.951   6.622
  514    HA   TRP  70           HA       TRP  70 134.554  -1.015   7.282
  515    HB2  TRP  70           HB2      TRP  70 136.962  -0.225   8.931
  516    HB3  TRP  70           HB1      TRP  70 135.583  -1.096   9.592
  517    HD1  TRP  70           HD1      TRP  70 138.657  -1.569   7.408
  518    HE1  TRP  70           HE1      TRP  70 138.991  -4.082   6.960
  519    HE3  TRP  70           HE3      TRP  70 134.263  -3.330   9.341
  520    HZ2  TRP  70           HZ2      TRP  70 137.578  -6.491   7.370
  521    HZ3  TRP  70           HZ3      TRP  70 133.831  -5.752   9.273
  522    HH2  TRP  70           HH2      TRP  70 135.455  -7.298   8.308
  523    H    GLU  71           HN       GLU  71 134.426   1.847   6.497
  524    HA   GLU  71           HA       GLU  71 132.733   2.743   8.683
  525    HB2  GLU  71           HB2      GLU  71 135.354   3.860   8.174
  526    HB3  GLU  71           HB1      GLU  71 134.109   5.077   7.939
  527    HG2  GLU  71           HG2      GLU  71 133.416   4.991  10.139
  528    HG3  GLU  71           HG1      GLU  71 134.085   3.380  10.393
  529    H    LYS  72           HN       LYS  72 131.406   4.641   8.053
  530    HA   LYS  72           HA       LYS  72 130.543   4.355   5.299
  531    HB2  LYS  72           HB2      LYS  72 128.982   4.445   7.300
  532    HB3  LYS  72           HB1      LYS  72 129.361   6.158   7.409
  533    HG2  LYS  72           HG2      LYS  72 127.982   6.680   5.743
  534    HG3  LYS  72           HG1      LYS  72 128.551   5.349   4.735
  535    HD2  LYS  72           HD2      LYS  72 126.805   4.065   5.282
  536    HD3  LYS  72           HD1      LYS  72 126.986   4.419   7.001
  537    HE2  LYS  72           HE2      LYS  72 124.803   5.132   5.962
  538    HE3  LYS  72           HE1      LYS  72 125.685   6.391   6.826
  539    HZ1  LYS  72           HZ1      LYS  72 124.696   6.902   4.516
  540    HZ2  LYS  72           HZ2      LYS  72 126.041   6.071   3.916
  541    HZ3  LYS  72           HZ3      LYS  72 126.257   7.449   4.872
  542    HA   PRO  73           HA       PRO  73 133.108   7.953   4.283
  543    HB2  PRO  73           HB2      PRO  73 132.822   7.732   1.595
  544    HB3  PRO  73           HB1      PRO  73 133.948   6.738   2.526
  545    HG2  PRO  73           HG2      PRO  73 131.210   6.060   1.521
  546    HG3  PRO  73           HG1      PRO  73 132.685   5.076   1.497
  547    HD2  PRO  73           HD2      PRO  73 130.739   4.738   3.347
  548    HD3  PRO  73           HD1      PRO  73 132.454   4.454   3.705
  549    H    ASP  74           HN       ASP  74 132.617  10.050   3.831
  550    HA   ASP  74           HA       ASP  74 130.355  10.873   2.319
  551    HB2  ASP  74           HB2      ASP  74 129.624  10.126   4.826
  552    HB3  ASP  74           HB1      ASP  74 129.988  11.829   5.093
  553    H    ASP  75           HN       ASP  75 131.278  12.526   1.290
  554    HA   ASP  75           HA       ASP  75 133.342  14.126   2.492
  555    HB2  ASP  75           HB2      ASP  75 133.253  13.476   0.053
  556    HB3  ASP  75           HB1      ASP  75 131.930  14.622  -0.132
  Start of MODEL   16
    1    H1   ASP   1           HT1      ASP   1 118.534 -12.193  -6.411
    2    H2   ASP   1           HT2      ASP   1 118.519 -12.902  -7.973
    3    H3   ASP   1           HT3      ASP   1 119.091 -13.800  -6.627
    4    HA   ASP   1           HA       ASP   1 116.896 -14.466  -7.314
    5    HB2  ASP   1           HB2      ASP   1 117.600 -13.371  -4.647
    6    HB3  ASP   1           HB1      ASP   1 115.901 -13.758  -4.901
    7    HA   PRO   2           HA       PRO   2 114.022 -11.362  -8.604
    8    HB2  PRO   2           HB2      PRO   2 111.695 -12.719  -8.425
    9    HB3  PRO   2           HB1      PRO   2 112.911 -13.087  -9.655
   10    HG2  PRO   2           HG2      PRO   2 112.373 -14.470  -7.052
   11    HG3  PRO   2           HG1      PRO   2 112.692 -15.176  -8.648
   12    HD2  PRO   2           HD2      PRO   2 114.596 -14.960  -6.723
   13    HD3  PRO   2           HD1      PRO   2 114.967 -14.892  -8.457
   14    H    SER   3           HN       SER   3 112.758  -9.759  -7.761
   15    HA   SER   3           HA       SER   3 111.840 -10.078  -4.979
   16    HB2  SER   3           HB2      SER   3 113.905  -8.565  -5.390
   17    HB3  SER   3           HB1      SER   3 112.747  -7.428  -6.081
   18    HG   SER   3           HG       SER   3 113.317  -7.459  -3.651
   19    H    LYS   4           HN       LYS   4 109.853  -9.263  -4.458
   20    HA   LYS   4           HA       LYS   4 108.332  -7.949  -6.607
   21    HB2  LYS   4           HB2      LYS   4 106.314  -9.213  -5.805
   22    HB3  LYS   4           HB1      LYS   4 107.535 -10.200  -6.595
   23    HG2  LYS   4           HG2      LYS   4 108.107 -10.172  -3.818
   24    HG3  LYS   4           HG1      LYS   4 106.388 -10.513  -4.021
   25    HD2  LYS   4           HD2      LYS   4 107.498 -12.607  -4.055
   26    HD3  LYS   4           HD1      LYS   4 107.052 -12.249  -5.724
   27    HE2  LYS   4           HE2      LYS   4 109.717 -11.320  -4.843
   28    HE3  LYS   4           HE1      LYS   4 109.505 -13.063  -4.987
   29    HZ1  LYS   4           HZ1      LYS   4 108.525 -12.466  -7.283
   30    HZ2  LYS   4           HZ2      LYS   4 110.202 -12.457  -7.083
   31    HZ3  LYS   4           HZ3      LYS   4 109.346 -11.001  -7.084
   32    H    GLY   5           HN       GLY   5 107.489  -6.062  -6.011
   33    HA2  GLY   5           HA2      GLY   5 106.024  -5.470  -3.777
   34    HA3  GLY   5           HA1      GLY   5 107.683  -5.159  -3.297
   35    H    ARG   6           HN       ARG   6 105.193  -4.301  -5.645
   36    HA   ARG   6           HA       ARG   6 106.649  -1.923  -6.468
   37    HB2  ARG   6           HB2      ARG   6 103.900  -2.902  -7.275
   38    HB3  ARG   6           HB1      ARG   6 104.753  -1.546  -7.996
   39    HG2  ARG   6           HG2      ARG   6 105.996  -4.263  -7.979
   40    HG3  ARG   6           HG1      ARG   6 104.774  -3.842  -9.180
   41    HD2  ARG   6           HD2      ARG   6 106.167  -1.835  -9.754
   42    HD3  ARG   6           HD1      ARG   6 107.422  -2.487  -8.701
   43    HE   ARG   6           HE       ARG   6 106.529  -4.341 -10.703
   44   HH11  ARG   6          HH11      ARG   6 108.734  -1.696 -10.051
   45   HH12  ARG   6          HH12      ARG   6 109.852  -2.164 -11.287
   46   HH21  ARG   6          HH21      ARG   6 108.006  -4.948 -12.328
   47   HH22  ARG   6          HH22      ARG   6 109.438  -4.008 -12.579
   48    H    TRP   7           HN       TRP   7 106.577  -1.240  -4.129
   49    HA   TRP   7           HA       TRP   7 104.052   0.099  -3.447
   50    HB2  TRP   7           HB2      TRP   7 106.446  -0.550  -1.713
   51    HB3  TRP   7           HB1      TRP   7 104.990   0.270  -1.161
   52    HD1  TRP   7           HD1      TRP   7 106.241  -3.179  -2.276
   53    HE1  TRP   7           HE1      TRP   7 104.566  -4.956  -1.468
   54    HE3  TRP   7           HE3      TRP   7 102.576  -0.088  -0.505
   55    HZ2  TRP   7           HZ2      TRP   7 102.025  -5.036  -0.234
   56    HZ3  TRP   7           HZ3      TRP   7 100.555  -1.094   0.473
   57    HH2  TRP   7           HH2      TRP   7 100.287  -3.517   0.604
   58    H    VAL   8           HN       VAL   8 103.956   2.289  -3.141
   59    HA   VAL   8           HA       VAL   8 106.402   3.807  -3.773
   60    HB   VAL   8           HB       VAL   8 104.679   3.978  -5.530
   61   HG11  VAL   8          HG11      VAL   8 102.690   3.684  -4.161
   62   HG12  VAL   8          HG12      VAL   8 102.588   5.179  -5.089
   63   HG13  VAL   8          HG13      VAL   8 102.985   5.234  -3.372
   64   HG21  VAL   8          HG21      VAL   8 105.150   6.525  -3.979
   65   HG22  VAL   8          HG22      VAL   8 104.622   6.438  -5.659
   66   HG23  VAL   8          HG23      VAL   8 106.213   5.830  -5.205
   67    H    GLU   9           HN       GLU   9 107.058   5.357  -2.385
   68    HA   GLU   9           HA       GLU   9 105.576   5.648   0.103
   69    HB2  GLU   9           HB2      GLU   9 107.988   5.186   0.200
   70    HB3  GLU   9           HB1      GLU   9 108.311   6.673  -0.679
   71    HG2  GLU   9           HG2      GLU   9 107.385   7.973   1.162
   72    HG3  GLU   9           HG1      GLU   9 107.033   6.487   2.041
   73    H    GLY  10           HN       GLY  10 104.480   7.406   0.707
   74    HA2  GLY  10           HA2      GLY  10 104.860   9.901  -0.811
   75    HA3  GLY  10           HA1      GLY  10 103.248   9.243  -0.592
   76    H    ILE  11           HN       ILE  11 104.408  11.818   0.279
   77    HA   ILE  11           HA       ILE  11 104.357  11.558   3.199
   78    HB   ILE  11           HB       ILE  11 104.897  14.055   1.592
   79   HG12  ILE  11          HG12      ILE  11 106.548  12.368   0.982
   80   HG13  ILE  11          HG11      ILE  11 107.296  13.603   1.988
   81   HG21  ILE  11          HG21      ILE  11 104.938  13.352   4.465
   82   HG22  ILE  11          HG22      ILE  11 104.550  14.879   3.672
   83   HG23  ILE  11          HG23      ILE  11 106.233  14.397   3.883
   84   HD11  ILE  11          HD11      ILE  11 107.203  12.129   3.907
   85   HD12  ILE  11          HD12      ILE  11 108.040  11.348   2.566
   86   HD13  ILE  11          HD13      ILE  11 106.378  10.902   2.947
   87    H    THR  12           HN       THR  12 102.604  12.071   4.362
   88    HA   THR  12           HA       THR  12 100.586  13.849   3.177
   89    HB   THR  12           HB       THR  12  98.855  12.333   4.332
   90    HG1  THR  12           HG1      THR  12 101.018  10.507   4.130
   91   HG21  THR  12          HG21      THR  12  98.701  12.306   2.031
   92   HG22  THR  12          HG22      THR  12  98.970  10.610   2.435
   93   HG23  THR  12          HG23      THR  12 100.301  11.596   1.828
   94    H    SER  13           HN       SER  13  99.330  15.042   4.668
   95    HA   SER  13           HA       SER  13  98.971  16.260   6.551
   96    HB2  SER  13           HB2      SER  13  98.759  13.684   7.332
   97    HB3  SER  13           HB1      SER  13 100.093  14.192   8.367
   98    HG   SER  13           HG       SER  13  97.507  15.344   8.192
   99    H    GLU  14           HN       GLU  14 100.595  15.994   9.054
  100    HA   GLU  14           HA       GLU  14 102.474  17.977   8.607
  101    HB2  GLU  14           HB2      GLU  14 101.512  16.754  10.816
  102    HB3  GLU  14           HB1      GLU  14 103.124  16.051  10.752
  103    HG2  GLU  14           HG2      GLU  14 103.771  18.611  10.376
  104    HG3  GLU  14           HG1      GLU  14 102.284  18.828  11.298
  105    H    GLY  15           HN       GLY  15 102.797  14.511   8.194
  106    HA2  GLY  15           HA2      GLY  15 104.846  14.437   6.455
  107    HA3  GLY  15           HA1      GLY  15 105.687  14.620   7.988
  108    H    TYR  16           HN       TYR  16 102.759  12.766   7.204
  109    HA   TYR  16           HA       TYR  16 103.977  10.410   8.423
  110    HB2  TYR  16           HB2      TYR  16 101.160  11.150   7.660
  111    HB3  TYR  16           HB1      TYR  16 101.593   9.483   8.026
  112    HD1  TYR  16           HD1      TYR  16 101.247  12.874   9.414
  113    HD2  TYR  16           HD2      TYR  16 102.069   8.789  10.279
  114    HE1  TYR  16           HE1      TYR  16 100.976  13.333  11.814
  115    HE2  TYR  16           HE2      TYR  16 101.798   9.237  12.680
  116    HH   TYR  16           HH       TYR  16 100.398  12.052  13.880
  117    H    HIS  17           HN       HIS  17 105.108   9.121   7.131
  118    HA   HIS  17           HA       HIS  17 104.797   9.150   4.290
  119    HB2  HIS  17           HB2      HIS  17 106.414   7.317   6.074
  120    HB3  HIS  17           HB1      HIS  17 106.526   7.370   4.318
  121    HD1  HIS  17           HD1      HIS  17 108.896   8.221   4.128
  122    HD2  HIS  17           HD2      HIS  17 106.521  10.610   6.559
  123    HE1  HIS  17           HE1      HIS  17 110.267  10.274   4.597
  124    HE2  HIS  17           HE2      HIS  17 108.774  11.745   5.998
  125    H    TYR  18           HN       TYR  18 103.272   8.126   3.210
  126    HA   TYR  18           HA       TYR  18 102.145   5.650   4.327
  127    HB2  TYR  18           HB2      TYR  18 100.072   6.146   3.302
  128    HB3  TYR  18           HB1      TYR  18 100.611   7.662   4.013
  129    HD1  TYR  18           HD1      TYR  18 101.599   9.426   2.511
  130    HD2  TYR  18           HD2      TYR  18  99.667   5.958   0.981
  131    HE1  TYR  18           HE1      TYR  18 101.336  10.539   0.337
  132    HE2  TYR  18           HE2      TYR  18  99.402   7.062  -1.199
  133    HH   TYR  18           HH       TYR  18 100.943   9.262  -2.350
  134    H    TYR  19           HN       TYR  19 101.696   3.901   2.896
  135    HA   TYR  19           HA       TYR  19 103.189   4.033   0.357
  136    HB2  TYR  19           HB2      TYR  19 102.987   1.558   2.073
  137    HB3  TYR  19           HB1      TYR  19 104.042   1.832   0.690
  138    HD1  TYR  19           HD2      TYR  19 105.721   3.856   0.972
  139    HD2  TYR  19           HD1      TYR  19 103.877   1.788   4.202
  140    HE1  TYR  19           HE2      TYR  19 107.501   4.630   2.479
  141    HE2  TYR  19           HE1      TYR  19 105.652   2.562   5.716
  142    HH   TYR  19           HH       TYR  19 107.697   5.039   5.044
  143    H    TYR  20           HN       TYR  20 102.380   2.829  -1.386
  144    HA   TYR  20           HA       TYR  20  99.734   1.606  -1.026
  145    HB2  TYR  20           HB2      TYR  20  99.213   3.818  -1.785
  146    HB3  TYR  20           HB1      TYR  20 100.456   3.749  -3.028
  147    HD1  TYR  20           HD1      TYR  20  97.078   2.677  -2.084
  148    HD2  TYR  20           HD2      TYR  20 100.070   2.559  -5.107
  149    HE1  TYR  20           HE1      TYR  20  95.411   1.866  -3.697
  150    HE2  TYR  20           HE2      TYR  20  98.414   1.748  -6.727
  151    HH   TYR  20           HH       TYR  20  96.252   0.581  -6.726
  152    H    ASP  21           HN       ASP  21  99.197  -0.008  -2.506
  153    HA   ASP  21           HA       ASP  21 101.448  -0.993  -4.133
  154    HB2  ASP  21           HB2      ASP  21 100.356  -2.339  -2.104
  155    HB3  ASP  21           HB1      ASP  21  99.219  -2.814  -3.358
  156    H    LEU  22           HN       LEU  22 101.185  -0.914  -6.256
  157    HA   LEU  22           HA       LEU  22  98.583  -0.319  -7.383
  158    HB2  LEU  22           HB2      LEU  22  99.918  -0.317  -9.563
  159    HB3  LEU  22           HB1      LEU  22 100.257   0.942  -8.393
  160    HG   LEU  22           HG       LEU  22 101.969  -1.439  -8.143
  161   HD11  LEU  22          HD11      LEU  22 102.385   0.377 -10.505
  162   HD12  LEU  22          HD12      LEU  22 101.617  -1.206 -10.628
  163   HD13  LEU  22          HD13      LEU  22 103.286  -1.076 -10.073
  164   HD21  LEU  22          HD21      LEU  22 102.125   0.828  -6.962
  165   HD22  LEU  22          HD22      LEU  22 102.777   1.429  -8.486
  166   HD23  LEU  22          HD23      LEU  22 103.609   0.138  -7.619
  167    H    ILE  23           HN       ILE  23 100.692  -3.068  -7.074
  168    HA   ILE  23           HA       ILE  23  99.736  -4.663  -9.175
  169    HB   ILE  23           HB       ILE  23 100.688  -5.642  -6.478
  170   HG12  ILE  23          HG12      ILE  23 102.534  -5.582  -8.796
  171   HG13  ILE  23          HG11      ILE  23 102.140  -4.021  -8.084
  172   HG21  ILE  23          HG21      ILE  23 101.533  -7.489  -8.231
  173   HG22  ILE  23          HG22      ILE  23 100.069  -6.950  -9.053
  174   HG23  ILE  23          HG23      ILE  23  99.976  -7.576  -7.406
  175   HD11  ILE  23          HD11      ILE  23 103.060  -6.311  -6.395
  176   HD12  ILE  23          HD12      ILE  23 103.086  -4.584  -6.037
  177   HD13  ILE  23          HD13      ILE  23 104.200  -5.256  -7.228
  178    H    SER  24           HN       SER  24  98.758  -4.609  -5.743
  179    HA   SER  24           HA       SER  24  96.394  -6.194  -6.392
  180    HB2  SER  24           HB2      SER  24  98.061  -6.325  -4.253
  181    HB3  SER  24           HB1      SER  24  96.796  -5.282  -3.607
  182    HG   SER  24           HG       SER  24  96.466  -7.865  -4.740
  183    H    GLY  25           HN       GLY  25  97.282  -2.973  -5.235
  184    HA2  GLY  25           HA2      GLY  25  96.008  -1.028  -5.597
  185    HA3  GLY  25           HA1      GLY  25  94.608  -2.034  -5.935
  186    H    ALA  26           HN       ALA  26  96.831  -1.480  -3.194
  187    HA   ALA  26           HA       ALA  26  94.521  -0.877  -1.504
  188    HB1  ALA  26           HB1      ALA  26  95.383  -2.370   0.286
  189    HB2  ALA  26           HB2      ALA  26  96.547  -3.019  -0.869
  190    HB3  ALA  26           HB3      ALA  26  94.818  -3.233  -1.144
  191    H    SER  27           HN       SER  27  94.883   0.807  -0.206
  192    HA   SER  27           HA       SER  27  97.528   1.992  -0.135
  193    HB2  SER  27           HB2      SER  27  96.389   3.872   1.029
  194    HB3  SER  27           HB1      SER  27  95.625   3.471  -0.510
  195    HG   SER  27           HG       SER  27  93.892   2.761   0.516
  196    H    GLN  28           HN       GLN  28  98.903   1.963   1.543
  197    HA   GLN  28           HA       GLN  28  97.940   0.969   4.140
  198    HB2  GLN  28           HB2      GLN  28  99.505  -0.511   2.408
  199    HB3  GLN  28           HB1      GLN  28 100.686   0.188   3.505
  200    HG2  GLN  28           HG2      GLN  28  99.884  -0.952   5.319
  201    HG3  GLN  28           HG1      GLN  28  98.260  -1.099   4.648
  202   HE21  GLN  28          HE21      GLN  28  98.405  -2.333   2.394
  203   HE22  GLN  28          HE22      GLN  28  99.224  -3.850   2.495
  204    H    TRP  29           HN       TRP  29  99.603   1.359   5.904
  205    HA   TRP  29           HA       TRP  29 101.059   3.876   5.428
  206    HB2  TRP  29           HB2      TRP  29  99.287   3.165   7.762
  207    HB3  TRP  29           HB1      TRP  29 100.414   4.517   7.784
  208    HD1  TRP  29           HD1      TRP  29  97.242   3.334   5.932
  209    HE1  TRP  29           HE1      TRP  29  96.032   5.403   4.999
  210    HE3  TRP  29           HE3      TRP  29 100.684   6.912   7.156
  211    HZ2  TRP  29           HZ2      TRP  29  96.474   8.183   4.807
  212    HZ3  TRP  29           HZ3      TRP  29 100.212   9.252   6.561
  213    HH2  TRP  29           HH2      TRP  29  98.150   9.872   5.411
  214    H    GLU  30           HN       GLU  30 101.563   0.755   6.006
  215    HA   GLU  30           HA       GLU  30 103.791   1.252   7.865
  216    HB2  GLU  30           HB2      GLU  30 101.761  -0.889   7.787
  217    HB3  GLU  30           HB1      GLU  30 103.412  -1.441   8.033
  218    HG2  GLU  30           HG2      GLU  30 102.044   0.657   9.701
  219    HG3  GLU  30           HG1      GLU  30 102.173  -1.048  10.130
  220    H    LYS  31           HN       LYS  31 105.796   0.504   7.308
  221    HA   LYS  31           HA       LYS  31 106.222  -0.098   4.534
  222    HB2  LYS  31           HB2      LYS  31 107.705   1.200   6.367
  223    HB3  LYS  31           HB1      LYS  31 108.454  -0.388   6.467
  224    HG2  LYS  31           HG2      LYS  31 108.777  -0.302   3.992
  225    HG3  LYS  31           HG1      LYS  31 108.213   1.370   4.037
  226    HD2  LYS  31           HD2      LYS  31 110.329   0.743   5.975
  227    HD3  LYS  31           HD1      LYS  31 110.815   0.588   4.286
  228    HE2  LYS  31           HE2      LYS  31 109.500   2.933   4.176
  229    HE3  LYS  31           HE1      LYS  31 110.075   2.990   5.841
  230    HZ1  LYS  31           HZ1      LYS  31 112.217   3.177   5.190
  231    HZ2  LYS  31           HZ2      LYS  31 111.517   3.835   3.799
  232    HZ3  LYS  31           HZ3      LYS  31 112.020   2.220   3.808
  233    HA   PRO  32           HA       PRO  32 106.075  -4.533   5.026
  234    HB2  PRO  32           HB2      PRO  32 107.007  -5.221   2.580
  235    HB3  PRO  32           HB1      PRO  32 105.380  -4.576   2.827
  236    HG2  PRO  32           HG2      PRO  32 107.855  -3.171   1.894
  237    HG3  PRO  32           HG1      PRO  32 106.199  -3.050   1.270
  238    HD2  PRO  32           HD2      PRO  32 107.280  -1.207   2.945
  239    HD3  PRO  32           HD1      PRO  32 105.548  -1.591   2.926
  240    H    GLU  33           HN       GLU  33 107.743  -6.398   4.143
  241    HA   GLU  33           HA       GLU  33 110.034  -6.138   5.778
  242    HB2  GLU  33           HB2      GLU  33 109.002  -8.184   3.878
  243    HB3  GLU  33           HB1      GLU  33 110.706  -8.262   4.302
  244    HG2  GLU  33           HG2      GLU  33 109.929  -9.568   5.957
  245    HG3  GLU  33           HG1      GLU  33 109.667  -8.016   6.752
  246    H    GLY  34           HN       GLY  34 111.198  -4.326   5.122
  247    HA2  GLY  34           HA2      GLY  34 113.312  -3.842   4.068
  248    HA3  GLY  34           HA1      GLY  34 112.755  -4.720   2.653
  249    H    PHE  35           HN       PHE  35 111.350  -3.723   1.191
  250    HA   PHE  35           HA       PHE  35 110.449  -2.028  -0.014
  251    HB2  PHE  35           HB2      PHE  35 109.030  -1.613   1.924
  252    HB3  PHE  35           HB1      PHE  35 110.289  -0.638   2.669
  253    HD1  PHE  35           HD2      PHE  35 108.338  -0.801  -0.510
  254    HD2  PHE  35           HD1      PHE  35 110.129   1.645   2.477
  255    HE1  PHE  35           HE2      PHE  35 107.434   1.204  -1.610
  256    HE2  PHE  35           HE1      PHE  35 109.226   3.652   1.381
  257    HZ   PHE  35           HZ       PHE  35 107.878   3.432  -0.669
  258    H    GLN  36           HN       GLN  36 112.146  -0.019   2.394
  259    HA   GLN  36           HA       GLN  36 114.203   0.632   0.425
  260    HB2  GLN  36           HB2      GLN  36 112.177   2.545   1.510
  261    HB3  GLN  36           HB1      GLN  36 113.816   3.126   1.248
  262    HG2  GLN  36           HG2      GLN  36 112.302   1.696  -0.902
  263    HG3  GLN  36           HG1      GLN  36 112.107   3.426  -0.629
  264   HE21  GLN  36          HE21      GLN  36 112.977   2.651  -3.035
  265   HE22  GLN  36          HE22      GLN  36 114.657   3.001  -3.233
  266    H    GLY  37           HN       GLY  37 114.186  -0.885   2.907
  267    HA2  GLY  37           HA2      GLY  37 116.046   0.778   4.494
  268    HA3  GLY  37           HA1      GLY  37 114.918  -0.347   5.237
  269    H    ASP  38           HN       ASP  38 118.059   0.060   4.227
  270    HA   ASP  38           HA       ASP  38 118.733  -2.478   3.214
  271    HB2  ASP  38           HB2      ASP  38 120.492  -0.565   4.770
  272    HB3  ASP  38           HB1      ASP  38 121.051  -1.910   3.786
  273    H    LEU  39           HN       LEU  39 118.826  -4.401   4.166
  274    HA   LEU  39           HA       LEU  39 118.788  -4.533   7.101
  275    HB2  LEU  39           HB2      LEU  39 116.967  -5.599   5.658
  276    HB3  LEU  39           HB1      LEU  39 118.176  -6.779   5.193
  277    HG   LEU  39           HG       LEU  39 118.388  -6.994   7.862
  278   HD11  LEU  39          HD11      LEU  39 116.771  -5.506   8.611
  279   HD12  LEU  39          HD12      LEU  39 115.929  -7.055   8.643
  280   HD13  LEU  39          HD13      LEU  39 115.644  -5.923   7.321
  281   HD21  LEU  39          HD21      LEU  39 117.984  -8.807   6.263
  282   HD22  LEU  39          HD22      LEU  39 116.283  -8.348   6.178
  283   HD23  LEU  39          HD23      LEU  39 116.958  -8.956   7.690
  284    H    LYS  40           HN       LYS  40 120.779  -4.734   7.920
  285    HA   LYS  40           HA       LYS  40 122.991  -5.825   6.536
  286    HB2  LYS  40           HB2      LYS  40 122.472  -5.023   9.375
  287    HB3  LYS  40           HB1      LYS  40 123.926  -5.932   8.994
  288    HG2  LYS  40           HG2      LYS  40 123.457  -3.632   7.248
  289    HG3  LYS  40           HG1      LYS  40 123.708  -3.225   8.946
  290    HD2  LYS  40           HD2      LYS  40 125.839  -4.193   8.984
  291    HD3  LYS  40           HD1      LYS  40 125.545  -5.112   7.505
  292    HE2  LYS  40           HE2      LYS  40 126.794  -3.453   6.595
  293    HE3  LYS  40           HE1      LYS  40 125.231  -2.642   6.536
  294    HZ1  LYS  40           HZ1      LYS  40 126.000  -1.904   8.944
  295    HZ2  LYS  40           HZ2      LYS  40 126.434  -1.038   7.557
  296    HZ3  LYS  40           HZ3      LYS  40 127.532  -2.118   8.254
  297    H    LYS  41           HN       LYS  41 123.837  -7.846   6.474
  298    HA   LYS  41           HA       LYS  41 123.871 -10.112   6.509
  299    HB2  LYS  41           HB2      LYS  41 124.335 -11.017   8.556
  300    HB3  LYS  41           HB1      LYS  41 124.499  -9.316   8.950
  301    HG2  LYS  41           HG2      LYS  41 121.883  -9.682   9.498
  302    HG3  LYS  41           HG1      LYS  41 122.513 -11.290   9.853
  303    HD2  LYS  41           HD2      LYS  41 122.601 -10.025  11.871
  304    HD3  LYS  41           HD1      LYS  41 124.256 -10.191  11.282
  305    HE2  LYS  41           HE2      LYS  41 122.781  -7.808  10.356
  306    HE3  LYS  41           HE1      LYS  41 123.167  -7.854  12.074
  307    HZ1  LYS  41           HZ1      LYS  41 125.506  -8.567  11.002
  308    HZ2  LYS  41           HZ2      LYS  41 125.093  -6.971  11.373
  309    HZ3  LYS  41           HZ3      LYS  41 124.925  -7.540   9.790
  310    H    THR  42           HN       THR  42 122.471 -12.104   7.723
  311    HA   THR  42           HA       THR  42 120.585 -13.354   7.485
  312    HB   THR  42           HB       THR  42 118.963 -10.837   7.745
  313    HG1  THR  42           HG1      THR  42 119.453 -10.682   9.836
  314   HG21  THR  42          HG21      THR  42 118.375 -13.185   9.401
  315   HG22  THR  42          HG22      THR  42 118.153 -13.412   7.666
  316   HG23  THR  42          HG23      THR  42 117.294 -12.120   8.503
  317    H    ALA  43           HN       ALA  43 121.786 -12.012   5.111
  318    HA   ALA  43           HA       ALA  43 119.797 -12.756   3.201
  319    HB1  ALA  43           HB1      ALA  43 118.905 -10.571   3.675
  320    HB2  ALA  43           HB2      ALA  43 119.661 -10.535   2.082
  321    HB3  ALA  43           HB3      ALA  43 120.493  -9.831   3.468
  322    H    VAL  44           HN       VAL  44 120.670 -11.825   0.886
  323    HA   VAL  44           HA       VAL  44 123.069 -13.177   0.398
  324    HB   VAL  44           HB       VAL  44 121.403 -12.755  -1.354
  325   HG11  VAL  44          HG11      VAL  44 122.290  -9.894  -1.065
  326   HG12  VAL  44          HG12      VAL  44 120.663 -10.554  -0.905
  327   HG13  VAL  44          HG13      VAL  44 121.442 -10.502  -2.486
  328   HG21  VAL  44          HG21      VAL  44 122.970 -12.152  -3.174
  329   HG22  VAL  44          HG22      VAL  44 123.631 -13.348  -2.059
  330   HG23  VAL  44          HG23      VAL  44 124.151 -11.666  -1.958
  331    H    LYS  45           HN       LYS  45 125.185 -12.555   0.144
  332    HA   LYS  45           HA       LYS  45 125.835  -9.844   1.085
  333    HB2  LYS  45           HB2      LYS  45 128.076 -10.813   1.660
  334    HB3  LYS  45           HB1      LYS  45 126.731 -11.467   2.584
  335    HG2  LYS  45           HG2      LYS  45 126.855 -13.528   1.571
  336    HG3  LYS  45           HG1      LYS  45 127.642 -12.890   0.127
  337    HD2  LYS  45           HD2      LYS  45 129.000 -12.865   2.804
  338    HD3  LYS  45           HD1      LYS  45 129.057 -14.280   1.751
  339    HE2  LYS  45           HE2      LYS  45 129.814 -12.548  -0.052
  340    HE3  LYS  45           HE1      LYS  45 130.235 -11.563   1.348
  341    HZ1  LYS  45           HZ1      LYS  45 132.170 -12.677   1.129
  342    HZ2  LYS  45           HZ2      LYS  45 131.468 -14.007   0.358
  343    HZ3  LYS  45           HZ3      LYS  45 131.366 -13.855   2.041
  344    H    THR  46           HN       THR  46 126.794  -8.459  -0.247
  345    HA   THR  46           HA       THR  46 127.639  -9.406  -2.880
  346    HB   THR  46           HB       THR  46 126.023  -7.550  -2.772
  347    HG1  THR  46           HG1      THR  46 126.971  -7.068  -4.564
  348   HG21  THR  46          HG21      THR  46 127.725  -6.507  -0.781
  349   HG22  THR  46          HG22      THR  46 126.217  -5.836  -1.401
  350   HG23  THR  46          HG23      THR  46 127.752  -5.390  -2.145
  351    H    VAL  47           HN       VAL  47 129.479  -7.737  -3.764
  352    HA   VAL  47           HA       VAL  47 131.828  -8.469  -2.274
  353    HB   VAL  47           HB       VAL  47 131.707  -6.709  -4.722
  354   HG11  VAL  47          HG11      VAL  47 133.825  -7.203  -3.123
  355   HG12  VAL  47          HG12      VAL  47 133.947  -6.884  -4.852
  356   HG13  VAL  47          HG13      VAL  47 133.962  -8.544  -4.259
  357   HG21  VAL  47          HG21      VAL  47 130.530  -8.883  -5.063
  358   HG22  VAL  47          HG22      VAL  47 132.039  -9.706  -4.669
  359   HG23  VAL  47          HG23      VAL  47 131.947  -8.662  -6.087
  360    H    TRP  48           HN       TRP  48 129.950  -5.556  -2.783
  361    HA   TRP  48           HA       TRP  48 131.949  -3.910  -1.434
  362    HB2  TRP  48           HB2      TRP  48 129.303  -3.210  -2.718
  363    HB3  TRP  48           HB1      TRP  48 130.382  -2.045  -1.965
  364    HD1  TRP  48           HD1      TRP  48 130.232  -4.424  -4.992
  365    HE1  TRP  48           HE1      TRP  48 131.855  -3.544  -6.785
  366    HE3  TRP  48           HE3      TRP  48 132.376  -0.615  -2.343
  367    HZ2  TRP  48           HZ2      TRP  48 133.790  -1.502  -7.040
  368    HZ3  TRP  48           HZ3      TRP  48 134.106   0.754  -3.432
  369    HH2  TRP  48           HH2      TRP  48 134.798   0.316  -5.733
  370    H    VAL  49           HN       VAL  49 131.627  -2.921   0.543
  371    HA   VAL  49           HA       VAL  49 129.377  -3.973   2.127
  372    HB   VAL  49           HB       VAL  49 131.583  -4.635   2.977
  373   HG11  VAL  49          HG11      VAL  49 132.092  -1.692   3.404
  374   HG12  VAL  49          HG12      VAL  49 132.858  -2.686   2.165
  375   HG13  VAL  49          HG13      VAL  49 133.150  -3.023   3.871
  376   HG21  VAL  49          HG21      VAL  49 131.243  -4.030   5.275
  377   HG22  VAL  49          HG22      VAL  49 129.667  -4.243   4.512
  378   HG23  VAL  49          HG23      VAL  49 130.292  -2.621   4.810
  379    H    GLU  50           HN       GLU  50 128.008  -2.595   3.202
  380    HA   GLU  50           HA       GLU  50 128.211   0.224   2.485
  381    HB2  GLU  50           HB2      GLU  50 126.063  -1.023   2.200
  382    HB3  GLU  50           HB1      GLU  50 125.985  -1.218   3.944
  383    HG2  GLU  50           HG2      GLU  50 125.763   1.141   4.264
  384    HG3  GLU  50           HG1      GLU  50 126.044   1.447   2.551
  385    H    GLY  51           HN       GLY  51 129.031   1.688   3.802
  386    HA2  GLY  51           HA2      GLY  51 129.092   1.115   6.700
  387    HA3  GLY  51           HA1      GLY  51 130.383   1.952   5.854
  388    H    LEU  52           HN       LEU  52 128.797   2.864   8.156
  389    HA   LEU  52           HA       LEU  52 127.473   5.189   6.923
  390    HB2  LEU  52           HB2      LEU  52 126.476   3.405   8.805
  391    HB3  LEU  52           HB1      LEU  52 126.909   4.817   9.751
  392    HG   LEU  52           HG       LEU  52 125.536   5.787   7.485
  393   HD11  LEU  52          HD11      LEU  52 124.465   3.210   8.489
  394   HD12  LEU  52          HD12      LEU  52 124.398   3.917   6.875
  395   HD13  LEU  52          HD13      LEU  52 123.316   4.501   8.139
  396   HD21  LEU  52          HD21      LEU  52 125.151   7.051   9.318
  397   HD22  LEU  52          HD22      LEU  52 125.178   5.670  10.413
  398   HD23  LEU  52          HD23      LEU  52 123.733   6.011   9.463
  399    H    SER  53           HN       SER  53 128.177   7.188   7.344
  400    HA   SER  53           HA       SER  53 130.396   7.485   9.258
  401    HB2  SER  53           HB2      SER  53 130.802   7.875   6.750
  402    HB3  SER  53           HB1      SER  53 129.839   9.338   6.943
  403    HG   SER  53           HG       SER  53 131.570  10.242   7.690
  404    H    GLU  54           HN       GLU  54 130.508   9.388  10.520
  405    HA   GLU  54           HA       GLU  54 128.269  10.170  11.859
  406    HB2  GLU  54           HB2      GLU  54 130.936  11.418  11.442
  407    HB3  GLU  54           HB1      GLU  54 129.684  12.418  12.166
  408    HG2  GLU  54           HG2      GLU  54 129.366  10.748  13.924
  409    HG3  GLU  54           HG1      GLU  54 130.625   9.750  13.198
  410    H    ASP  55           HN       ASP  55 126.989  12.090  11.901
  411    HA   ASP  55           HA       ASP  55 125.818  13.858  11.045
  412    HB2  ASP  55           HB2      ASP  55 128.173  14.059   9.597
  413    HB3  ASP  55           HB1      ASP  55 126.934  13.950   8.351
  414    H    GLY  56           HN       GLY  56 126.595  11.519   8.448
  415    HA2  GLY  56           HA2      GLY  56 124.480  10.006   8.175
  416    HA3  GLY  56           HA1      GLY  56 123.771  11.529   7.659
  417    H    PHE  57           HN       PHE  57 126.857   9.843   7.038
  418    HA   PHE  57           HA       PHE  57 126.310  10.107   4.153
  419    HB2  PHE  57           HB2      PHE  57 129.087  10.192   5.325
  420    HB3  PHE  57           HB1      PHE  57 128.574  10.650   3.708
  421    HD1  PHE  57           HD2      PHE  57 126.725  12.610   3.725
  422    HD2  PHE  57           HD1      PHE  57 129.608  11.881   6.773
  423    HE1  PHE  57           HE2      PHE  57 126.546  14.954   4.454
  424    HE2  PHE  57           HE1      PHE  57 129.433  14.223   7.503
  425    HZ   PHE  57           HZ       PHE  57 127.901  15.763   6.344
  426    H    THR  58           HN       THR  58 126.263   8.222   3.106
  427    HA   THR  58           HA       THR  58 127.250   5.835   4.466
  428    HB   THR  58           HB       THR  58 125.679   5.981   1.890
  429    HG1  THR  58           HG1      THR  58 123.855   5.685   3.171
  430   HG21  THR  58          HG21      THR  58 125.121   3.739   2.213
  431   HG22  THR  58          HG22      THR  58 125.706   3.741   3.877
  432   HG23  THR  58          HG23      THR  58 126.852   3.822   2.538
  433    H    TYR  59           HN       TYR  59 129.153   4.999   4.012
  434    HA   TYR  59           HA       TYR  59 130.396   5.599   1.412
  435    HB2  TYR  59           HB2      TYR  59 132.535   5.547   2.436
  436    HB3  TYR  59           HB1      TYR  59 131.516   6.502   3.505
  437    HD1  TYR  59           HD1      TYR  59 130.713   5.516   5.648
  438    HD2  TYR  59           HD2      TYR  59 133.521   3.507   3.162
  439    HE1  TYR  59           HE1      TYR  59 131.327   4.059   7.530
  440    HE2  TYR  59           HE2      TYR  59 134.144   2.044   5.035
  441    HH   TYR  59           HH       TYR  59 133.490   2.671   8.159
  442    H    TYR  60           HN       TYR  60 131.422   3.932   0.264
  443    HA   TYR  60           HA       TYR  60 130.788   1.210   1.223
  444    HB2  TYR  60           HB2      TYR  60 130.777   2.269  -1.611
  445    HB3  TYR  60           HB1      TYR  60 130.587   0.573  -1.180
  446    HD1  TYR  60           HD2      TYR  60 128.610  -0.028   0.372
  447    HD2  TYR  60           HD1      TYR  60 128.906   3.662  -1.731
  448    HE1  TYR  60           HE2      TYR  60 126.191   0.307   0.627
  449    HE2  TYR  60           HE1      TYR  60 126.485   4.003  -1.476
  450    HH   TYR  60           HH       TYR  60 124.454   1.628   0.217
  451    H    TYR  61           HN       TYR  61 132.329  -0.371   1.017
  452    HA   TYR  61           HA       TYR  61 134.946   0.450  -0.063
  453    HB2  TYR  61           HB2      TYR  61 134.971   0.471   2.407
  454    HB3  TYR  61           HB1      TYR  61 134.451  -1.209   2.420
  455    HD1  TYR  61           HD1      TYR  61 136.002  -2.990   1.657
  456    HD2  TYR  61           HD2      TYR  61 137.266   1.059   2.015
  457    HE1  TYR  61           HE1      TYR  61 138.348  -3.724   1.603
  458    HE2  TYR  61           HE2      TYR  61 139.616   0.335   1.960
  459    HH   TYR  61           HH       TYR  61 140.547  -2.951   2.255
  460    H    ASN  62           HN       ASN  62 136.181  -1.141  -1.073
  461    HA   ASN  62           HA       ASN  62 134.721  -3.616  -1.726
  462    HB2  ASN  62           HB2      ASN  62 135.227  -1.891  -3.573
  463    HB3  ASN  62           HB1      ASN  62 136.902  -2.410  -3.423
  464   HD21  ASN  62          HD21      ASN  62 136.752  -3.099  -5.619
  465   HD22  ASN  62          HD22      ASN  62 136.012  -4.611  -6.007
  466    H    THR  63           HN       THR  63 135.578  -5.445  -0.988
  467    HA   THR  63           HA       THR  63 138.149  -5.460   0.300
  468    HB   THR  63           HB       THR  63 137.611  -7.900   0.667
  469    HG1  THR  63           HG1      THR  63 136.266  -8.333  -1.039
  470   HG21  THR  63          HG21      THR  63 135.235  -7.129   1.800
  471   HG22  THR  63          HG22      THR  63 136.146  -5.621   1.709
  472   HG23  THR  63          HG23      THR  63 136.829  -7.015   2.546
  473    H    GLU  64           HN       GLU  64 136.955  -6.282  -2.835
  474    HA   GLU  64           HA       GLU  64 138.743  -8.222  -3.683
  475    HB2  GLU  64           HB2      GLU  64 136.775  -7.459  -4.957
  476    HB3  GLU  64           HB1      GLU  64 137.588  -5.939  -5.295
  477    HG2  GLU  64           HG2      GLU  64 139.338  -7.181  -6.504
  478    HG3  GLU  64           HG1      GLU  64 138.439  -8.672  -6.222
  479    H    THR  65           HN       THR  65 139.060  -4.703  -4.278
  480    HA   THR  65           HA       THR  65 141.946  -5.106  -4.643
  481    HB   THR  65           HB       THR  65 140.751  -4.008  -6.492
  482    HG1  THR  65           HG1      THR  65 142.942  -3.425  -6.009
  483   HG21  THR  65          HG21      THR  65 139.590  -2.052  -6.376
  484   HG22  THR  65          HG22      THR  65 140.392  -1.530  -4.894
  485   HG23  THR  65          HG23      THR  65 139.146  -2.777  -4.833
  486    H    GLY  66           HN       GLY  66 139.609  -3.205  -2.787
  487    HA2  GLY  66           HA2      GLY  66 140.028  -2.604  -0.517
  488    HA3  GLY  66           HA1      GLY  66 141.749  -2.607  -0.865
  489    H    GLU  67           HN       GLU  67 139.032  -1.005  -2.514
  490    HA   GLU  67           HA       GLU  67 140.325   1.582  -1.948
  491    HB2  GLU  67           HB2      GLU  67 140.490   0.699  -4.351
  492    HB3  GLU  67           HB1      GLU  67 138.761   0.998  -4.457
  493    HG2  GLU  67           HG2      GLU  67 139.062   3.334  -4.144
  494    HG3  GLU  67           HG1      GLU  67 140.759   3.118  -3.715
  495    H    SER  68           HN       SER  68 139.090   2.897  -0.785
  496    HA   SER  68           HA       SER  68 136.367   2.284  -0.218
  497    HB2  SER  68           HB2      SER  68 136.415   4.074   1.308
  498    HB3  SER  68           HB1      SER  68 138.074   3.477   1.305
  499    HG   SER  68           HG       SER  68 138.731   5.284   0.414
  500    H    ARG  69           HN       ARG  69 134.505   3.497  -0.709
  501    HA   ARG  69           HA       ARG  69 134.737   5.380  -2.952
  502    HB2  ARG  69           HB2      ARG  69 134.023   2.896  -3.484
  503    HB3  ARG  69           HB1      ARG  69 132.463   3.441  -2.886
  504    HG2  ARG  69           HG2      ARG  69 132.057   4.701  -4.703
  505    HG3  ARG  69           HG1      ARG  69 133.742   5.200  -4.866
  506    HD2  ARG  69           HD2      ARG  69 134.288   2.984  -5.780
  507    HD3  ARG  69           HD1      ARG  69 132.590   2.524  -5.655
  508    HE   ARG  69           HE       ARG  69 132.521   4.774  -7.161
  509   HH11  ARG  69          HH11      ARG  69 134.303   1.769  -7.420
  510   HH12  ARG  69          HH12      ARG  69 134.403   1.837  -9.147
  511   HH21  ARG  69          HH21      ARG  69 132.655   4.853  -9.436
  512   HH22  ARG  69          HH22      ARG  69 133.469   3.585 -10.290
  513    H    TRP  70           HN       TRP  70 132.871   6.790  -3.218
  514    HA   TRP  70           HA       TRP  70 131.253   7.064  -0.771
  515    HB2  TRP  70           HB2      TRP  70 132.551   9.282  -2.372
  516    HB3  TRP  70           HB1      TRP  70 131.402   9.537  -1.062
  517    HD1  TRP  70           HD1      TRP  70 135.037   8.689  -1.731
  518    HE1  TRP  70           HE1      TRP  70 136.331   8.690   0.493
  519    HE3  TRP  70           HE3      TRP  70 131.095   9.068   1.507
  520    HZ2  TRP  70           HZ2      TRP  70 135.760   8.834   3.252
  521    HZ3  TRP  70           HZ3      TRP  70 131.557   9.132   3.923
  522    HH2  TRP  70           HH2      TRP  70 133.842   9.016   4.775
  523    H    GLU  71           HN       GLU  71 130.653   5.794  -3.370
  524    HA   GLU  71           HA       GLU  71 128.128   7.130  -3.871
  525    HB2  GLU  71           HB2      GLU  71 130.309   6.879  -5.925
  526    HB3  GLU  71           HB1      GLU  71 128.622   6.847  -6.420
  527    HG2  GLU  71           HG2      GLU  71 128.352   9.040  -5.200
  528    HG3  GLU  71           HG1      GLU  71 130.109   9.075  -5.060
  529    H    LYS  72           HN       LYS  72 126.538   5.676  -4.306
  530    HA   LYS  72           HA       LYS  72 126.920   2.945  -3.899
  531    HB2  LYS  72           HB2      LYS  72 124.731   4.684  -4.396
  532    HB3  LYS  72           HB1      LYS  72 124.599   3.356  -5.539
  533    HG2  LYS  72           HG2      LYS  72 124.569   1.748  -3.764
  534    HG3  LYS  72           HG1      LYS  72 124.919   2.997  -2.568
  535    HD2  LYS  72           HD2      LYS  72 122.761   4.107  -3.295
  536    HD3  LYS  72           HD1      LYS  72 122.408   2.626  -4.185
  537    HE2  LYS  72           HE2      LYS  72 121.365   2.103  -2.235
  538    HE3  LYS  72           HE1      LYS  72 122.984   1.541  -1.823
  539    HZ1  LYS  72           HZ1      LYS  72 123.370   3.357  -0.480
  540    HZ2  LYS  72           HZ2      LYS  72 121.729   3.063  -0.187
  541    HZ3  LYS  72           HZ3      LYS  72 122.191   4.317  -1.226
  542    HA   PRO  73           HA       PRO  73 128.571   2.074  -8.023
  543    HB2  PRO  73           HB2      PRO  73 129.664  -0.306  -7.443
  544    HB3  PRO  73           HB1      PRO  73 130.403   1.208  -6.909
  545    HG2  PRO  73           HG2      PRO  73 128.703  -0.714  -5.365
  546    HG3  PRO  73           HG1      PRO  73 130.177   0.130  -4.860
  547    HD2  PRO  73           HD2      PRO  73 127.646   0.948  -4.201
  548    HD3  PRO  73           HD1      PRO  73 129.042   2.038  -4.312
  549    H    ASP  74           HN       ASP  74 126.819   1.709  -9.312
  550    HA   ASP  74           HA       ASP  74 125.313   0.537 -10.539
  551    HB2  ASP  74           HB2      ASP  74 127.106  -1.206 -10.560
  552    HB3  ASP  74           HB1      ASP  74 126.359  -1.933  -9.141
  553    H    ASP  75           HN       ASP  75 123.247  -0.586 -10.392
  554    HA   ASP  75           HA       ASP  75 122.196  -0.795  -7.662
  555    HB2  ASP  75           HB2      ASP  75 121.706   1.418  -9.087
  556    HB3  ASP  75           HB1      ASP  75 120.409   0.407  -9.715
  Start of MODEL   17
    1    H1   ASP   1           HT1      ASP   1 115.020  -0.497 -14.270
    2    H2   ASP   1           HT2      ASP   1 115.979   0.902 -14.531
    3    H3   ASP   1           HT3      ASP   1 114.302   1.058 -14.196
    4    HA   ASP   1           HA       ASP   1 116.258  -0.128 -12.344
    5    HB2  ASP   1           HB2      ASP   1 116.279   2.476 -13.104
    6    HB3  ASP   1           HB1      ASP   1 115.088   2.542 -11.809
    7    HA   PRO   2           HA       PRO   2 112.269  -1.719 -10.896
    8    HB2  PRO   2           HB2      PRO   2 114.076  -2.556  -8.675
    9    HB3  PRO   2           HB1      PRO   2 112.882  -3.501  -9.571
   10    HG2  PRO   2           HG2      PRO   2 115.470  -3.815 -10.060
   11    HG3  PRO   2           HG1      PRO   2 114.298  -3.809 -11.391
   12    HD2  PRO   2           HD2      PRO   2 116.179  -1.657 -10.511
   13    HD3  PRO   2           HD1      PRO   2 115.701  -2.137 -12.153
   14    H    SER   3           HN       SER   3 111.315   0.277 -10.416
   15    HA   SER   3           HA       SER   3 111.578   1.092  -7.610
   16    HB2  SER   3           HB2      SER   3 112.660   2.598  -9.611
   17    HB3  SER   3           HB1      SER   3 111.043   3.295  -9.502
   18    HG   SER   3           HG       SER   3 112.546   4.308  -8.085
   19    H    LYS   4           HN       LYS   4 109.630  -0.612  -8.463
   20    HA   LYS   4           HA       LYS   4 107.253   0.914  -7.902
   21    HB2  LYS   4           HB2      LYS   4 106.031  -0.086  -9.904
   22    HB3  LYS   4           HB1      LYS   4 107.126   1.249 -10.229
   23    HG2  LYS   4           HG2      LYS   4 108.638  -0.077 -11.334
   24    HG3  LYS   4           HG1      LYS   4 108.151  -1.538 -10.473
   25    HD2  LYS   4           HD2      LYS   4 107.038  -2.058 -12.346
   26    HD3  LYS   4           HD1      LYS   4 105.860  -0.857 -11.816
   27    HE2  LYS   4           HE2      LYS   4 106.294  -0.157 -13.968
   28    HE3  LYS   4           HE1      LYS   4 107.432   0.821 -13.044
   29    HZ1  LYS   4           HZ1      LYS   4 108.115  -1.736 -14.396
   30    HZ2  LYS   4           HZ2      LYS   4 109.192  -0.699 -13.605
   31    HZ3  LYS   4           HZ3      LYS   4 108.428  -0.198 -15.029
   32    H    GLY   5           HN       GLY   5 106.504  -0.245  -6.247
   33    HA2  GLY   5           HA2      GLY   5 106.014  -3.113  -6.675
   34    HA3  GLY   5           HA1      GLY   5 106.874  -2.602  -5.231
   35    H    ARG   6           HN       ARG   6 104.268  -3.987  -5.561
   36    HA   ARG   6           HA       ARG   6 102.235  -2.105  -4.815
   37    HB2  ARG   6           HB2      ARG   6 102.308  -5.125  -4.797
   38    HB3  ARG   6           HB1      ARG   6 100.900  -4.194  -4.310
   39    HG2  ARG   6           HG2      ARG   6 100.285  -4.406  -6.445
   40    HG3  ARG   6           HG1      ARG   6 101.438  -3.104  -6.740
   41    HD2  ARG   6           HD2      ARG   6 103.183  -4.786  -7.189
   42    HD3  ARG   6           HD1      ARG   6 101.993  -6.064  -6.950
   43    HE   ARG   6           HE       ARG   6 101.157  -5.639  -9.041
   44   HH11  ARG   6          HH11      ARG   6 103.244  -2.988  -8.097
   45   HH12  ARG   6          HH12      ARG   6 103.259  -2.274  -9.673
   46   HH21  ARG   6          HH21      ARG   6 101.174  -4.690 -11.116
   47   HH22  ARG   6          HH22      ARG   6 102.082  -3.242 -11.389
   48    H    TRP   7           HN       TRP   7 103.161  -1.047  -3.029
   49    HA   TRP   7           HA       TRP   7 103.112  -2.615  -0.534
   50    HB2  TRP   7           HB2      TRP   7 104.996  -0.406  -1.358
   51    HB3  TRP   7           HB1      TRP   7 104.819  -0.933   0.311
   52    HD1  TRP   7           HD1      TRP   7 106.242  -2.060  -3.054
   53    HE1  TRP   7           HE1      TRP   7 107.823  -4.051  -2.653
   54    HE3  TRP   7           HE3      TRP   7 105.265  -2.891   1.895
   55    HZ2  TRP   7           HZ2      TRP   7 108.560  -5.748  -0.521
   56    HZ3  TRP   7           HZ3      TRP   7 106.450  -4.717   3.041
   57    HH2  TRP   7           HH2      TRP   7 108.062  -6.116   1.856
   58    H    VAL   8           HN       VAL   8 102.292  -1.590   1.313
   59    HA   VAL   8           HA       VAL   8 100.773   0.889   0.801
   60    HB   VAL   8           HB       VAL   8  99.938  -1.021   2.949
   61   HG11  VAL   8          HG11      VAL   8  97.847  -0.009   2.756
   62   HG12  VAL   8          HG12      VAL   8  98.185   0.599   1.136
   63   HG13  VAL   8          HG13      VAL   8  98.981   1.323   2.533
   64   HG21  VAL   8          HG21      VAL   8 100.073  -2.537   1.132
   65   HG22  VAL   8          HG22      VAL   8  99.379  -1.367   0.012
   66   HG23  VAL   8          HG23      VAL   8  98.376  -2.080   1.274
   67    H    GLU   9           HN       GLU   9 101.097   2.573   2.174
   68    HA   GLU   9           HA       GLU   9 103.096   2.219   4.262
   69    HB2  GLU   9           HB2      GLU   9 103.248   4.096   2.611
   70    HB3  GLU   9           HB1      GLU   9 101.800   4.786   3.334
   71    HG2  GLU   9           HG2      GLU   9 102.942   5.036   5.456
   72    HG3  GLU   9           HG1      GLU   9 104.381   4.266   4.796
   73    H    GLY  10           HN       GLY  10 102.706   2.198   6.367
   74    HA2  GLY  10           HA2      GLY  10 100.111   3.187   7.348
   75    HA3  GLY  10           HA1      GLY  10 100.662   1.579   7.791
   76    H    ILE  11           HN       ILE  11 100.065   3.936   9.474
   77    HA   ILE  11           HA       ILE  11 102.718   4.474  10.636
   78    HB   ILE  11           HB       ILE  11 100.138   5.884  11.309
   79   HG12  ILE  11          HG12      ILE  11 100.624   6.191   8.922
   80   HG13  ILE  11          HG11      ILE  11 100.872   7.689   9.812
   81   HG21  ILE  11          HG21      ILE  11 101.349   7.279  12.616
   82   HG22  ILE  11          HG22      ILE  11 102.782   7.176  11.596
   83   HG23  ILE  11          HG23      ILE  11 102.408   5.873  12.723
   84   HD11  ILE  11          HD11      ILE  11 102.970   7.817   9.123
   85   HD12  ILE  11          HD12      ILE  11 102.641   6.448   8.062
   86   HD13  ILE  11          HD13      ILE  11 103.315   6.177   9.669
   87    H    THR  12           HN       THR  12 103.285   3.492  12.487
   88    HA   THR  12           HA       THR  12 101.171   2.540  14.292
   89    HB   THR  12           HB       THR  12 102.941   0.568  14.656
   90    HG1  THR  12           HG1      THR  12 103.838  -0.035  12.687
   91   HG21  THR  12          HG21      THR  12 100.550   0.820  13.029
   92   HG22  THR  12          HG22      THR  12 101.048  -0.462  14.134
   93   HG23  THR  12          HG23      THR  12 101.639  -0.450  12.473
   94    H    SER  13           HN       SER  13 101.806   2.282  16.507
   95    HA   SER  13           HA       SER  13 102.811   2.937  18.432
   96    HB2  SER  13           HB2      SER  13 104.747   1.683  17.027
   97    HB3  SER  13           HB1      SER  13 105.490   3.273  17.192
   98    HG   SER  13           HG       SER  13 106.072   2.413  19.052
   99    H    GLU  14           HN       GLU  14 105.256   4.702  18.493
  100    HA   GLU  14           HA       GLU  14 104.030   7.170  18.813
  101    HB2  GLU  14           HB2      GLU  14 106.618   6.133  19.125
  102    HB3  GLU  14           HB1      GLU  14 106.790   7.499  18.030
  103    HG2  GLU  14           HG2      GLU  14 105.430   8.823  19.725
  104    HG3  GLU  14           HG1      GLU  14 105.723   7.483  20.831
  105    H    GLY  15           HN       GLY  15 105.335   5.707  15.915
  106    HA2  GLY  15           HA2      GLY  15 103.998   7.023  14.018
  107    HA3  GLY  15           HA1      GLY  15 105.242   8.199  14.423
  108    H    TYR  16           HN       TYR  16 105.431   4.657  14.221
  109    HA   TYR  16           HA       TYR  16 107.749   4.916  12.470
  110    HB2  TYR  16           HB2      TYR  16 106.565   2.626  14.034
  111    HB3  TYR  16           HB1      TYR  16 107.834   2.375  12.840
  112    HD1  TYR  16           HD2      TYR  16 109.941   3.949  13.146
  113    HD2  TYR  16           HD1      TYR  16 107.184   2.970  16.235
  114    HE1  TYR  16           HE2      TYR  16 111.643   4.497  14.830
  115    HE2  TYR  16           HE1      TYR  16 108.880   3.518  17.930
  116    HH   TYR  16           HH       TYR  16 111.589   5.261  17.330
  117    H    HIS  17           HN       HIS  17 107.395   4.970  10.350
  118    HA   HIS  17           HA       HIS  17 104.938   4.086   9.193
  119    HB2  HIS  17           HB2      HIS  17 107.521   4.980   7.896
  120    HB3  HIS  17           HB1      HIS  17 106.021   4.680   7.029
  121    HD1  HIS  17           HD1      HIS  17 105.168   6.906   6.353
  122    HD2  HIS  17           HD2      HIS  17 106.593   6.918  10.257
  123    HE1  HIS  17           HE1      HIS  17 104.667   9.202   7.245
  124    HE2  HIS  17           HE2      HIS  17 105.429   9.144   9.647
  125    H    TYR  18           HN       TYR  18 104.439   2.059   8.769
  126    HA   TYR  18           HA       TYR  18 106.591   0.167   8.108
  127    HB2  TYR  18           HB2      TYR  18 105.358  -1.584   9.087
  128    HB3  TYR  18           HB1      TYR  18 105.189  -0.240  10.207
  129    HD1  TYR  18           HD2      TYR  18 103.035   0.965  10.382
  130    HD2  TYR  18           HD1      TYR  18 103.469  -2.482   7.923
  131    HE1  TYR  18           HE2      TYR  18 100.589   0.731  10.287
  132    HE2  TYR  18           HE1      TYR  18 101.025  -2.727   7.823
  133    HH   TYR  18           HH       TYR  18  98.904  -0.337   8.634
  134    H    TYR  19           HN       TYR  19 106.224  -1.362   6.418
  135    HA   TYR  19           HA       TYR  19 104.086  -0.560   4.558
  136    HB2  TYR  19           HB2      TYR  19 106.916  -1.378   3.869
  137    HB3  TYR  19           HB1      TYR  19 105.641  -1.075   2.695
  138    HD1  TYR  19           HD2      TYR  19 104.575   1.279   2.710
  139    HD2  TYR  19           HD1      TYR  19 108.293   0.380   4.581
  140    HE1  TYR  19           HE2      TYR  19 105.166   3.664   2.676
  141    HE2  TYR  19           HE1      TYR  19 108.888   2.770   4.547
  142    HH   TYR  19           HH       TYR  19 106.742   5.194   4.096
  143    H    TYR  20           HN       TYR  20 103.153  -2.182   3.275
  144    HA   TYR  20           HA       TYR  20 103.830  -4.952   4.002
  145    HB2  TYR  20           HB2      TYR  20 101.891  -4.377   5.328
  146    HB3  TYR  20           HB1      TYR  20 101.065  -3.727   3.918
  147    HD1  TYR  20           HD2      TYR  20 100.287  -5.288   2.124
  148    HD2  TYR  20           HD1      TYR  20 101.816  -6.700   5.837
  149    HE1  TYR  20           HE2      TYR  20  99.269  -7.482   1.698
  150    HE2  TYR  20           HE1      TYR  20 100.801  -8.900   5.423
  151    HH   TYR  20           HH       TYR  20 100.008 -10.250   3.584
  152    H    ASP  21           HN       ASP  21 103.702  -6.439   2.379
  153    HA   ASP  21           HA       ASP  21 103.095  -5.390  -0.307
  154    HB2  ASP  21           HB2      ASP  21 105.457  -6.204   0.250
  155    HB3  ASP  21           HB1      ASP  21 104.772  -7.823   0.302
  156    H    LEU  22           HN       LEU  22 101.399  -6.206  -1.357
  157    HA   LEU  22           HA       LEU  22  99.909  -8.390  -0.185
  158    HB2  LEU  22           HB2      LEU  22  98.383  -7.938  -2.213
  159    HB3  LEU  22           HB1      LEU  22  98.460  -6.757  -0.924
  160    HG   LEU  22           HG       LEU  22 100.337  -6.299  -3.158
  161   HD11  LEU  22          HD11      LEU  22  97.989  -7.155  -4.037
  162   HD12  LEU  22          HD12      LEU  22  98.846  -5.822  -4.811
  163   HD13  LEU  22          HD13      LEU  22  97.530  -5.489  -3.685
  164   HD21  LEU  22          HD21      LEU  22 100.206  -4.183  -2.432
  165   HD22  LEU  22          HD22      LEU  22  99.428  -4.878  -1.009
  166   HD23  LEU  22          HD23      LEU  22  98.447  -4.225  -2.323
  167    H    ILE  23           HN       ILE  23 102.017  -7.914  -2.938
  168    HA   ILE  23           HA       ILE  23 101.307 -10.064  -4.547
  169    HB   ILE  23           HB       ILE  23 104.148  -9.157  -4.055
  170   HG12  ILE  23          HG12      ILE  23 102.734  -8.097  -6.404
  171   HG13  ILE  23          HG11      ILE  23 102.089  -7.529  -4.869
  172   HG21  ILE  23          HG21      ILE  23 102.859 -10.491  -6.431
  173   HG22  ILE  23          HG22      ILE  23 103.983 -11.235  -5.295
  174   HG23  ILE  23          HG23      ILE  23 104.531  -9.933  -6.349
  175   HD11  ILE  23          HD11      ILE  23 103.908  -6.284  -4.412
  176   HD12  ILE  23          HD12      ILE  23 104.085  -6.321  -6.167
  177   HD13  ILE  23          HD13      ILE  23 105.020  -7.428  -5.163
  178    H    SER  24           HN       SER  24 103.639  -9.988  -1.861
  179    HA   SER  24           HA       SER  24 103.727 -12.920  -1.892
  180    HB2  SER  24           HB2      SER  24 105.495 -11.244  -0.145
  181    HB3  SER  24           HB1      SER  24 105.813 -12.819  -0.870
  182    HG   SER  24           HG       SER  24 106.543 -11.863  -2.600
  183    H    GLY  25           HN       GLY  25 103.033 -10.169   0.232
  184    HA2  GLY  25           HA2      GLY  25 101.378 -10.208   1.925
  185    HA3  GLY  25           HA1      GLY  25 101.486 -11.962   1.956
  186    H    ALA  26           HN       ALA  26 104.047  -9.506   2.225
  187    HA   ALA  26           HA       ALA  26 104.596 -10.487   4.948
  188    HB1  ALA  26           HB1      ALA  26 106.227 -11.470   3.438
  189    HB2  ALA  26           HB2      ALA  26 107.003 -10.293   4.498
  190    HB3  ALA  26           HB3      ALA  26 106.649  -9.872   2.823
  191    H    SER  27           HN       SER  27 104.992  -8.977   6.470
  192    HA   SER  27           HA       SER  27 104.636  -6.193   5.736
  193    HB2  SER  27           HB2      SER  27 103.384  -6.771   7.653
  194    HB3  SER  27           HB1      SER  27 104.728  -7.662   8.369
  195    HG   SER  27           HG       SER  27 104.256  -5.495   9.245
  196    H    GLN  28           HN       GLN  28 106.096  -4.532   6.178
  197    HA   GLN  28           HA       GLN  28 108.841  -5.319   6.880
  198    HB2  GLN  28           HB2      GLN  28 108.230  -4.935   4.327
  199    HB3  GLN  28           HB1      GLN  28 108.409  -3.244   4.774
  200    HG2  GLN  28           HG2      GLN  28 110.637  -3.387   4.923
  201    HG3  GLN  28           HG1      GLN  28 110.592  -4.985   5.666
  202   HE21  GLN  28          HE21      GLN  28 110.806  -6.778   4.404
  203   HE22  GLN  28          HE22      GLN  28 111.133  -6.724   2.709
  204    H    TRP  29           HN       TRP  29 110.222  -3.336   7.352
  205    HA   TRP  29           HA       TRP  29 108.609  -1.195   8.578
  206    HB2  TRP  29           HB2      TRP  29 110.948  -2.691   9.748
  207    HB3  TRP  29           HB1      TRP  29 110.418  -1.133  10.373
  208    HD1  TRP  29           HD1      TRP  29 109.554  -4.809  10.401
  209    HE1  TRP  29           HE1      TRP  29 107.588  -5.213  12.010
  210    HE3  TRP  29           HE3      TRP  29 108.232   0.048  11.305
  211    HZ2  TRP  29           HZ2      TRP  29 105.725  -3.679  13.471
  212    HZ3  TRP  29           HZ3      TRP  29 106.345   0.491  12.822
  213    HH2  TRP  29           HH2      TRP  29 105.119  -1.336  13.881
  214    H    GLU  30           HN       GLU  30 110.585  -1.704   6.125
  215    HA   GLU  30           HA       GLU  30 111.880   0.919   6.376
  216    HB2  GLU  30           HB2      GLU  30 113.112  -1.706   5.676
  217    HB3  GLU  30           HB1      GLU  30 113.677  -0.279   4.819
  218    HG2  GLU  30           HG2      GLU  30 114.095   0.778   7.056
  219    HG3  GLU  30           HG1      GLU  30 113.755  -0.794   7.779
  220    H    LYS  31           HN       LYS  31 111.757   2.199   4.581
  221    HA   LYS  31           HA       LYS  31 109.791   1.651   2.654
  222    HB2  LYS  31           HB2      LYS  31 110.663   3.918   3.415
  223    HB3  LYS  31           HB1      LYS  31 112.007   3.664   2.310
  224    HG2  LYS  31           HG2      LYS  31 110.432   3.497   0.442
  225    HG3  LYS  31           HG1      LYS  31 109.091   3.773   1.556
  226    HD2  LYS  31           HD2      LYS  31 111.368   5.695   1.069
  227    HD3  LYS  31           HD1      LYS  31 109.764   5.817   0.342
  228    HE2  LYS  31           HE2      LYS  31 109.110   6.985   2.117
  229    HE3  LYS  31           HE1      LYS  31 109.323   5.530   3.091
  230    HZ1  LYS  31           HZ1      LYS  31 111.271   6.270   3.942
  231    HZ2  LYS  31           HZ2      LYS  31 110.592   7.783   3.610
  232    HZ3  LYS  31           HZ3      LYS  31 111.718   7.110   2.542
  233    HA   PRO  32           HA       PRO  32 112.106  -0.847  -0.213
  234    HB2  PRO  32           HB2      PRO  32 110.314  -0.867  -2.236
  235    HB3  PRO  32           HB1      PRO  32 110.068  -1.788  -0.747
  236    HG2  PRO  32           HG2      PRO  32 108.925   0.860  -1.550
  237    HG3  PRO  32           HG1      PRO  32 108.120  -0.515  -0.772
  238    HD2  PRO  32           HD2      PRO  32 108.970   1.671   0.601
  239    HD3  PRO  32           HD1      PRO  32 108.903   0.048   1.316
  240    H    GLU  33           HN       GLU  33 112.478  -0.714  -2.753
  241    HA   GLU  33           HA       GLU  33 113.829   1.772  -3.204
  242    HB2  GLU  33           HB2      GLU  33 113.385  -0.454  -5.202
  243    HB3  GLU  33           HB1      GLU  33 114.625   0.791  -5.258
  244    HG2  GLU  33           HG2      GLU  33 116.006  -0.397  -3.989
  245    HG3  GLU  33           HG1      GLU  33 114.747  -0.740  -2.804
  246    H    GLY  34           HN       GLY  34 112.670   3.534  -3.675
  247    HA2  GLY  34           HA2      GLY  34 111.548   4.884  -5.246
  248    HA3  GLY  34           HA1      GLY  34 110.871   3.439  -5.978
  249    H    PHE  35           HN       PHE  35 109.079   2.389  -4.917
  250    HA   PHE  35           HA       PHE  35 107.106   2.314  -3.782
  251    HB2  PHE  35           HB2      PHE  35 108.523   2.826  -1.787
  252    HB3  PHE  35           HB1      PHE  35 108.242   4.538  -2.069
  253    HD1  PHE  35           HD2      PHE  35 106.002   1.541  -2.042
  254    HD2  PHE  35           HD1      PHE  35 106.869   5.402  -0.467
  255    HE1  PHE  35           HE2      PHE  35 103.947   1.448  -0.687
  256    HE2  PHE  35           HE1      PHE  35 104.819   5.312   0.887
  257    HZ   PHE  35           HZ       PHE  35 103.355   3.336   0.775
  258    H    GLN  36           HN       GLN  36 105.072   3.575  -3.472
  259    HA   GLN  36           HA       GLN  36 104.625   5.323  -5.653
  260    HB2  GLN  36           HB2      GLN  36 102.888   4.761  -3.241
  261    HB3  GLN  36           HB1      GLN  36 102.362   5.612  -4.687
  262    HG2  GLN  36           HG2      GLN  36 103.368   2.777  -4.661
  263    HG3  GLN  36           HG1      GLN  36 101.667   3.235  -4.594
  264   HE21  GLN  36          HE21      GLN  36 104.157   2.358  -6.600
  265   HE22  GLN  36          HE22      GLN  36 103.512   2.920  -8.101
  266    H    GLY  37           HN       GLY  37 106.054   7.062  -5.435
  267    HA2  GLY  37           HA2      GLY  37 105.050   9.365  -4.192
  268    HA3  GLY  37           HA1      GLY  37 106.297   8.692  -3.154
  269    H    ASP  38           HN       ASP  38 105.793  10.945  -5.447
  270    HA   ASP  38           HA       ASP  38 108.139  10.568  -7.064
  271    HB2  ASP  38           HB2      ASP  38 105.862  11.897  -7.504
  272    HB3  ASP  38           HB1      ASP  38 106.831  13.236  -6.899
  273    H    LEU  39           HN       LEU  39 109.960  10.536  -5.817
  274    HA   LEU  39           HA       LEU  39 110.486  12.403  -3.726
  275    HB2  LEU  39           HB2      LEU  39 112.007  10.256  -5.116
  276    HB3  LEU  39           HB1      LEU  39 112.920  11.446  -4.210
  277    HG   LEU  39           HG       LEU  39 110.639   9.999  -2.907
  278   HD11  LEU  39          HD11      LEU  39 112.210   8.357  -4.006
  279   HD12  LEU  39          HD12      LEU  39 112.025   8.198  -2.260
  280   HD13  LEU  39          HD13      LEU  39 113.464   8.969  -2.926
  281   HD21  LEU  39          HD21      LEU  39 111.492  10.793  -0.965
  282   HD22  LEU  39          HD22      LEU  39 112.146  12.034  -2.033
  283   HD23  LEU  39          HD23      LEU  39 113.162  10.686  -1.524
  284    H    LYS  40           HN       LYS  40 112.701  13.610  -3.788
  285    HA   LYS  40           HA       LYS  40 112.731  15.262  -6.224
  286    HB2  LYS  40           HB2      LYS  40 113.690  15.943  -3.437
  287    HB3  LYS  40           HB1      LYS  40 113.711  17.027  -4.820
  288    HG2  LYS  40           HG2      LYS  40 111.233  15.856  -3.567
  289    HG3  LYS  40           HG1      LYS  40 111.853  17.485  -3.293
  290    HD2  LYS  40           HD2      LYS  40 111.493  18.078  -5.585
  291    HD3  LYS  40           HD1      LYS  40 111.088  16.413  -6.005
  292    HE2  LYS  40           HE2      LYS  40 108.971  17.150  -5.772
  293    HE3  LYS  40           HE1      LYS  40 109.280  16.859  -4.062
  294    HZ1  LYS  40           HZ1      LYS  40 109.690  19.134  -3.693
  295    HZ2  LYS  40           HZ2      LYS  40 108.295  19.081  -4.647
  296    HZ3  LYS  40           HZ3      LYS  40 109.782  19.483  -5.347
  297    H    LYS  41           HN       LYS  41 114.958  16.374  -6.551
  298    HA   LYS  41           HA       LYS  41 117.161  16.253  -7.079
  299    HB2  LYS  41           HB2      LYS  41 117.210  15.436  -4.566
  300    HB3  LYS  41           HB1      LYS  41 117.630  13.897  -5.303
  301    HG2  LYS  41           HG2      LYS  41 119.724  14.545  -5.664
  302    HG3  LYS  41           HG1      LYS  41 119.200  16.054  -6.413
  303    HD2  LYS  41           HD2      LYS  41 120.233  16.959  -4.610
  304    HD3  LYS  41           HD1      LYS  41 118.677  16.631  -3.845
  305    HE2  LYS  41           HE2      LYS  41 119.545  15.068  -2.494
  306    HE3  LYS  41           HE1      LYS  41 120.490  14.344  -3.794
  307    HZ1  LYS  41           HZ1      LYS  41 121.240  16.442  -1.895
  308    HZ2  LYS  41           HZ2      LYS  41 121.910  16.513  -3.446
  309    HZ3  LYS  41           HZ3      LYS  41 122.151  15.143  -2.484
  310    H    THR  42           HN       THR  42 116.851  15.615  -9.184
  311    HA   THR  42           HA       THR  42 116.239  13.011 -10.038
  312    HB   THR  42           HB       THR  42 117.740  15.141 -11.571
  313    HG1  THR  42           HG1      THR  42 115.915  16.156 -11.189
  314   HG21  THR  42          HG21      THR  42 116.042  12.852 -12.539
  315   HG22  THR  42          HG22      THR  42 117.784  13.035 -12.747
  316   HG23  THR  42          HG23      THR  42 116.678  14.152 -13.548
  317    H    ALA  43           HN       ALA  43 119.310  14.569  -9.326
  318    HA   ALA  43           HA       ALA  43 120.837  12.290 -10.304
  319    HB1  ALA  43           HB1      ALA  43 122.796  13.665  -9.465
  320    HB2  ALA  43           HB2      ALA  43 121.626  14.941  -9.127
  321    HB3  ALA  43           HB3      ALA  43 121.853  14.368 -10.779
  322    H    VAL  44           HN       VAL  44 121.487  10.638  -9.063
  323    HA   VAL  44           HA       VAL  44 121.044  10.814  -6.169
  324    HB   VAL  44           HB       VAL  44 119.909   8.977  -7.328
  325   HG11  VAL  44          HG11      VAL  44 122.696   8.187  -8.133
  326   HG12  VAL  44          HG12      VAL  44 121.297   8.484  -9.165
  327   HG13  VAL  44          HG13      VAL  44 121.346   7.053  -8.135
  328   HG21  VAL  44          HG21      VAL  44 122.085   7.779  -5.640
  329   HG22  VAL  44          HG22      VAL  44 120.392   7.299  -5.764
  330   HG23  VAL  44          HG23      VAL  44 120.824   8.806  -4.956
  331    H    LYS  45           HN       LYS  45 122.637  10.320  -4.665
  332    HA   LYS  45           HA       LYS  45 125.359  10.707  -5.574
  333    HB2  LYS  45           HB2      LYS  45 123.919  10.841  -3.002
  334    HB3  LYS  45           HB1      LYS  45 125.582  10.282  -2.895
  335    HG2  LYS  45           HG2      LYS  45 125.770  12.481  -4.541
  336    HG3  LYS  45           HG1      LYS  45 124.534  12.949  -3.372
  337    HD2  LYS  45           HD2      LYS  45 126.037  12.424  -1.536
  338    HD3  LYS  45           HD1      LYS  45 127.265  11.868  -2.675
  339    HE2  LYS  45           HE2      LYS  45 127.168  14.201  -3.680
  340    HE3  LYS  45           HE1      LYS  45 126.239  14.665  -2.256
  341    HZ1  LYS  45           HZ1      LYS  45 128.996  13.556  -2.261
  342    HZ2  LYS  45           HZ2      LYS  45 128.106  13.937  -0.874
  343    HZ3  LYS  45           HZ3      LYS  45 128.565  15.162  -1.946
  344    H    THR  46           HN       THR  46 127.121   9.305  -5.116
  345    HA   THR  46           HA       THR  46 126.697   6.695  -4.028
  346    HB   THR  46           HB       THR  46 125.722   6.204  -6.153
  347    HG1  THR  46           HG1      THR  46 127.015   4.555  -6.764
  348   HG21  THR  46          HG21      THR  46 127.733   6.486  -8.055
  349   HG22  THR  46          HG22      THR  46 127.675   8.028  -7.200
  350   HG23  THR  46          HG23      THR  46 126.218   7.381  -7.954
  351    H    VAL  47           HN       VAL  47 128.428   6.998  -2.709
  352    HA   VAL  47           HA       VAL  47 131.060   7.297  -4.009
  353    HB   VAL  47           HB       VAL  47 130.534   8.077  -1.147
  354   HG11  VAL  47          HG11      VAL  47 132.738   8.492  -3.125
  355   HG12  VAL  47          HG12      VAL  47 132.819   7.933  -1.454
  356   HG13  VAL  47          HG13      VAL  47 132.512   9.634  -1.801
  357   HG21  VAL  47          HG21      VAL  47 130.213  10.369  -1.813
  358   HG22  VAL  47          HG22      VAL  47 129.019   9.367  -2.638
  359   HG23  VAL  47          HG23      VAL  47 130.436   9.949  -3.512
  360    H    TRP  48           HN       TRP  48 129.608   4.821  -3.514
  361    HA   TRP  48           HA       TRP  48 131.579   3.501  -1.776
  362    HB2  TRP  48           HB2      TRP  48 128.590   3.062  -1.767
  363    HB3  TRP  48           HB1      TRP  48 129.730   1.930  -1.054
  364    HD1  TRP  48           HD1      TRP  48 128.386   5.507  -0.562
  365    HE1  TRP  48           HE1      TRP  48 128.785   6.189   1.888
  366    HE3  TRP  48           HE3      TRP  48 131.116   1.464   0.976
  367    HZ2  TRP  48           HZ2      TRP  48 130.083   5.149   4.170
  368    HZ3  TRP  48           HZ3      TRP  48 131.901   1.388   3.306
  369    HH2  TRP  48           HH2      TRP  48 131.394   3.195   4.869
  370    H    VAL  49           HN       VAL  49 132.238   1.477  -2.436
  371    HA   VAL  49           HA       VAL  49 131.363   0.684  -5.133
  372    HB   VAL  49           HB       VAL  49 133.758   1.225  -4.953
  373   HG11  VAL  49          HG11      VAL  49 134.460  -1.188  -3.446
  374   HG12  VAL  49          HG12      VAL  49 133.673   0.069  -2.493
  375   HG13  VAL  49          HG13      VAL  49 135.149   0.433  -3.384
  376   HG21  VAL  49          HG21      VAL  49 134.368  -0.404  -6.397
  377   HG22  VAL  49          HG22      VAL  49 132.658  -0.822  -6.297
  378   HG23  VAL  49          HG23      VAL  49 133.839  -1.703  -5.329
  379    H    GLU  50           HN       GLU  50 130.418  -1.263  -5.458
  380    HA   GLU  50           HA       GLU  50 129.880  -2.893  -3.106
  381    HB2  GLU  50           HB2      GLU  50 128.009  -2.288  -4.570
  382    HB3  GLU  50           HB1      GLU  50 128.800  -3.078  -5.927
  383    HG2  GLU  50           HG2      GLU  50 128.677  -5.220  -4.633
  384    HG3  GLU  50           HG1      GLU  50 127.679  -4.371  -3.455
  385    H    GLY  51           HN       GLY  51 131.010  -4.635  -2.620
  386    HA2  GLY  51           HA2      GLY  51 132.488  -6.009  -4.778
  387    HA3  GLY  51           HA1      GLY  51 133.113  -5.830  -3.147
  388    H    LEU  52           HN       LEU  52 132.706  -8.293  -4.648
  389    HA   LEU  52           HA       LEU  52 130.595  -9.546  -3.026
  390    HB2  LEU  52           HB2      LEU  52 130.993  -9.662  -5.755
  391    HB3  LEU  52           HB1      LEU  52 131.685 -11.172  -5.190
  392    HG   LEU  52           HG       LEU  52 129.224 -10.928  -3.855
  393   HD11  LEU  52          HD11      LEU  52 129.027 -10.148  -6.755
  394   HD12  LEU  52          HD12      LEU  52 128.443  -9.255  -5.351
  395   HD13  LEU  52          HD13      LEU  52 127.673 -10.774  -5.811
  396   HD21  LEU  52          HD21      LEU  52 130.484 -12.672  -5.866
  397   HD22  LEU  52          HD22      LEU  52 128.723 -12.730  -5.801
  398   HD23  LEU  52          HD23      LEU  52 129.670 -13.078  -4.355
  399    H    SER  53           HN       SER  53 131.112 -10.985  -1.524
  400    HA   SER  53           HA       SER  53 133.899 -11.922  -1.387
  401    HB2  SER  53           HB2      SER  53 133.195 -10.521   0.509
  402    HB3  SER  53           HB1      SER  53 131.856 -11.621   0.829
  403    HG   SER  53           HG       SER  53 134.548 -11.890   1.396
  404    H    GLU  54           HN       GLU  54 134.312 -14.086  -0.764
  405    HA   GLU  54           HA       GLU  54 132.955 -16.067  -2.056
  406    HB2  GLU  54           HB2      GLU  54 135.176 -15.980  -0.457
  407    HB3  GLU  54           HB1      GLU  54 134.086 -16.971   0.504
  408    HG2  GLU  54           HG2      GLU  54 133.819 -18.522  -1.328
  409    HG3  GLU  54           HG1      GLU  54 134.806 -17.501  -2.371
  410    H    ASP  55           HN       ASP  55 131.531 -17.743  -1.443
  411    HA   ASP  55           HA       ASP  55 129.827 -18.772  -0.308
  412    HB2  ASP  55           HB2      ASP  55 131.060 -17.481   1.790
  413    HB3  ASP  55           HB1      ASP  55 129.434 -16.807   1.831
  414    H    GLY  56           HN       GLY  56 129.611 -15.210  -0.065
  415    HA2  GLY  56           HA2      GLY  56 127.945 -14.423  -1.899
  416    HA3  GLY  56           HA1      GLY  56 126.813 -15.373  -0.948
  417    H    PHE  57           HN       PHE  57 129.385 -13.006  -0.211
  418    HA   PHE  57           HA       PHE  57 127.410 -11.505   1.381
  419    HB2  PHE  57           HB2      PHE  57 130.351 -11.647   2.042
  420    HB3  PHE  57           HB1      PHE  57 129.046 -11.029   3.045
  421    HD1  PHE  57           HD2      PHE  57 127.140 -12.871   3.518
  422    HD2  PHE  57           HD1      PHE  57 131.217 -13.687   2.598
  423    HE1  PHE  57           HE2      PHE  57 126.945 -15.068   4.611
  424    HE2  PHE  57           HE1      PHE  57 131.026 -15.883   3.689
  425    HZ   PHE  57           HZ       PHE  57 128.890 -16.576   4.698
  426    H    THR  58           HN       THR  58 127.192  -9.408   0.869
  427    HA   THR  58           HA       THR  58 129.040  -8.283  -1.104
  428    HB   THR  58           HB       THR  58 126.409  -7.114  -0.200
  429    HG1  THR  58           HG1      THR  58 126.896  -8.894  -2.357
  430   HG21  THR  58          HG21      THR  58 126.398  -6.024  -2.364
  431   HG22  THR  58          HG22      THR  58 127.954  -6.756  -2.756
  432   HG23  THR  58          HG23      THR  58 127.836  -5.582  -1.445
  433    H    TYR  59           HN       TYR  59 130.568  -6.923  -0.489
  434    HA   TYR  59           HA       TYR  59 130.221  -5.422   2.021
  435    HB2  TYR  59           HB2      TYR  59 132.573  -5.499   2.374
  436    HB3  TYR  59           HB1      TYR  59 132.085  -7.131   1.938
  437    HD1  TYR  59           HD2      TYR  59 132.633  -8.024  -0.313
  438    HD2  TYR  59           HD1      TYR  59 134.071  -4.247   1.013
  439    HE1  TYR  59           HE2      TYR  59 134.322  -8.047  -2.099
  440    HE2  TYR  59           HE1      TYR  59 135.764  -4.257  -0.767
  441    HH   TYR  59           HH       TYR  59 136.853  -6.673  -2.259
  442    H    TYR  60           HN       TYR  60 130.765  -3.227   2.084
  443    HA   TYR  60           HA       TYR  60 131.150  -1.966  -0.556
  444    HB2  TYR  60           HB2      TYR  60 129.609  -0.807   1.774
  445    HB3  TYR  60           HB1      TYR  60 129.758  -0.116   0.162
  446    HD1  TYR  60           HD2      TYR  60 128.904  -1.699  -1.791
  447    HD2  TYR  60           HD1      TYR  60 127.705  -2.017   2.281
  448    HE1  TYR  60           HE2      TYR  60 126.863  -2.879  -2.489
  449    HE2  TYR  60           HE1      TYR  60 125.662  -3.199   1.592
  450    HH   TYR  60           HH       TYR  60 125.223  -4.528  -1.417
  451    H    TYR  61           HN       TYR  61 132.585  -0.278  -0.719
  452    HA   TYR  61           HA       TYR  61 134.137   0.372   1.703
  453    HB2  TYR  61           HB2      TYR  61 135.371  -1.149   0.199
  454    HB3  TYR  61           HB1      TYR  61 135.195   0.009  -1.111
  455    HD1  TYR  61           HD1      TYR  61 136.854  -0.653   2.116
  456    HD2  TYR  61           HD2      TYR  61 136.632   1.924  -1.265
  457    HE1  TYR  61           HE1      TYR  61 138.977   0.396   2.782
  458    HE2  TYR  61           HE2      TYR  61 138.753   2.982  -0.608
  459    HH   TYR  61           HH       TYR  61 140.904   1.714   1.375
  460    H    ASN  62           HN       ASN  62 135.051   2.472   1.803
  461    HA   ASN  62           HA       ASN  62 133.696   4.454   0.085
  462    HB2  ASN  62           HB2      ASN  62 133.518   4.245   2.795
  463    HB3  ASN  62           HB1      ASN  62 134.890   5.332   2.656
  464   HD21  ASN  62          HD21      ASN  62 133.745   6.473   0.111
  465   HD22  ASN  62          HD22      ASN  62 132.499   7.536   0.651
  466    H    THR  63           HN       THR  63 134.979   5.540  -1.271
  467    HA   THR  63           HA       THR  63 137.838   5.272  -1.114
  468    HB   THR  63           HB       THR  63 137.865   6.606  -3.186
  469    HG1  THR  63           HG1      THR  63 136.083   7.539  -3.965
  470   HG21  THR  63          HG21      THR  63 137.533   4.275  -3.529
  471   HG22  THR  63          HG22      THR  63 136.459   5.153  -4.618
  472   HG23  THR  63          HG23      THR  63 135.815   4.411  -3.154
  473    H    GLU  64           HN       GLU  64 135.505   7.644  -0.160
  474    HA   GLU  64           HA       GLU  64 137.068   9.953  -0.152
  475    HB2  GLU  64           HB2      GLU  64 134.646   9.962   0.155
  476    HB3  GLU  64           HB1      GLU  64 134.822   9.159   1.709
  477    HG2  GLU  64           HG2      GLU  64 136.001  11.100   2.585
  478    HG3  GLU  64           HG1      GLU  64 135.859  11.900   1.022
  479    H    THR  65           HN       THR  65 136.306   7.926   2.709
  480    HA   THR  65           HA       THR  65 138.637   9.034   4.061
  481    HB   THR  65           HB       THR  65 136.601   8.951   5.362
  482    HG1  THR  65           HG1      THR  65 138.642   8.448   6.405
  483   HG21  THR  65          HG21      THR  65 135.592   6.838   6.074
  484   HG22  THR  65          HG22      THR  65 136.628   5.972   4.942
  485   HG23  THR  65          HG23      THR  65 135.422   7.109   4.340
  486    H    GLY  66           HN       GLY  66 137.446   5.897   2.915
  487    HA2  GLY  66           HA2      GLY  66 138.903   4.228   2.062
  488    HA3  GLY  66           HA1      GLY  66 140.206   4.910   3.020
  489    H    GLU  67           HN       GLU  67 136.944   3.624   3.703
  490    HA   GLU  67           HA       GLU  67 138.167   1.708   5.558
  491    HB2  GLU  67           HB2      GLU  67 137.195   3.860   6.662
  492    HB3  GLU  67           HB1      GLU  67 135.634   3.127   6.324
  493    HG2  GLU  67           HG2      GLU  67 136.242   1.182   7.654
  494    HG3  GLU  67           HG1      GLU  67 137.833   1.877   7.960
  495    H    SER  68           HN       SER  68 137.208  -0.275   5.627
  496    HA   SER  68           HA       SER  68 135.319  -0.874   3.533
  497    HB2  SER  68           HB2      SER  68 135.795  -3.149   3.929
  498    HB3  SER  68           HB1      SER  68 137.320  -2.328   4.262
  499    HG   SER  68           HG       SER  68 137.205  -3.246   6.143
  500    H    ARG  69           HN       ARG  69 133.247  -1.713   3.772
  501    HA   ARG  69           HA       ARG  69 132.060  -1.617   6.458
  502    HB2  ARG  69           HB2      ARG  69 131.665   0.512   5.139
  503    HB3  ARG  69           HB1      ARG  69 130.721  -0.455   4.017
  504    HG2  ARG  69           HG2      ARG  69 128.956  -0.545   5.384
  505    HG3  ARG  69           HG1      ARG  69 129.952  -0.779   6.822
  506    HD2  ARG  69           HD2      ARG  69 130.421   1.849   5.895
  507    HD3  ARG  69           HD1      ARG  69 128.677   1.600   5.879
  508    HE   ARG  69           HE       ARG  69 128.693   1.510   8.174
  509   HH11  ARG  69          HH11      ARG  69 131.987   1.332   6.993
  510   HH12  ARG  69          HH12      ARG  69 132.693   1.556   8.557
  511   HH21  ARG  69          HH21      ARG  69 129.632   1.793  10.238
  512   HH22  ARG  69          HH22      ARG  69 131.356   1.815  10.399
  513    H    TRP  70           HN       TRP  70 130.244  -2.959   6.768
  514    HA   TRP  70           HA       TRP  70 129.680  -4.850   4.580
  515    HB2  TRP  70           HB2      TRP  70 130.054  -5.505   7.513
  516    HB3  TRP  70           HB1      TRP  70 129.491  -6.647   6.295
  517    HD1  TRP  70           HD1      TRP  70 132.628  -4.529   7.104
  518    HE1  TRP  70           HE1      TRP  70 134.684  -5.747   6.153
  519    HE3  TRP  70           HE3      TRP  70 130.262  -8.403   4.746
  520    HZ2  TRP  70           HZ2      TRP  70 135.233  -8.044   4.609
  521    HZ3  TRP  70           HZ3      TRP  70 131.628 -10.067   3.556
  522    HH2  TRP  70           HH2      TRP  70 134.062  -9.890   3.489
  523    H    GLU  71           HN       GLU  71 128.247  -2.440   5.466
  524    HA   GLU  71           HA       GLU  71 125.623  -3.663   5.829
  525    HB2  GLU  71           HB2      GLU  71 126.907  -1.732   7.723
  526    HB3  GLU  71           HB1      GLU  71 125.175  -1.622   7.449
  527    HG2  GLU  71           HG2      GLU  71 124.756  -3.397   8.718
  528    HG3  GLU  71           HG1      GLU  71 126.037  -4.343   7.968
  529    H    LYS  72           HN       LYS  72 124.266  -2.838   4.347
  530    HA   LYS  72           HA       LYS  72 124.999  -0.740   2.609
  531    HB2  LYS  72           HB2      LYS  72 123.357  -2.642   2.170
  532    HB3  LYS  72           HB1      LYS  72 122.177  -1.698   3.068
  533    HG2  LYS  72           HG2      LYS  72 123.058   0.146   1.292
  534    HG3  LYS  72           HG1      LYS  72 123.219  -1.337   0.349
  535    HD2  LYS  72           HD2      LYS  72 120.962  -1.754   0.363
  536    HD3  LYS  72           HD1      LYS  72 120.701  -0.884   1.875
  537    HE2  LYS  72           HE2      LYS  72 121.519   1.139   0.284
  538    HE3  LYS  72           HE1      LYS  72 120.735   0.100  -0.905
  539    HZ1  LYS  72           HZ1      LYS  72 119.329   1.851   0.288
  540    HZ2  LYS  72           HZ2      LYS  72 119.372   0.807   1.620
  541    HZ3  LYS  72           HZ3      LYS  72 118.696   0.287   0.159
  542    HA   PRO  73           HA       PRO  73 124.150   2.763   5.267
  543    HB2  PRO  73           HB2      PRO  73 123.965   4.141   2.633
  544    HB3  PRO  73           HB1      PRO  73 124.920   4.561   4.059
  545    HG2  PRO  73           HG2      PRO  73 126.078   3.476   1.921
  546    HG3  PRO  73           HG1      PRO  73 126.586   3.028   3.560
  547    HD2  PRO  73           HD2      PRO  73 124.902   1.513   1.614
  548    HD3  PRO  73           HD1      PRO  73 126.107   0.913   2.772
  549    H    ASP  74           HN       ASP  74 122.127   2.580   6.105
  550    HA   ASP  74           HA       ASP  74 119.895   3.478   4.417
  551    HB2  ASP  74           HB2      ASP  74 120.200   0.930   5.806
  552    HB3  ASP  74           HB1      ASP  74 118.731   1.776   6.281
  553    H    ASP  75           HN       ASP  75 119.311   5.398   5.189
  554    HA   ASP  75           HA       ASP  75 119.184   5.744   8.114
  555    HB2  ASP  75           HB2      ASP  75 120.908   7.121   6.764
  556    HB3  ASP  75           HB1      ASP  75 119.514   8.027   6.183
  Start of MODEL   18
    1    H1   ASP   1           HT1      ASP   1 101.278  -9.886  12.486
    2    H2   ASP   1           HT2      ASP   1 102.312  -9.208  11.296
    3    H3   ASP   1           HT3      ASP   1 102.616  -8.928  12.960
    4    HA   ASP   1           HA       ASP   1 104.050 -10.540  12.774
    5    HB2  ASP   1           HB2      ASP   1 101.359 -11.735  13.140
    6    HB3  ASP   1           HB1      ASP   1 102.668 -12.861  12.797
    7    HA   PRO   2           HA       PRO   2 103.361 -13.054   8.761
    8    HB2  PRO   2           HB2      PRO   2 101.018 -12.971   7.448
    9    HB3  PRO   2           HB1      PRO   2 101.271 -14.037   8.835
   10    HG2  PRO   2           HG2      PRO   2  99.907 -11.373   8.721
   11    HG3  PRO   2           HG1      PRO   2  99.397 -12.855   9.551
   12    HD2  PRO   2           HD2      PRO   2 100.634 -10.781  10.814
   13    HD3  PRO   2           HD1      PRO   2 100.769 -12.467  11.348
   14    H    SER   3           HN       SER   3 102.887 -12.597   6.288
   15    HA   SER   3           HA       SER   3 102.943  -9.719   5.735
   16    HB2  SER   3           HB2      SER   3 105.281 -10.333   5.904
   17    HB3  SER   3           HB1      SER   3 105.036 -11.705   4.825
   18    HG   SER   3           HG       SER   3 105.753  -9.315   4.127
   19    H    LYS   4           HN       LYS   4 101.353  -9.369   4.328
   20    HA   LYS   4           HA       LYS   4 101.170 -11.019   1.932
   21    HB2  LYS   4           HB2      LYS   4  99.581 -11.924   3.701
   22    HB3  LYS   4           HB1      LYS   4  98.694 -10.414   3.543
   23    HG2  LYS   4           HG2      LYS   4  98.756 -11.091   0.976
   24    HG3  LYS   4           HG1      LYS   4  98.893 -12.705   1.678
   25    HD2  LYS   4           HD2      LYS   4  96.903 -11.858   3.180
   26    HD3  LYS   4           HD1      LYS   4  96.655 -10.742   1.836
   27    HE2  LYS   4           HE2      LYS   4  95.300 -12.565   1.307
   28    HE3  LYS   4           HE1      LYS   4  96.753 -12.828   0.344
   29    HZ1  LYS   4           HZ1      LYS   4  95.685 -14.723   1.815
   30    HZ2  LYS   4           HZ2      LYS   4  96.666 -14.034   3.007
   31    HZ3  LYS   4           HZ3      LYS   4  97.357 -14.617   1.577
   32    H    GLY   5           HN       GLY   5 101.822  -9.304   0.669
   33    HA2  GLY   5           HA2      GLY   5  99.849  -7.452  -0.153
   34    HA3  GLY   5           HA1      GLY   5 101.014  -6.647   0.886
   35    H    ARG   6           HN       ARG   6 100.759  -5.741  -1.638
   36    HA   ARG   6           HA       ARG   6 103.305  -6.553  -2.851
   37    HB2  ARG   6           HB2      ARG   6 100.804  -5.994  -4.457
   38    HB3  ARG   6           HB1      ARG   6 102.376  -6.467  -5.087
   39    HG2  ARG   6           HG2      ARG   6 101.889  -8.529  -3.418
   40    HG3  ARG   6           HG1      ARG   6 100.244  -8.102  -3.890
   41    HD2  ARG   6           HD2      ARG   6 101.197  -8.096  -6.299
   42    HD3  ARG   6           HD1      ARG   6 102.526  -9.021  -5.601
   43    HE   ARG   6           HE       ARG   6 101.136 -10.835  -5.432
   44   HH11  ARG   6          HH11      ARG   6  99.206  -7.981  -6.051
   45   HH12  ARG   6          HH12      ARG   6  97.743  -8.870  -6.306
   46   HH21  ARG   6          HH21      ARG   6  99.201 -12.008  -5.765
   47   HH22  ARG   6          HH22      ARG   6  97.741 -11.158  -6.143
   48    H    TRP   7           HN       TRP   7 104.442  -4.770  -2.312
   49    HA   TRP   7           HA       TRP   7 103.428  -2.184  -3.292
   50    HB2  TRP   7           HB2      TRP   7 105.107  -2.614  -0.814
   51    HB3  TRP   7           HB1      TRP   7 104.495  -1.073  -1.403
   52    HD1  TRP   7           HD1      TRP   7 103.281  -4.334   0.237
   53    HE1  TRP   7           HE1      TRP   7 101.017  -3.882   1.369
   54    HE3  TRP   7           HE3      TRP   7 102.494   0.438  -1.417
   55    HZ2  TRP   7           HZ2      TRP   7  99.143  -1.769   1.543
   56    HZ3  TRP   7           HZ3      TRP   7 100.442   1.604  -0.724
   57    HH2  TRP   7           HH2      TRP   7  98.802   0.521   0.725
   58    H    VAL   8           HN       VAL   8 104.858  -0.870  -4.359
   59    HA   VAL   8           HA       VAL   8 107.541  -1.988  -4.850
   60    HB   VAL   8           HB       VAL   8 106.085  -2.008  -6.849
   61   HG11  VAL   8          HG11      VAL   8 106.190   0.990  -6.870
   62   HG12  VAL   8          HG12      VAL   8 104.855   0.119  -6.117
   63   HG13  VAL   8          HG13      VAL   8 105.186  -0.092  -7.836
   64   HG21  VAL   8          HG21      VAL   8 108.207  -1.946  -7.627
   65   HG22  VAL   8          HG22      VAL   8 108.626  -0.510  -6.693
   66   HG23  VAL   8          HG23      VAL   8 107.715  -0.351  -8.193
   67    H    GLU   9           HN       GLU   9 109.292  -0.723  -4.500
   68    HA   GLU   9           HA       GLU   9 108.831   1.878  -3.277
   69    HB2  GLU   9           HB2      GLU   9 110.331   0.270  -2.167
   70    HB3  GLU   9           HB1      GLU   9 111.387   0.290  -3.571
   71    HG2  GLU   9           HG2      GLU   9 111.708   2.741  -3.191
   72    HG3  GLU   9           HG1      GLU   9 110.824   2.557  -1.677
   73    H    GLY  10           HN       GLY  10 109.253   3.778  -4.183
   74    HA2  GLY  10           HA2      GLY  10 110.898   3.855  -6.624
   75    HA3  GLY  10           HA1      GLY  10 109.311   4.607  -6.606
   76    H    ILE  11           HN       ILE  11 111.986   5.780  -7.042
   77    HA   ILE  11           HA       ILE  11 112.289   7.531  -4.708
   78    HB   ILE  11           HB       ILE  11 114.019   7.484  -7.178
   79   HG12  ILE  11          HG12      ILE  11 114.013   5.245  -6.169
   80   HG13  ILE  11          HG11      ILE  11 115.568   6.036  -5.943
   81   HG21  ILE  11          HG21      ILE  11 114.940   8.279  -4.457
   82   HG22  ILE  11          HG22      ILE  11 113.972   9.408  -5.404
   83   HG23  ILE  11          HG23      ILE  11 115.504   8.813  -6.041
   84   HD11  ILE  11          HD11      ILE  11 114.495   4.735  -3.987
   85   HD12  ILE  11          HD12      ILE  11 113.494   6.174  -3.800
   86   HD13  ILE  11          HD13      ILE  11 115.248   6.299  -3.674
   87    H    THR  12           HN       THR  12 111.473   9.544  -4.693
   88    HA   THR  12           HA       THR  12 110.962  10.886  -7.257
   89    HB   THR  12           HB       THR  12 108.879  11.868  -6.095
   90    HG1  THR  12           HG1      THR  12 109.245   9.533  -4.527
   91   HG21  THR  12          HG21      THR  12 108.464  10.478  -7.928
   92   HG22  THR  12          HG22      THR  12 107.481   9.833  -6.613
   93   HG23  THR  12          HG23      THR  12 108.989   9.036  -7.062
   94    H    SER  13           HN       SER  13 110.886  13.216  -7.141
   95    HA   SER  13           HA       SER  13 111.717  15.235  -6.517
   96    HB2  SER  13           HB2      SER  13 110.009  14.880  -4.704
   97    HB3  SER  13           HB1      SER  13 111.304  14.263  -3.678
   98    HG   SER  13           HG       SER  13 111.079  16.861  -4.796
   99    H    GLU  14           HN       GLU  14 113.214  15.673  -3.942
  100    HA   GLU  14           HA       GLU  14 115.815  15.301  -4.927
  101    HB2  GLU  14           HB2      GLU  14 114.598  16.539  -2.675
  102    HB3  GLU  14           HB1      GLU  14 115.899  15.512  -2.087
  103    HG2  GLU  14           HG2      GLU  14 117.353  16.622  -3.854
  104    HG3  GLU  14           HG1      GLU  14 116.058  17.810  -4.000
  105    H    GLY  15           HN       GLY  15 113.756  13.167  -3.117
  106    HA2  GLY  15           HA2      GLY  15 115.041  10.841  -3.527
  107    HA3  GLY  15           HA1      GLY  15 115.940  11.514  -2.174
  108    H    TYR  16           HN       TYR  16 112.465  11.682  -2.866
  109    HA   TYR  16           HA       TYR  16 111.928  10.627  -0.195
  110    HB2  TYR  16           HB2      TYR  16 110.307  12.136  -2.226
  111    HB3  TYR  16           HB1      TYR  16 109.503  11.246  -0.938
  112    HD1  TYR  16           HD2      TYR  16 111.719  14.078  -1.705
  113    HD2  TYR  16           HD1      TYR  16 109.573  12.016   1.336
  114    HE1  TYR  16           HE2      TYR  16 112.058  15.981  -0.183
  115    HE2  TYR  16           HE1      TYR  16 109.904  13.911   2.864
  116    HH   TYR  16           HH       TYR  16 111.599  15.819   3.099
  117    H    HIS  17           HN       HIS  17 111.742   8.486  -0.040
  118    HA   HIS  17           HA       HIS  17 111.139   6.853  -2.309
  119    HB2  HIS  17           HB2      HIS  17 111.426   6.178   0.625
  120    HB3  HIS  17           HB1      HIS  17 111.195   4.981  -0.644
  121    HD1  HIS  17           HD1      HIS  17 113.397   3.840  -0.797
  122    HD2  HIS  17           HD2      HIS  17 113.793   7.972  -0.657
  123    HE1  HIS  17           HE1      HIS  17 115.843   4.291  -1.149
  124    HE2  HIS  17           HE2      HIS  17 116.076   6.792  -0.941
  125    H    TYR  18           HN       TYR  18 109.196   6.541  -3.096
  126    HA   TYR  18           HA       TYR  18 106.881   6.647  -1.286
  127    HB2  TYR  18           HB2      TYR  18 105.548   7.485  -3.028
  128    HB3  TYR  18           HB1      TYR  18 107.067   8.355  -3.190
  129    HD1  TYR  18           HD1      TYR  18 108.715   7.565  -4.960
  130    HD2  TYR  18           HD2      TYR  18 104.677   6.236  -4.812
  131    HE1  TYR  18           HE1      TYR  18 108.870   6.870  -7.308
  132    HE2  TYR  18           HE2      TYR  18 104.815   5.530  -7.163
  133    HH   TYR  18           HH       TYR  18 106.747   6.512  -9.268
  134    H    TYR  19           HN       TYR  19 105.191   5.117  -1.578
  135    HA   TYR  19           HA       TYR  19 106.027   2.695  -3.032
  136    HB2  TYR  19           HB2      TYR  19 104.539   2.776  -0.400
  137    HB3  TYR  19           HB1      TYR  19 105.069   1.333  -1.255
  138    HD1  TYR  19           HD2      TYR  19 107.666   1.212  -1.719
  139    HD2  TYR  19           HD1      TYR  19 105.870   3.610   1.305
  140    HE1  TYR  19           HE2      TYR  19 109.803   1.276  -0.507
  141    HE2  TYR  19           HE1      TYR  19 108.005   3.682   2.521
  142    HH   TYR  19           HH       TYR  19 110.932   2.793   1.162
  143    H    TYR  20           HN       TYR  20 104.391   1.436  -3.970
  144    HA   TYR  20           HA       TYR  20 101.705   2.626  -4.026
  145    HB2  TYR  20           HB2      TYR  20 102.705   3.464  -6.021
  146    HB3  TYR  20           HB1      TYR  20 103.431   1.906  -6.395
  147    HD1  TYR  20           HD1      TYR  20 102.077   0.097  -7.333
  148    HD2  TYR  20           HD2      TYR  20 100.394   3.927  -6.560
  149    HE1  TYR  20           HE1      TYR  20 100.149  -0.476  -8.742
  150    HE2  TYR  20           HE2      TYR  20  98.458   3.366  -7.968
  151    HH   TYR  20           HH       TYR  20  98.404   0.823 -10.100
  152    H    ASP  21           HN       ASP  21 100.005   1.182  -4.407
  153    HA   ASP  21           HA       ASP  21 100.726  -1.657  -4.077
  154    HB2  ASP  21           HB2      ASP  21  99.386  -0.471  -2.259
  155    HB3  ASP  21           HB1      ASP  21  98.058  -0.413  -3.410
  156    H    LEU  22           HN       LEU  22 100.355  -2.953  -5.757
  157    HA   LEU  22           HA       LEU  22  98.818  -1.984  -8.011
  158    HB2  LEU  22           HB2      LEU  22  99.512  -4.228  -9.011
  159    HB3  LEU  22           HB1      LEU  22 100.760  -3.038  -8.712
  160    HG   LEU  22           HG       LEU  22 100.312  -4.987  -6.534
  161   HD11  LEU  22          HD11      LEU  22 100.060  -6.524  -8.322
  162   HD12  LEU  22          HD12      LEU  22 101.722  -6.676  -7.752
  163   HD13  LEU  22          HD13      LEU  22 101.376  -5.785  -9.234
  164   HD21  LEU  22          HD21      LEU  22 102.974  -4.932  -7.209
  165   HD22  LEU  22          HD22      LEU  22 102.198  -3.914  -5.997
  166   HD23  LEU  22          HD23      LEU  22 102.430  -3.310  -7.637
  167    H    ILE  23           HN       ILE  23  98.312  -4.154  -5.350
  168    HA   ILE  23           HA       ILE  23  96.372  -5.858  -6.416
  169    HB   ILE  23           HB       ILE  23  96.395  -4.783  -3.593
  170   HG12  ILE  23          HG12      ILE  23  97.574  -7.429  -4.116
  171   HG13  ILE  23          HG11      ILE  23  98.478  -6.087  -4.809
  172   HG21  ILE  23          HG21      ILE  23  95.555  -7.546  -4.115
  173   HG22  ILE  23          HG22      ILE  23  94.492  -6.308  -4.784
  174   HG23  ILE  23          HG23      ILE  23  94.852  -6.322  -3.058
  175   HD11  ILE  23          HD11      ILE  23  99.091  -5.278  -2.788
  176   HD12  ILE  23          HD12      ILE  23  98.906  -6.977  -2.356
  177   HD13  ILE  23          HD13      ILE  23  97.619  -5.829  -1.990
  178    H    SER  24           HN       SER  24  95.912  -2.771  -4.684
  179    HA   SER  24           HA       SER  24  93.150  -2.695  -5.678
  180    HB2  SER  24           HB2      SER  24  94.500  -1.678  -3.260
  181    HB3  SER  24           HB1      SER  24  93.318  -0.580  -3.970
  182    HG   SER  24           HG       SER  24  92.541  -2.191  -2.379
  183    H    GLY  25           HN       GLY  25  96.130  -0.774  -5.541
  184    HA2  GLY  25           HA2      GLY  25  96.827   0.547  -7.414
  185    HA3  GLY  25           HA1      GLY  25  95.138   0.763  -7.846
  186    H    ALA  26           HN       ALA  26  97.023   1.294  -4.859
  187    HA   ALA  26           HA       ALA  26  96.207   4.118  -4.937
  188    HB1  ALA  26           HB1      ALA  26  94.954   2.401  -3.282
  189    HB2  ALA  26           HB2      ALA  26  95.205   4.107  -2.914
  190    HB3  ALA  26           HB3      ALA  26  96.301   2.893  -2.255
  191    H    SER  27           HN       SER  27  97.836   5.489  -4.633
  192    HA   SER  27           HA       SER  27 100.480   4.504  -4.115
  193    HB2  SER  27           HB2      SER  27 100.459   6.265  -5.663
  194    HB3  SER  27           HB1      SER  27  99.326   7.220  -4.706
  195    HG   SER  27           HG       SER  27 100.989   8.132  -3.825
  196    H    GLN  28           HN       GLN  28 101.811   4.939  -2.365
  197    HA   GLN  28           HA       GLN  28 100.555   6.109   0.024
  198    HB2  GLN  28           HB2      GLN  28 100.590   3.535  -0.069
  199    HB3  GLN  28           HB1      GLN  28 102.327   3.678   0.149
  200    HG2  GLN  28           HG2      GLN  28 102.102   4.577   2.292
  201    HG3  GLN  28           HG1      GLN  28 100.399   4.963   2.048
  202   HE21  GLN  28          HE21      GLN  28  98.923   3.544   2.716
  203   HE22  GLN  28          HE22      GLN  28  99.253   1.933   3.245
  204    H    TRP  29           HN       TRP  29 102.243   6.550   1.766
  205    HA   TRP  29           HA       TRP  29 104.823   7.309   0.570
  206    HB2  TRP  29           HB2      TRP  29 102.995   8.969   2.293
  207    HB3  TRP  29           HB1      TRP  29 104.717   9.316   2.179
  208    HD1  TRP  29           HD1      TRP  29 101.473   9.880   0.410
  209    HE1  TRP  29           HE1      TRP  29 101.877  11.166  -1.781
  210    HE3  TRP  29           HE3      TRP  29 106.569   9.520   0.179
  211    HZ2  TRP  29           HZ2      TRP  29 104.062  11.929  -3.395
  212    HZ3  TRP  29           HZ3      TRP  29 107.738  10.557  -1.722
  213    HH2  TRP  29           HH2      TRP  29 106.509  11.736  -3.471
  214    H    GLU  30           HN       GLU  30 103.074   6.720   3.622
  215    HA   GLU  30           HA       GLU  30 105.508   6.322   5.111
  216    HB2  GLU  30           HB2      GLU  30 102.596   6.281   5.703
  217    HB3  GLU  30           HB1      GLU  30 103.629   5.327   6.757
  218    HG2  GLU  30           HG2      GLU  30 103.702   7.268   7.901
  219    HG3  GLU  30           HG1      GLU  30 105.022   7.595   6.779
  220    H    LYS  31           HN       LYS  31 106.582   4.463   5.426
  221    HA   LYS  31           HA       LYS  31 105.882   2.136   3.943
  222    HB2  LYS  31           HB2      LYS  31 108.220   2.921   4.507
  223    HB3  LYS  31           HB1      LYS  31 107.947   2.321   6.136
  224    HG2  LYS  31           HG2      LYS  31 107.415   0.079   5.007
  225    HG3  LYS  31           HG1      LYS  31 108.180   0.778   3.579
  226    HD2  LYS  31           HD2      LYS  31 109.458   0.497   6.300
  227    HD3  LYS  31           HD1      LYS  31 109.764  -0.544   4.909
  228    HE2  LYS  31           HE2      LYS  31 110.159   2.023   3.937
  229    HE3  LYS  31           HE1      LYS  31 110.856   2.067   5.554
  230    HZ1  LYS  31           HZ1      LYS  31 112.465   0.579   5.002
  231    HZ2  LYS  31           HZ2      LYS  31 112.238   1.282   3.481
  232    HZ3  LYS  31           HZ3      LYS  31 111.524  -0.208   3.837
  233    HA   PRO  32           HA       PRO  32 103.282   0.216   7.015
  234    HB2  PRO  32           HB2      PRO  32 103.085  -2.241   5.914
  235    HB3  PRO  32           HB1      PRO  32 102.270  -0.831   5.225
  236    HG2  PRO  32           HG2      PRO  32 104.847  -2.119   4.399
  237    HG3  PRO  32           HG1      PRO  32 103.508  -1.551   3.384
  238    HD2  PRO  32           HD2      PRO  32 105.771  -0.105   3.768
  239    HD3  PRO  32           HD1      PRO  32 104.186   0.648   3.501
  240    H    GLU  33           HN       GLU  33 103.259  -2.109   8.123
  241    HA   GLU  33           HA       GLU  33 105.902  -2.403   9.330
  242    HB2  GLU  33           HB2      GLU  33 103.275  -2.456  10.343
  243    HB3  GLU  33           HB1      GLU  33 103.889  -4.095  10.515
  244    HG2  GLU  33           HG2      GLU  33 105.016  -3.486  12.310
  245    HG3  GLU  33           HG1      GLU  33 105.934  -2.327  11.350
  246    H    GLY  34           HN       GLY  34 105.408  -3.480   6.657
  247    HA2  GLY  34           HA2      GLY  34 106.448  -6.129   7.122
  248    HA3  GLY  34           HA1      GLY  34 104.850  -6.120   6.396
  249    H    PHE  35           HN       PHE  35 107.332  -3.704   5.746
  250    HA   PHE  35           HA       PHE  35 107.458  -4.693   2.973
  251    HB2  PHE  35           HB2      PHE  35 106.453  -2.438   3.274
  252    HB3  PHE  35           HB1      PHE  35 107.964  -1.885   3.984
  253    HD1  PHE  35           HD2      PHE  35 106.325  -2.991   0.885
  254    HD2  PHE  35           HD1      PHE  35 109.857  -1.367   2.620
  255    HE1  PHE  35           HE2      PHE  35 107.159  -2.410  -1.359
  256    HE2  PHE  35           HE1      PHE  35 110.693  -0.783   0.382
  257    HZ   PHE  35           HZ       PHE  35 109.343  -1.306  -1.610
  258    H    GLN  36           HN       GLN  36 109.402  -3.149   5.530
  259    HA   GLN  36           HA       GLN  36 111.658  -4.805   4.962
  260    HB2  GLN  36           HB2      GLN  36 111.463  -2.213   3.658
  261    HB3  GLN  36           HB1      GLN  36 112.898  -2.327   4.667
  262    HG2  GLN  36           HG2      GLN  36 112.579  -4.725   3.123
  263    HG3  GLN  36           HG1      GLN  36 112.537  -3.309   2.075
  264   HE21  GLN  36          HE21      GLN  36 114.416  -4.973   4.541
  265   HE22  GLN  36          HE22      GLN  36 115.947  -4.324   4.073
  266    H    GLY  37           HN       GLY  37 113.690  -3.736   6.225
  267    HA2  GLY  37           HA2      GLY  37 113.630  -2.024   8.274
  268    HA3  GLY  37           HA1      GLY  37 112.689  -3.352   8.933
  269    H    ASP  38           HN       ASP  38 115.193  -2.318   9.933
  270    HA   ASP  38           HA       ASP  38 116.589  -4.793  10.250
  271    HB2  ASP  38           HB2      ASP  38 117.459  -3.922   8.043
  272    HB3  ASP  38           HB1      ASP  38 118.145  -2.567   8.931
  273    H    LEU  39           HN       LEU  39 117.603  -4.851  12.182
  274    HA   LEU  39           HA       LEU  39 118.110  -2.290  13.551
  275    HB2  LEU  39           HB2      LEU  39 117.382  -3.219  15.635
  276    HB3  LEU  39           HB1      LEU  39 116.109  -3.439  14.451
  277    HG   LEU  39           HG       LEU  39 117.407  -5.820  14.235
  278   HD11  LEU  39          HD11      LEU  39 117.778  -6.588  16.581
  279   HD12  LEU  39          HD12      LEU  39 117.690  -4.901  17.090
  280   HD13  LEU  39          HD13      LEU  39 118.970  -5.428  15.997
  281   HD21  LEU  39          HD21      LEU  39 115.150  -4.983  16.040
  282   HD22  LEU  39          HD22      LEU  39 115.606  -6.669  15.793
  283   HD23  LEU  39          HD23      LEU  39 115.053  -5.695  14.430
  284    H    LYS  40           HN       LYS  40 119.732  -2.424  15.299
  285    HA   LYS  40           HA       LYS  40 121.790  -4.450  14.710
  286    HB2  LYS  40           HB2      LYS  40 121.956  -1.510  15.024
  287    HB3  LYS  40           HB1      LYS  40 123.246  -2.440  15.773
  288    HG2  LYS  40           HG2      LYS  40 123.949  -1.810  13.587
  289    HG3  LYS  40           HG1      LYS  40 123.639  -3.547  13.580
  290    HD2  LYS  40           HD2      LYS  40 121.771  -3.345  12.256
  291    HD3  LYS  40           HD1      LYS  40 121.433  -1.701  12.799
  292    HE2  LYS  40           HE2      LYS  40 122.258  -1.102  10.800
  293    HE3  LYS  40           HE1      LYS  40 123.827  -1.367  11.558
  294    HZ1  LYS  40           HZ1      LYS  40 123.762  -2.512   9.477
  295    HZ2  LYS  40           HZ2      LYS  40 122.315  -3.294   9.876
  296    HZ3  LYS  40           HZ3      LYS  40 123.739  -3.673  10.708
  297    H    LYS  41           HN       LYS  41 122.878  -5.405  16.408
  298    HA   LYS  41           HA       LYS  41 121.523  -5.319  18.963
  299    HB2  LYS  41           HB2      LYS  41 123.018  -7.248  17.501
  300    HB3  LYS  41           HB1      LYS  41 123.835  -6.998  19.036
  301    HG2  LYS  41           HG2      LYS  41 120.897  -7.364  19.104
  302    HG3  LYS  41           HG1      LYS  41 121.891  -8.771  18.721
  303    HD2  LYS  41           HD2      LYS  41 123.265  -8.094  20.795
  304    HD3  LYS  41           HD1      LYS  41 121.868  -7.100  21.213
  305    HE2  LYS  41           HE2      LYS  41 120.442  -9.010  21.305
  306    HE3  LYS  41           HE1      LYS  41 121.690 -10.047  20.616
  307    HZ1  LYS  41           HZ1      LYS  41 121.534  -8.902  23.331
  308    HZ2  LYS  41           HZ2      LYS  41 123.024  -9.380  22.687
  309    HZ3  LYS  41           HZ3      LYS  41 121.780 -10.511  22.867
  310    H    THR  42           HN       THR  42 122.123  -3.149  19.538
  311    HA   THR  42           HA       THR  42 123.268  -1.652  20.783
  312    HB   THR  42           HB       THR  42 125.043  -4.007  21.439
  313    HG1  THR  42           HG1      THR  42 122.815  -2.868  22.774
  314   HG21  THR  42          HG21      THR  42 124.942  -2.157  23.564
  315   HG22  THR  42          HG22      THR  42 125.385  -1.263  22.109
  316   HG23  THR  42          HG23      THR  42 126.339  -2.658  22.611
  317    H    ALA  43           HN       ALA  43 126.052  -3.615  19.766
  318    HA   ALA  43           HA       ALA  43 127.328  -1.230  18.713
  319    HB1  ALA  43           HB1      ALA  43 128.746  -2.651  19.999
  320    HB2  ALA  43           HB2      ALA  43 129.266  -2.778  18.318
  321    HB3  ALA  43           HB3      ALA  43 128.299  -4.064  19.042
  322    H    VAL  44           HN       VAL  44 127.200  -0.618  16.652
  323    HA   VAL  44           HA       VAL  44 125.913  -2.288  14.705
  324    HB   VAL  44           HB       VAL  44 125.528   0.138  14.728
  325   HG11  VAL  44          HG11      VAL  44 127.928   0.697  15.338
  326   HG12  VAL  44          HG12      VAL  44 127.157   1.736  14.140
  327   HG13  VAL  44          HG13      VAL  44 128.302   0.498  13.626
  328   HG21  VAL  44          HG21      VAL  44 126.845  -0.212  12.114
  329   HG22  VAL  44          HG22      VAL  44 125.179   0.219  12.500
  330   HG23  VAL  44          HG23      VAL  44 125.693  -1.466  12.575
  331    H    LYS  45           HN       LYS  45 126.829  -3.631  13.287
  332    HA   LYS  45           HA       LYS  45 129.752  -3.547  12.994
  333    HB2  LYS  45           HB2      LYS  45 129.612  -5.888  12.299
  334    HB3  LYS  45           HB1      LYS  45 128.883  -5.647  13.879
  335    HG2  LYS  45           HG2      LYS  45 126.682  -5.413  12.421
  336    HG3  LYS  45           HG1      LYS  45 127.627  -6.391  11.297
  337    HD2  LYS  45           HD2      LYS  45 126.392  -7.907  12.637
  338    HD3  LYS  45           HD1      LYS  45 128.057  -7.972  13.214
  339    HE2  LYS  45           HE2      LYS  45 127.110  -7.725  15.239
  340    HE3  LYS  45           HE1      LYS  45 127.057  -6.019  14.797
  341    HZ1  LYS  45           HZ1      LYS  45 124.796  -6.308  14.030
  342    HZ2  LYS  45           HZ2      LYS  45 124.925  -6.821  15.636
  343    HZ3  LYS  45           HZ3      LYS  45 124.844  -7.961  14.389
  344    H    THR  46           HN       THR  46 130.447  -2.555  11.226
  345    HA   THR  46           HA       THR  46 128.745  -2.354   8.878
  346    HB   THR  46           HB       THR  46 130.349  -0.742   8.054
  347    HG1  THR  46           HG1      THR  46 132.339  -1.206   8.565
  348   HG21  THR  46          HG21      THR  46 130.652   0.585  10.397
  349   HG22  THR  46          HG22      THR  46 129.298  -0.481  10.767
  350   HG23  THR  46          HG23      THR  46 129.200   0.623   9.395
  351    H    VAL  47           HN       VAL  47 128.854  -3.699   7.226
  352    HA   VAL  47           HA       VAL  47 131.311  -5.278   6.844
  353    HB   VAL  47           HB       VAL  47 129.263  -6.538   7.512
  354   HG11  VAL  47          HG11      VAL  47 128.256  -5.691   4.800
  355   HG12  VAL  47          HG12      VAL  47 127.590  -5.219   6.363
  356   HG13  VAL  47          HG13      VAL  47 127.503  -6.901   5.840
  357   HG21  VAL  47          HG21      VAL  47 129.579  -7.800   4.986
  358   HG22  VAL  47          HG22      VAL  47 130.294  -8.238   6.537
  359   HG23  VAL  47          HG23      VAL  47 131.132  -7.117   5.465
  360    H    TRP  48           HN       TRP  48 130.482  -2.578   5.692
  361    HA   TRP  48           HA       TRP  48 130.738  -3.304   2.845
  362    HB2  TRP  48           HB2      TRP  48 129.360  -0.917   4.087
  363    HB3  TRP  48           HB1      TRP  48 129.675  -1.082   2.364
  364    HD1  TRP  48           HD1      TRP  48 127.517  -2.589   5.162
  365    HE1  TRP  48           HE1      TRP  48 125.548  -3.847   4.081
  366    HE3  TRP  48           HE3      TRP  48 128.921  -2.230   0.259
  367    HZ2  TRP  48           HZ2      TRP  48 124.705  -4.591   1.489
  368    HZ3  TRP  48           HZ3      TRP  48 127.480  -3.242  -1.460
  369    HH2  TRP  48           HH2      TRP  48 125.415  -4.398  -0.855
  370    H    VAL  49           HN       VAL  49 132.238  -2.229   1.604
  371    HA   VAL  49           HA       VAL  49 134.222  -0.655   3.101
  372    HB   VAL  49           HB       VAL  49 135.101  -2.708   2.069
  373   HG11  VAL  49          HG11      VAL  49 135.236  -2.935  -0.353
  374   HG12  VAL  49          HG12      VAL  49 134.326  -1.438  -0.554
  375   HG13  VAL  49          HG13      VAL  49 133.558  -2.847   0.177
  376   HG21  VAL  49          HG21      VAL  49 136.364  -0.420   2.212
  377   HG22  VAL  49          HG22      VAL  49 136.266  -0.484   0.452
  378   HG23  VAL  49          HG23      VAL  49 137.078  -1.775   1.337
  379    H    GLU  50           HN       GLU  50 134.766   1.383   2.482
  380    HA   GLU  50           HA       GLU  50 133.080   2.630   0.456
  381    HB2  GLU  50           HB2      GLU  50 133.301   3.691   2.674
  382    HB3  GLU  50           HB1      GLU  50 135.031   3.866   2.414
  383    HG2  GLU  50           HG2      GLU  50 133.647   5.032   0.210
  384    HG3  GLU  50           HG1      GLU  50 132.959   5.647   1.711
  385    H    GLY  51           HN       GLY  51 133.760   2.962  -1.550
  386    HA2  GLY  51           HA2      GLY  51 136.671   3.087  -2.045
  387    HA3  GLY  51           HA1      GLY  51 135.536   2.336  -3.156
  388    H    LEU  52           HN       LEU  52 137.417   4.478  -3.724
  389    HA   LEU  52           HA       LEU  52 135.533   6.662  -4.313
  390    HB2  LEU  52           HB2      LEU  52 138.060   6.746  -3.107
  391    HB3  LEU  52           HB1      LEU  52 138.295   7.384  -4.726
  392    HG   LEU  52           HG       LEU  52 135.936   8.564  -3.624
  393   HD11  LEU  52          HD11      LEU  52 136.496   8.426  -1.428
  394   HD12  LEU  52          HD12      LEU  52 137.413   9.871  -1.854
  395   HD13  LEU  52          HD13      LEU  52 138.225   8.308  -1.756
  396   HD21  LEU  52          HD21      LEU  52 136.957  10.561  -4.269
  397   HD22  LEU  52          HD22      LEU  52 137.602   9.367  -5.394
  398   HD23  LEU  52          HD23      LEU  52 138.582   9.915  -4.035
  399    H    SER  53           HN       SER  53 135.322   7.449  -6.350
  400    HA   SER  53           HA       SER  53 136.776   6.053  -8.499
  401    HB2  SER  53           HB2      SER  53 134.507   5.215  -8.455
  402    HB3  SER  53           HB1      SER  53 133.860   6.854  -8.400
  403    HG   SER  53           HG       SER  53 133.731   6.204 -10.500
  404    H    GLU  54           HN       GLU  54 137.166   7.267 -10.416
  405    HA   GLU  54           HA       GLU  54 138.180   9.776 -10.145
  406    HB2  GLU  54           HB2      GLU  54 137.391   8.095 -12.388
  407    HB3  GLU  54           HB1      GLU  54 137.271   9.809 -12.763
  408    HG2  GLU  54           HG2      GLU  54 139.707   9.577 -11.471
  409    HG3  GLU  54           HG1      GLU  54 139.607   8.128 -12.469
  410    H    ASP  55           HN       ASP  55 137.532  11.877 -10.875
  411    HA   ASP  55           HA       ASP  55 136.129  13.650 -11.138
  412    HB2  ASP  55           HB2      ASP  55 133.845  11.670 -11.207
  413    HB3  ASP  55           HB1      ASP  55 133.788  13.358 -11.695
  414    H    GLY  56           HN       GLY  56 134.595  11.171  -9.063
  415    HA2  GLY  56           HA2      GLY  56 134.972  11.924  -6.597
  416    HA3  GLY  56           HA1      GLY  56 133.952  13.262  -7.108
  417    H    PHE  57           HN       PHE  57 133.879   9.722  -7.596
  418    HA   PHE  57           HA       PHE  57 131.105   9.758  -6.596
  419    HB2  PHE  57           HB2      PHE  57 132.175   7.773  -8.603
  420    HB3  PHE  57           HB1      PHE  57 130.500   8.053  -8.152
  421    HD1  PHE  57           HD1      PHE  57 129.903  10.741  -8.465
  422    HD2  PHE  57           HD2      PHE  57 132.690   8.441 -10.716
  423    HE1  PHE  57           HE1      PHE  57 129.664  12.301 -10.351
  424    HE2  PHE  57           HE2      PHE  57 132.456   9.999 -12.604
  425    HZ   PHE  57           HZ       PHE  57 130.942  11.932 -12.424
  426    H    THR  58           HN       THR  58 130.893   8.732  -4.723
  427    HA   THR  58           HA       THR  58 132.927   6.850  -3.854
  428    HB   THR  58           HB       THR  58 130.490   7.471  -2.231
  429    HG1  THR  58           HG1      THR  58 131.098   9.464  -1.838
  430   HG21  THR  58          HG21      THR  58 131.708   6.355  -0.750
  431   HG22  THR  58          HG22      THR  58 132.728   7.791  -0.671
  432   HG23  THR  58          HG23      THR  58 133.162   6.458  -1.741
  433    H    TYR  59           HN       TYR  59 132.772   4.741  -4.156
  434    HA   TYR  59           HA       TYR  59 130.108   3.551  -4.554
  435    HB2  TYR  59           HB2      TYR  59 131.064   1.929  -6.004
  436    HB3  TYR  59           HB1      TYR  59 131.716   3.483  -6.506
  437    HD1  TYR  59           HD2      TYR  59 134.073   4.019  -6.147
  438    HD2  TYR  59           HD1      TYR  59 132.479   0.242  -5.009
  439    HE1  TYR  59           HE2      TYR  59 136.354   3.122  -5.947
  440    HE2  TYR  59           HE1      TYR  59 134.753  -0.665  -4.806
  441    HH   TYR  59           HH       TYR  59 137.118   0.024  -5.946
  442    H    TYR  60           HN       TYR  60 129.591   1.613  -3.511
  443    HA   TYR  60           HA       TYR  60 131.439   0.838  -1.342
  444    HB2  TYR  60           HB2      TYR  60 128.415   0.761  -1.252
  445    HB3  TYR  60           HB1      TYR  60 129.516   0.376   0.068
  446    HD1  TYR  60           HD1      TYR  60 131.175   2.328   0.722
  447    HD2  TYR  60           HD2      TYR  60 127.492   2.883  -1.336
  448    HE1  TYR  60           HE1      TYR  60 131.126   4.676   1.452
  449    HE2  TYR  60           HE2      TYR  60 127.434   5.232  -0.612
  450    HH   TYR  60           HH       TYR  60 128.917   6.458   1.776
  451    H    TYR  61           HN       TYR  61 131.738  -1.323  -0.931
  452    HA   TYR  61           HA       TYR  61 130.353  -3.237  -2.690
  453    HB2  TYR  61           HB2      TYR  61 132.523  -2.841  -3.665
  454    HB3  TYR  61           HB1      TYR  61 133.313  -3.052  -2.108
  455    HD1  TYR  61           HD1      TYR  61 131.482  -4.833  -4.791
  456    HD2  TYR  61           HD2      TYR  61 133.956  -5.195  -1.349
  457    HE1  TYR  61           HE1      TYR  61 131.822  -7.216  -5.293
  458    HE2  TYR  61           HE2      TYR  61 134.301  -7.578  -1.839
  459    HH   TYR  61           HH       TYR  61 134.210  -9.092  -3.793
  460    H    ASN  62           HN       ASN  62 130.123  -5.368  -1.881
  461    HA   ASN  62           HA       ASN  62 130.511  -5.600   1.034
  462    HB2  ASN  62           HB2      ASN  62 128.127  -5.520   0.183
  463    HB3  ASN  62           HB1      ASN  62 128.435  -7.063  -0.603
  464   HD21  ASN  62          HD21      ASN  62 126.679  -7.840   0.714
  465   HD22  ASN  62          HD22      ASN  62 126.984  -8.317   2.346
  466    H    THR  63           HN       THR  63 131.626  -7.287   1.822
  467    HA   THR  63           HA       THR  63 132.993  -9.018  -0.046
  468    HB   THR  63           HB       THR  63 134.112  -9.899   2.026
  469    HG1  THR  63           HG1      THR  63 132.937  -7.773   3.437
  470   HG21  THR  63          HG21      THR  63 135.436  -7.963   2.491
  471   HG22  THR  63          HG22      THR  63 134.192  -6.898   1.835
  472   HG23  THR  63          HG23      THR  63 135.065  -7.998   0.768
  473    H    GLU  64           HN       GLU  64 130.280  -9.257   2.129
  474    HA   GLU  64           HA       GLU  64 130.234 -12.040   2.503
  475    HB2  GLU  64           HB2      GLU  64 128.895 -10.406   3.811
  476    HB3  GLU  64           HB1      GLU  64 127.866 -10.162   2.407
  477    HG2  GLU  64           HG2      GLU  64 126.966 -12.309   2.545
  478    HG3  GLU  64           HG1      GLU  64 128.263 -12.884   3.589
  479    H    THR  65           HN       THR  65 128.059 -10.187   0.336
  480    HA   THR  65           HA       THR  65 127.565 -12.589  -1.209
  481    HB   THR  65           HB       THR  65 125.671 -11.148  -0.770
  482    HG1  THR  65           HG1      THR  65 125.870 -12.210  -2.870
  483   HG21  THR  65          HG21      THR  65 127.394  -9.014  -1.192
  484   HG22  THR  65          HG22      THR  65 125.658  -8.943  -0.896
  485   HG23  THR  65          HG23      THR  65 126.272  -8.968  -2.550
  486    H    GLY  66           HN       GLY  66 129.330  -9.561  -1.589
  487    HA2  GLY  66           HA2      GLY  66 131.164  -9.227  -3.001
  488    HA3  GLY  66           HA1      GLY  66 130.763 -10.717  -3.839
  489    H    GLU  67           HN       GLU  67 128.914  -7.728  -3.221
  490    HA   GLU  67           HA       GLU  67 128.688  -7.376  -6.135
  491    HB2  GLU  67           HB2      GLU  67 126.612  -8.372  -5.175
  492    HB3  GLU  67           HB1      GLU  67 126.441  -6.950  -4.156
  493    HG2  GLU  67           HG2      GLU  67 126.121  -5.541  -6.067
  494    HG3  GLU  67           HG1      GLU  67 126.491  -6.870  -7.164
  495    H    SER  68           HN       SER  68 128.900  -5.336  -6.888
  496    HA   SER  68           HA       SER  68 129.783  -3.310  -5.009
  497    HB2  SER  68           HB2      SER  68 129.533  -2.603  -7.874
  498    HB3  SER  68           HB1      SER  68 130.878  -2.351  -6.763
  499    HG   SER  68           HG       SER  68 131.482  -4.492  -7.055
  500    H    ARG  69           HN       ARG  69 128.839  -1.288  -4.719
  501    HA   ARG  69           HA       ARG  69 126.172  -0.875  -5.880
  502    HB2  ARG  69           HB2      ARG  69 126.303  -1.835  -3.425
  503    HB3  ARG  69           HB1      ARG  69 126.647  -0.162  -3.015
  504    HG2  ARG  69           HG2      ARG  69 124.535   0.502  -3.382
  505    HG3  ARG  69           HG1      ARG  69 124.333  -0.554  -4.781
  506    HD2  ARG  69           HD2      ARG  69 124.570  -2.229  -2.526
  507    HD3  ARG  69           HD1      ARG  69 123.455  -0.939  -2.079
  508    HE   ARG  69           HE       ARG  69 121.924  -1.785  -3.565
  509   HH11  ARG  69          HH11      ARG  69 125.043  -3.244  -4.189
  510   HH12  ARG  69          HH12      ARG  69 124.406  -4.453  -5.251
  511   HH21  ARG  69          HH21      ARG  69 121.090  -3.375  -4.986
  512   HH22  ARG  69          HH22      ARG  69 122.166  -4.527  -5.704
  513    H    TRP  70           HN       TRP  70 125.443   1.338  -5.862
  514    HA   TRP  70           HA       TRP  70 127.603   3.310  -5.503
  515    HB2  TRP  70           HB2      TRP  70 125.630   3.105  -7.786
  516    HB3  TRP  70           HB1      TRP  70 126.636   4.519  -7.493
  517    HD1  TRP  70           HD1      TRP  70 126.809   0.930  -8.770
  518    HE1  TRP  70           HE1      TRP  70 129.090   0.555  -9.901
  519    HE3  TRP  70           HE3      TRP  70 129.096   5.314  -7.464
  520    HZ2  TRP  70           HZ2      TRP  70 131.535   1.933 -10.201
  521    HZ3  TRP  70           HZ3      TRP  70 131.406   5.707  -8.215
  522    HH2  TRP  70           HH2      TRP  70 132.599   4.050  -9.555
  523    H    GLU  71           HN       GLU  71 125.419   2.538  -3.709
  524    HA   GLU  71           HA       GLU  71 124.336   5.197  -3.249
  525    HB2  GLU  71           HB2      GLU  71 122.714   2.856  -4.062
  526    HB3  GLU  71           HB1      GLU  71 122.095   3.772  -2.696
  527    HG2  GLU  71           HG2      GLU  71 121.504   5.520  -3.967
  528    HG3  GLU  71           HG1      GLU  71 122.939   5.403  -4.983
  529    H    LYS  72           HN       LYS  72 124.461   5.688  -1.137
  530    HA   LYS  72           HA       LYS  72 125.539   3.873   0.741
  531    HB2  LYS  72           HB2      LYS  72 125.234   6.611   0.603
  532    HB3  LYS  72           HB1      LYS  72 124.133   6.171   1.900
  533    HG2  LYS  72           HG2      LYS  72 126.991   5.250   1.831
  534    HG3  LYS  72           HG1      LYS  72 126.498   6.780   2.559
  535    HD2  LYS  72           HD2      LYS  72 124.784   4.702   3.512
  536    HD3  LYS  72           HD1      LYS  72 126.463   4.198   3.715
  537    HE2  LYS  72           HE2      LYS  72 126.899   6.416   4.801
  538    HE3  LYS  72           HE1      LYS  72 125.162   6.711   4.754
  539    HZ1  LYS  72           HZ1      LYS  72 126.665   4.749   6.355
  540    HZ2  LYS  72           HZ2      LYS  72 125.045   4.450   5.975
  541    HZ3  LYS  72           HZ3      LYS  72 125.466   5.838   6.847
  542    HA   PRO  73           HA       PRO  73 121.729   1.832   1.923
  543    HB2  PRO  73           HB2      PRO  73 122.748   0.347   3.947
  544    HB3  PRO  73           HB1      PRO  73 123.023  -0.043   2.246
  545    HG2  PRO  73           HG2      PRO  73 124.819   1.387   4.170
  546    HG3  PRO  73           HG1      PRO  73 125.221   0.117   2.999
  547    HD2  PRO  73           HD2      PRO  73 125.688   2.740   2.518
  548    HD3  PRO  73           HD1      PRO  73 125.275   1.593   1.226
  549    H    ASP  74           HN       ASP  74 120.692   1.313   4.216
  550    HA   ASP  74           HA       ASP  74 119.848   2.034   6.209
  551    HB2  ASP  74           HB2      ASP  74 122.268   2.548   6.755
  552    HB3  ASP  74           HB1      ASP  74 121.955   4.200   6.236
  553    H    ASP  75           HN       ASP  75 118.523   3.790   7.069
  554    HA   ASP  75           HA       ASP  75 117.319   5.292   4.912
  555    HB2  ASP  75           HB2      ASP  75 116.553   5.153   7.838
  556    HB3  ASP  75           HB1      ASP  75 115.586   5.861   6.548
  Start of MODEL   19
    1    H1   ASP   1           HT1      ASP   1 116.104  -9.452  -0.598
    2    H2   ASP   1           HT2      ASP   1 116.163  -9.784   1.085
    3    H3   ASP   1           HT3      ASP   1 117.436 -10.308   0.061
    4    HA   ASP   1           HA       ASP   1 117.953  -8.348   1.406
    5    HB2  ASP   1           HB2      ASP   1 118.341  -8.864  -1.398
    6    HB3  ASP   1           HB1      ASP   1 118.286  -7.124  -1.133
    7    HA   PRO   2           HA       PRO   2 114.034  -5.900   1.488
    8    HB2  PRO   2           HB2      PRO   2 115.574  -4.790   3.790
    9    HB3  PRO   2           HB1      PRO   2 113.876  -5.271   3.698
   10    HG2  PRO   2           HG2      PRO   2 115.643  -6.817   4.939
   11    HG3  PRO   2           HG1      PRO   2 114.366  -7.530   3.935
   12    HD2  PRO   2           HD2      PRO   2 117.270  -7.163   3.334
   13    HD3  PRO   2           HD1      PRO   2 116.188  -8.504   2.906
   14    H    SER   3           HN       SER   3 113.814  -4.158   0.228
   15    HA   SER   3           HA       SER   3 116.089  -2.327  -0.091
   16    HB2  SER   3           HB2      SER   3 115.026  -3.520  -2.099
   17    HB3  SER   3           HB1      SER   3 113.660  -2.431  -1.873
   18    HG   SER   3           HG       SER   3 115.986  -1.949  -3.086
   19    H    LYS   4           HN       LYS   4 115.272  -0.011  -0.769
   20    HA   LYS   4           HA       LYS   4 112.995   0.854   0.845
   21    HB2  LYS   4           HB2      LYS   4 115.850   1.687   1.276
   22    HB3  LYS   4           HB1      LYS   4 114.530   2.773   1.688
   23    HG2  LYS   4           HG2      LYS   4 113.666   1.241   3.293
   24    HG3  LYS   4           HG1      LYS   4 114.770  -0.027   2.761
   25    HD2  LYS   4           HD2      LYS   4 116.525   1.940   3.386
   26    HD3  LYS   4           HD1      LYS   4 115.234   2.272   4.542
   27    HE2  LYS   4           HE2      LYS   4 115.464   0.217   5.588
   28    HE3  LYS   4           HE1      LYS   4 116.249  -0.519   4.192
   29    HZ1  LYS   4           HZ1      LYS   4 117.595   0.196   6.321
   30    HZ2  LYS   4           HZ2      LYS   4 117.639   1.686   5.524
   31    HZ3  LYS   4           HZ3      LYS   4 118.269   0.307   4.773
   32    H    GLY   5           HN       GLY   5 112.192   1.127  -1.403
   33    HA2  GLY   5           HA2      GLY   5 112.470   3.855  -2.226
   34    HA3  GLY   5           HA1      GLY   5 113.249   2.758  -3.352
   35    H    ARG   6           HN       ARG   6 111.967   1.286  -4.553
   36    HA   ARG   6           HA       ARG   6 109.446   2.305  -5.334
   37    HB2  ARG   6           HB2      ARG   6 111.148  -0.016  -6.073
   38    HB3  ARG   6           HB1      ARG   6 109.442  -0.125  -6.475
   39    HG2  ARG   6           HG2      ARG   6 110.527   0.746  -8.372
   40    HG3  ARG   6           HG1      ARG   6 109.680   2.096  -7.622
   41    HD2  ARG   6           HD2      ARG   6 111.593   3.170  -7.080
   42    HD3  ARG   6           HD1      ARG   6 112.462   1.675  -6.739
   43    HE   ARG   6           HE       ARG   6 113.291   1.746  -8.858
   44   HH11  ARG   6          HH11      ARG   6 110.386   3.702  -8.779
   45   HH12  ARG   6          HH12      ARG   6 110.580   4.279 -10.399
   46   HH21  ARG   6          HH21      ARG   6 113.540   2.508 -10.998
   47   HH22  ARG   6          HH22      ARG   6 112.371   3.602 -11.659
   48    H    TRP   7           HN       TRP   7 108.028   2.322  -3.603
   49    HA   TRP   7           HA       TRP   7 107.049  -0.322  -2.757
   50    HB2  TRP   7           HB2      TRP   7 107.547   2.127  -1.075
   51    HB3  TRP   7           HB1      TRP   7 106.412   0.880  -0.568
   52    HD1  TRP   7           HD1      TRP   7 110.124   1.601  -0.879
   53    HE1  TRP   7           HE1      TRP   7 111.450  -0.293   0.260
   54    HE3  TRP   7           HE3      TRP   7 106.298  -1.681  -0.044
   55    HZ2  TRP   7           HZ2      TRP   7 110.936  -2.841   1.368
   56    HZ3  TRP   7           HZ3      TRP   7 106.796  -3.822   1.059
   57    HH2  TRP   7           HH2      TRP   7 109.068  -4.390   1.749
   58    H    VAL   8           HN       VAL   8 104.811  -0.513  -2.428
   59    HA   VAL   8           HA       VAL   8 103.196   1.719  -3.488
   60    HB   VAL   8           HB       VAL   8 102.259  -1.121  -3.671
   61   HG11  VAL   8          HG11      VAL   8 100.525   0.174  -4.350
   62   HG12  VAL   8          HG12      VAL   8 101.381   0.077  -5.888
   63   HG13  VAL   8          HG13      VAL   8 101.568   1.500  -4.864
   64   HG21  VAL   8          HG21      VAL   8 104.421  -1.262  -4.691
   65   HG22  VAL   8          HG22      VAL   8 104.148   0.228  -5.594
   66   HG23  VAL   8          HG23      VAL   8 103.213  -1.218  -5.975
   67    H    GLU   9           HN       GLU   9 101.616   2.472  -2.199
   68    HA   GLU   9           HA       GLU   9 101.173   1.133   0.349
   69    HB2  GLU   9           HB2      GLU   9 101.609   3.585   0.267
   70    HB3  GLU   9           HB1      GLU   9 100.091   3.795  -0.596
   71    HG2  GLU   9           HG2      GLU   9  99.731   2.279   1.841
   72    HG3  GLU   9           HG1      GLU   9 100.480   3.841   2.151
   73    H    GLY  10           HN       GLY  10  99.393   0.083   0.923
   74    HA2  GLY  10           HA2      GLY  10  96.991   0.351  -0.758
   75    HA3  GLY  10           HA1      GLY  10  97.633  -1.242  -0.391
   76    H    ILE  11           HN       ILE  11  95.023   0.020   0.262
   77    HA   ILE  11           HA       ILE  11  95.137   0.091   3.195
   78    HB   ILE  11           HB       ILE  11  92.757   0.713   1.445
   79   HG12  ILE  11          HG12      ILE  11  94.558   2.257   0.877
   80   HG13  ILE  11          HG11      ILE  11  93.312   3.096   1.793
   81   HG21  ILE  11          HG21      ILE  11  92.397   2.143   3.688
   82   HG22  ILE  11          HG22      ILE  11  93.300   0.779   4.344
   83   HG23  ILE  11          HG23      ILE  11  91.792   0.500   3.474
   84   HD11  ILE  11          HD11      ILE  11  95.406   3.847   2.592
   85   HD12  ILE  11          HD12      ILE  11  96.012   2.200   2.755
   86   HD13  ILE  11          HD13      ILE  11  94.741   2.782   3.830
   87    H    THR  12           HN       THR  12  94.561  -1.650   4.350
   88    HA   THR  12           HA       THR  12  92.670  -3.567   3.172
   89    HB   THR  12           HB       THR  12  94.209  -5.268   4.574
   90    HG1  THR  12           HG1      THR  12  96.315  -4.729   4.489
   91   HG21  THR  12          HG21      THR  12  94.395  -4.403   1.735
   92   HG22  THR  12          HG22      THR  12  93.844  -5.933   2.418
   93   HG23  THR  12          HG23      THR  12  95.567  -5.556   2.372
   94    H    SER  13           HN       SER  13  91.531  -4.891   4.731
   95    HA   SER  13           HA       SER  13  90.246  -5.140   6.585
   96    HB2  SER  13           HB2      SER  13  92.860  -5.294   7.403
   97    HB3  SER  13           HB1      SER  13  92.222  -4.053   8.481
   98    HG   SER  13           HG       SER  13  90.516  -5.558   8.989
   99    H    GLU  14           HN       GLU  14  90.552  -3.427   9.053
  100    HA   GLU  14           HA       GLU  14  88.646  -1.466   8.402
  101    HB2  GLU  14           HB2      GLU  14  90.296  -2.108  10.793
  102    HB3  GLU  14           HB1      GLU  14  89.555  -0.515  10.723
  103    HG2  GLU  14           HG2      GLU  14  87.930  -1.671  11.808
  104    HG3  GLU  14           HG1      GLU  14  87.402  -1.891  10.140
  105    H    GLY  15           HN       GLY  15  92.092  -1.432   8.166
  106    HA2  GLY  15           HA2      GLY  15  92.441   0.735   6.631
  107    HA3  GLY  15           HA1      GLY  15  92.296   1.460   8.226
  108    H    TYR  16           HN       TYR  16  93.853  -1.568   7.222
  109    HA   TYR  16           HA       TYR  16  96.280  -0.748   8.616
  110    HB2  TYR  16           HB2      TYR  16  95.318  -3.379   7.494
  111    HB3  TYR  16           HB1      TYR  16  96.965  -3.154   8.071
  112    HD1  TYR  16           HD1      TYR  16  93.542  -2.292   9.323
  113    HD2  TYR  16           HD2      TYR  16  97.333  -4.022  10.161
  114    HE1  TYR  16           HE1      TYR  16  92.800  -2.787  11.616
  115    HE2  TYR  16           HE2      TYR  16  96.606  -4.526  12.455
  116    HH   TYR  16           HH       TYR  16  93.594  -4.669  13.442
  117    H    HIS  17           HN       HIS  17  97.557   0.519   7.375
  118    HA   HIS  17           HA       HIS  17  97.640   0.298   4.531
  119    HB2  HIS  17           HB2      HIS  17  99.455   1.813   6.420
  120    HB3  HIS  17           HB1      HIS  17  99.437   1.995   4.670
  121    HD1  HIS  17           HD1      HIS  17  98.851   4.542   5.140
  122    HD2  HIS  17           HD2      HIS  17  95.933   1.803   6.260
  123    HE1  HIS  17           HE1      HIS  17  96.756   5.891   5.484
  124    HE2  HIS  17           HE2      HIS  17  94.983   4.198   6.062
  125    H    TYR  18           HN       TYR  18  98.657  -1.208   3.432
  126    HA   TYR  18           HA       TYR  18 101.071  -2.433   4.582
  127    HB2  TYR  18           HB2      TYR  18 100.573  -4.451   3.429
  128    HB3  TYR  18           HB1      TYR  18  99.072  -3.931   4.182
  129    HD1  TYR  18           HD1      TYR  18  97.251  -2.990   2.787
  130    HD2  TYR  18           HD2      TYR  18 100.788  -4.603   1.058
  131    HE1  TYR  18           HE1      TYR  18  96.112  -3.144   0.615
  132    HE2  TYR  18           HE2      TYR  18  99.661  -4.759  -1.120
  133    HH   TYR  18           HH       TYR  18  96.856  -3.177  -1.858
  134    H    TYR  19           HN       TYR  19 102.853  -2.872   3.193
  135    HA   TYR  19           HA       TYR  19 102.841  -1.276   0.719
  136    HB2  TYR  19           HB2      TYR  19 105.129  -1.572   2.674
  137    HB3  TYR  19           HB1      TYR  19 105.176  -0.664   1.167
  138    HD1  TYR  19           HD1      TYR  19 103.142   1.108   0.981
  139    HD2  TYR  19           HD2      TYR  19 104.847  -0.337   4.601
  140    HE1  TYR  19           HE1      TYR  19 102.335   3.110   2.153
  141    HE2  TYR  19           HE2      TYR  19 104.043   1.663   5.784
  142    HH   TYR  19           HH       TYR  19 102.985   4.417   4.234
  143    H    TYR  20           HN       TYR  20 104.105  -2.020  -1.011
  144    HA   TYR  20           HA       TYR  20 105.170  -4.750  -0.743
  145    HB2  TYR  20           HB2      TYR  20 102.991  -4.990  -1.762
  146    HB3  TYR  20           HB1      TYR  20 103.352  -3.727  -2.933
  147    HD1  TYR  20           HD2      TYR  20 105.012  -4.158  -4.736
  148    HD2  TYR  20           HD1      TYR  20 103.704  -7.241  -2.110
  149    HE1  TYR  20           HE2      TYR  20 105.876  -5.843  -6.299
  150    HE2  TYR  20           HE1      TYR  20 104.567  -8.940  -3.666
  151    HH   TYR  20           HH       TYR  20 105.352  -8.331  -6.810
  152    H    ASP  21           HN       ASP  21 106.981  -5.220  -1.930
  153    HA   ASP  21           HA       ASP  21 108.240  -2.948  -3.325
  154    HB2  ASP  21           HB2      ASP  21 109.299  -4.094  -1.214
  155    HB3  ASP  21           HB1      ASP  21 109.770  -5.343  -2.360
  156    H    LEU  22           HN       LEU  22 108.501  -3.107  -5.438
  157    HA   LEU  22           HA       LEU  22 107.906  -5.600  -6.791
  158    HB2  LEU  22           HB2      LEU  22 108.400  -4.108  -8.859
  159    HB3  LEU  22           HB1      LEU  22 106.924  -3.877  -7.948
  160    HG   LEU  22           HG       LEU  22 109.201  -2.192  -7.103
  161   HD11  LEU  22          HD11      LEU  22 108.868  -0.611  -8.960
  162   HD12  LEU  22          HD12      LEU  22 107.845  -1.798  -9.769
  163   HD13  LEU  22          HD13      LEU  22 109.553  -2.143  -9.498
  164   HD21  LEU  22          HD21      LEU  22 106.361  -1.469  -7.795
  165   HD22  LEU  22          HD22      LEU  22 107.495  -0.572  -6.785
  166   HD23  LEU  22          HD23      LEU  22 106.841  -2.111  -6.224
  167    H    ILE  23           HN       ILE  23 110.708  -3.724  -5.946
  168    HA   ILE  23           HA       ILE  23 112.530  -4.724  -7.846
  169    HB   ILE  23           HB       ILE  23 113.155  -3.887  -5.007
  170   HG12  ILE  23          HG12      ILE  23 113.540  -2.026  -7.294
  171   HG13  ILE  23          HG11      ILE  23 111.884  -2.296  -6.762
  172   HG21  ILE  23          HG21      ILE  23 114.885  -3.998  -7.477
  173   HG22  ILE  23          HG22      ILE  23 114.989  -5.065  -6.078
  174   HG23  ILE  23          HG23      ILE  23 115.377  -3.354  -5.910
  175   HD11  ILE  23          HD11      ILE  23 112.223  -1.285  -4.743
  176   HD12  ILE  23          HD12      ILE  23 113.326  -0.361  -5.762
  177   HD13  ILE  23          HD13      ILE  23 113.949  -1.645  -4.727
  178    H    SER  24           HN       SER  24 111.663  -5.862  -4.590
  179    HA   SER  24           HA       SER  24 113.260  -8.284  -5.016
  180    HB2  SER  24           HB2      SER  24 113.352  -6.833  -2.859
  181    HB3  SER  24           HB1      SER  24 111.834  -7.632  -2.451
  182    HG   SER  24           HG       SER  24 112.858  -9.559  -2.360
  183    H    GLY  25           HN       GLY  25 109.940  -7.208  -4.454
  184    HA2  GLY  25           HA2      GLY  25 108.019  -8.328  -5.217
  185    HA3  GLY  25           HA1      GLY  25 108.981  -9.780  -5.441
  186    H    ALA  26           HN       ALA  26 107.995  -7.643  -2.746
  187    HA   ALA  26           HA       ALA  26 106.798  -9.877  -1.359
  188    HB1  ALA  26           HB1      ALA  26 108.205  -9.581   0.682
  189    HB2  ALA  26           HB2      ALA  26 109.289  -8.572  -0.277
  190    HB3  ALA  26           HB3      ALA  26 109.059 -10.269  -0.700
  191    H    SER  27           HN       SER  27 105.651  -9.260   0.579
  192    HA   SER  27           HA       SER  27 104.813  -6.446   0.508
  193    HB2  SER  27           HB2      SER  27 102.922  -7.840   0.206
  194    HB3  SER  27           HB1      SER  27 103.447  -8.967   1.457
  195    HG   SER  27           HG       SER  27 101.706  -7.422   2.008
  196    H    GLN  28           HN       GLN  28 104.530  -5.267   2.455
  197    HA   GLN  28           HA       GLN  28 105.896  -6.339   4.828
  198    HB2  GLN  28           HB2      GLN  28 107.159  -4.609   3.203
  199    HB3  GLN  28           HB1      GLN  28 106.284  -3.459   4.202
  200    HG2  GLN  28           HG2      GLN  28 107.822  -3.651   5.770
  201    HG3  GLN  28           HG1      GLN  28 107.455  -5.367   5.930
  202   HE21  GLN  28          HE21      GLN  28 109.981  -3.601   5.881
  203   HE22  GLN  28          HE22      GLN  28 111.047  -4.473   4.839
  204    H    TRP  29           HN       TRP  29 105.495  -4.901   6.783
  205    HA   TRP  29           HA       TRP  29 102.810  -3.693   6.673
  206    HB2  TRP  29           HB2      TRP  29 103.914  -5.545   8.787
  207    HB3  TRP  29           HB1      TRP  29 102.434  -4.612   8.977
  208    HD1  TRP  29           HD1      TRP  29 103.663  -7.874   7.730
  209    HE1  TRP  29           HE1      TRP  29 101.789  -9.134   6.497
  210    HE3  TRP  29           HE3      TRP  29 100.280  -4.066   7.280
  211    HZ2  TRP  29           HZ2      TRP  29  99.217  -8.589   5.470
  212    HZ3  TRP  29           HZ3      TRP  29  98.137  -4.520   6.160
  213    HH2  TRP  29           HH2      TRP  29  97.618  -6.736   5.275
  214    H    GLU  30           HN       GLU  30 105.902  -2.906   7.026
  215    HA   GLU  30           HA       GLU  30 105.326  -0.826   9.021
  216    HB2  GLU  30           HB2      GLU  30 107.517  -2.791   8.964
  217    HB3  GLU  30           HB1      GLU  30 108.043  -1.131   9.208
  218    HG2  GLU  30           HG2      GLU  30 107.641  -1.501  11.363
  219    HG3  GLU  30           HG1      GLU  30 105.938  -1.328  10.941
  220    H    LYS  31           HN       LYS  31 105.770   1.209   8.376
  221    HA   LYS  31           HA       LYS  31 106.556   1.673   5.668
  222    HB2  LYS  31           HB2      LYS  31 104.936   3.043   7.148
  223    HB3  LYS  31           HB1      LYS  31 106.389   3.812   7.770
  224    HG2  LYS  31           HG2      LYS  31 106.964   4.340   5.355
  225    HG3  LYS  31           HG1      LYS  31 105.310   3.860   4.970
  226    HD2  LYS  31           HD2      LYS  31 106.116   6.038   6.901
  227    HD3  LYS  31           HD1      LYS  31 105.494   6.282   5.268
  228    HE2  LYS  31           HE2      LYS  31 103.448   6.327   6.144
  229    HE3  LYS  31           HE1      LYS  31 103.634   4.610   6.489
  230    HZ1  LYS  31           HZ1      LYS  31 103.214   5.326   8.573
  231    HZ2  LYS  31           HZ2      LYS  31 103.790   6.891   8.292
  232    HZ3  LYS  31           HZ3      LYS  31 104.879   5.631   8.589
  233    HA   PRO  32           HA       PRO  32 110.966   1.706   6.363
  234    HB2  PRO  32           HB2      PRO  32 111.021   3.182   3.796
  235    HB3  PRO  32           HB1      PRO  32 111.813   1.666   4.236
  236    HG2  PRO  32           HG2      PRO  32 109.709   1.699   2.596
  237    HG3  PRO  32           HG1      PRO  32 109.927   0.399   3.785
  238    HD2  PRO  32           HD2      PRO  32 108.113   2.782   3.890
  239    HD3  PRO  32           HD1      PRO  32 107.797   1.104   4.378
  240    H    GLU  33           HN       GLU  33 112.768   3.494   5.817
  241    HA   GLU  33           HA       GLU  33 111.976   5.828   7.356
  242    HB2  GLU  33           HB2      GLU  33 114.277   4.315   7.271
  243    HB3  GLU  33           HB1      GLU  33 114.733   5.754   6.371
  244    HG2  GLU  33           HG2      GLU  33 114.884   6.975   8.214
  245    HG3  GLU  33           HG1      GLU  33 113.316   6.425   8.801
  246    H    GLY  34           HN       GLY  34 110.882   5.684   4.694
  247    HA2  GLY  34           HA2      GLY  34 111.025   8.229   3.794
  248    HA3  GLY  34           HA1      GLY  34 112.409   7.475   3.020
  249    H    PHE  35           HN       PHE  35 108.899   7.046   3.478
  250    HA   PHE  35           HA       PHE  35 108.745   5.494   1.022
  251    HB2  PHE  35           HB2      PHE  35 107.413   4.720   2.898
  252    HB3  PHE  35           HB1      PHE  35 106.627   6.288   3.034
  253    HD1  PHE  35           HD2      PHE  35 107.298   4.076   0.103
  254    HD2  PHE  35           HD1      PHE  35 104.400   6.040   2.525
  255    HE1  PHE  35           HE2      PHE  35 105.519   3.320  -1.417
  256    HE2  PHE  35           HE1      PHE  35 102.617   5.286   1.007
  257    HZ   PHE  35           HZ       PHE  35 103.177   3.926  -0.968
  258    H    GLN  36           HN       GLN  36 106.703   8.181   2.212
  259    HA   GLN  36           HA       GLN  36 107.172   9.678  -0.236
  260    HB2  GLN  36           HB2      GLN  36 104.532   8.436   0.477
  261    HB3  GLN  36           HB1      GLN  36 104.587   9.936  -0.438
  262    HG2  GLN  36           HG2      GLN  36 106.220   8.619  -1.976
  263    HG3  GLN  36           HG1      GLN  36 105.484   7.204  -1.225
  264   HE21  GLN  36          HE21      GLN  36 104.488  10.303  -2.661
  265   HE22  GLN  36          HE22      GLN  36 103.156   9.655  -3.549
  266    H    GLY  37           HN       GLY  37 107.895  10.221   2.431
  267    HA2  GLY  37           HA2      GLY  37 105.985  12.107   3.525
  268    HA3  GLY  37           HA1      GLY  37 107.567  11.719   4.186
  269    H    ASP  38           HN       ASP  38 105.772  13.743   2.000
  270    HA   ASP  38           HA       ASP  38 108.114  15.146   1.045
  271    HB2  ASP  38           HB2      ASP  38 106.505  16.567  -0.172
  272    HB3  ASP  38           HB1      ASP  38 106.229  14.858  -0.470
  273    H    LEU  39           HN       LEU  39 109.003  15.876   3.033
  274    HA   LEU  39           HA       LEU  39 107.928  18.433   3.866
  275    HB2  LEU  39           HB2      LEU  39 107.857  16.019   5.588
  276    HB3  LEU  39           HB1      LEU  39 108.406  17.498   6.349
  277    HG   LEU  39           HG       LEU  39 105.751  17.164   4.946
  278   HD11  LEU  39          HD11      LEU  39 104.737  16.847   6.990
  279   HD12  LEU  39          HD12      LEU  39 106.083  17.547   7.889
  280   HD13  LEU  39          HD13      LEU  39 106.230  15.933   7.192
  281   HD21  LEU  39          HD21      LEU  39 106.177  19.424   4.793
  282   HD22  LEU  39          HD22      LEU  39 107.117  19.458   6.286
  283   HD23  LEU  39          HD23      LEU  39 105.359  19.327   6.353
  284    H    LYS  40           HN       LYS  40 110.054  18.576   2.535
  285    HA   LYS  40           HA       LYS  40 112.241  19.187   2.434
  286    HB2  LYS  40           HB2      LYS  40 111.248  20.341   4.715
  287    HB3  LYS  40           HB1      LYS  40 112.645  19.473   5.333
  288    HG2  LYS  40           HG2      LYS  40 114.082  20.922   4.435
  289    HG3  LYS  40           HG1      LYS  40 113.218  20.966   2.897
  290    HD2  LYS  40           HD2      LYS  40 112.155  22.864   3.433
  291    HD3  LYS  40           HD1      LYS  40 111.762  22.283   5.052
  292    HE2  LYS  40           HE2      LYS  40 114.062  22.829   5.769
  293    HE3  LYS  40           HE1      LYS  40 114.386  23.480   4.163
  294    HZ1  LYS  40           HZ1      LYS  40 113.739  25.118   5.965
  295    HZ2  LYS  40           HZ2      LYS  40 112.170  24.501   5.838
  296    HZ3  LYS  40           HZ3      LYS  40 112.899  25.234   4.501
  297    H    LYS  41           HN       LYS  41 113.047  17.176   1.765
  298    HA   LYS  41           HA       LYS  41 114.652  15.808   3.795
  299    HB2  LYS  41           HB2      LYS  41 112.302  14.688   2.976
  300    HB3  LYS  41           HB1      LYS  41 113.430  13.986   1.826
  301    HG2  LYS  41           HG2      LYS  41 114.139  12.537   3.339
  302    HG3  LYS  41           HG1      LYS  41 114.546  13.843   4.454
  303    HD2  LYS  41           HD2      LYS  41 112.008  13.892   4.949
  304    HD3  LYS  41           HD1      LYS  41 111.996  12.287   4.214
  305    HE2  LYS  41           HE2      LYS  41 114.096  12.740   6.229
  306    HE3  LYS  41           HE1      LYS  41 112.443  12.766   6.844
  307    HZ1  LYS  41           HZ1      LYS  41 112.836  10.555   6.975
  308    HZ2  LYS  41           HZ2      LYS  41 113.975  10.548   5.724
  309    HZ3  LYS  41           HZ3      LYS  41 112.323  10.586   5.363
  310    H    THR  42           HN       THR  42 116.580  16.521   2.990
  311    HA   THR  42           HA       THR  42 117.184  15.983   0.161
  312    HB   THR  42           HB       THR  42 118.933  17.573   2.027
  313    HG1  THR  42           HG1      THR  42 117.541  19.123   2.041
  314   HG21  THR  42          HG21      THR  42 118.471  18.151  -0.861
  315   HG22  THR  42          HG22      THR  42 119.595  16.881  -0.377
  316   HG23  THR  42          HG23      THR  42 119.856  18.541   0.157
  317    H    ALA  43           HN       ALA  43 117.151  14.006   2.435
  318    HA   ALA  43           HA       ALA  43 119.961  13.250   2.638
  319    HB1  ALA  43           HB1      ALA  43 118.725  11.326   4.016
  320    HB2  ALA  43           HB2      ALA  43 117.480  12.571   4.103
  321    HB3  ALA  43           HB3      ALA  43 119.102  12.903   4.710
  322    H    VAL  44           HN       VAL  44 120.838  11.443   1.724
  323    HA   VAL  44           HA       VAL  44 119.250  10.152  -0.364
  324    HB   VAL  44           HB       VAL  44 121.423  11.147  -0.986
  325   HG11  VAL  44          HG11      VAL  44 122.355   9.526   1.254
  326   HG12  VAL  44          HG12      VAL  44 123.070  10.952   0.507
  327   HG13  VAL  44          HG13      VAL  44 123.342   9.359  -0.198
  328   HG21  VAL  44          HG21      VAL  44 122.300   9.184  -2.219
  329   HG22  VAL  44          HG22      VAL  44 120.552   9.374  -2.356
  330   HG23  VAL  44          HG23      VAL  44 121.225   8.153  -1.276
  331    H    LYS  45           HN       LYS  45 119.041   7.915  -0.561
  332    HA   LYS  45           HA       LYS  45 119.389   6.437   1.943
  333    HB2  LYS  45           HB2      LYS  45 117.257   6.607   0.237
  334    HB3  LYS  45           HB1      LYS  45 118.008   5.110  -0.295
  335    HG2  LYS  45           HG2      LYS  45 116.763   4.169   1.301
  336    HG3  LYS  45           HG1      LYS  45 118.005   4.769   2.402
  337    HD2  LYS  45           HD2      LYS  45 116.707   6.735   2.884
  338    HD3  LYS  45           HD1      LYS  45 115.525   6.313   1.643
  339    HE2  LYS  45           HE2      LYS  45 114.579   5.727   3.746
  340    HE3  LYS  45           HE1      LYS  45 115.038   4.227   2.944
  341    HZ1  LYS  45           HZ1      LYS  45 116.614   5.602   5.056
  342    HZ2  LYS  45           HZ2      LYS  45 117.035   4.150   4.299
  343    HZ3  LYS  45           HZ3      LYS  45 115.662   4.223   5.281
  344    H    THR  46           HN       THR  46 121.731   6.930   0.369
  345    HA   THR  46           HA       THR  46 122.495   4.157  -0.208
  346    HB   THR  46           HB       THR  46 123.808   4.935  -2.181
  347    HG1  THR  46           HG1      THR  46 123.646   6.959  -2.894
  348   HG21  THR  46          HG21      THR  46 120.837   5.340  -2.250
  349   HG22  THR  46          HG22      THR  46 121.765   3.934  -2.769
  350   HG23  THR  46          HG23      THR  46 121.851   5.435  -3.690
  351    H    VAL  47           HN       VAL  47 123.529   4.191   1.832
  352    HA   VAL  47           HA       VAL  47 125.583   6.128   2.399
  353    HB   VAL  47           HB       VAL  47 124.209   5.134   4.194
  354   HG11  VAL  47          HG11      VAL  47 124.643   2.853   4.958
  355   HG12  VAL  47          HG12      VAL  47 125.719   2.594   3.585
  356   HG13  VAL  47          HG13      VAL  47 123.998   2.872   3.319
  357   HG21  VAL  47          HG21      VAL  47 126.009   5.970   5.249
  358   HG22  VAL  47          HG22      VAL  47 127.148   5.156   4.179
  359   HG23  VAL  47          HG23      VAL  47 126.406   4.273   5.511
  360    H    TRP  48           HN       TRP  48 125.431   2.874   1.106
  361    HA   TRP  48           HA       TRP  48 128.278   2.440   1.303
  362    HB2  TRP  48           HB2      TRP  48 126.158   0.870  -0.176
  363    HB3  TRP  48           HB1      TRP  48 127.820   0.357   0.070
  364    HD1  TRP  48           HD1      TRP  48 124.506   0.764   1.937
  365    HE1  TRP  48           HE1      TRP  48 124.638  -0.549   4.147
  366    HE3  TRP  48           HE3      TRP  48 129.454  -0.520   1.824
  367    HZ2  TRP  48           HZ2      TRP  48 126.583  -1.948   5.642
  368    HZ3  TRP  48           HZ3      TRP  48 130.371  -1.847   3.682
  369    HH2  TRP  48           HH2      TRP  48 128.963  -2.545   5.551
  370    H    VAL  49           HN       VAL  49 129.779   2.622  -0.293
  371    HA   VAL  49           HA       VAL  49 128.881   3.813  -2.836
  372    HB   VAL  49           HB       VAL  49 130.196   5.370  -1.442
  373   HG11  VAL  49          HG11      VAL  49 132.608   4.960  -1.117
  374   HG12  VAL  49          HG12      VAL  49 132.392   3.327  -1.744
  375   HG13  VAL  49          HG13      VAL  49 131.594   3.808  -0.247
  376   HG21  VAL  49          HG21      VAL  49 130.491   6.065  -3.575
  377   HG22  VAL  49          HG22      VAL  49 131.035   4.484  -4.132
  378   HG23  VAL  49          HG23      VAL  49 132.152   5.549  -3.281
  379    H    GLU  50           HN       GLU  50 129.517   2.891  -4.719
  380    HA   GLU  50           HA       GLU  50 130.977   0.370  -4.536
  381    HB2  GLU  50           HB2      GLU  50 128.841   0.401  -5.750
  382    HB3  GLU  50           HB1      GLU  50 129.480   1.609  -6.856
  383    HG2  GLU  50           HG2      GLU  50 131.299  -0.532  -6.880
  384    HG3  GLU  50           HG1      GLU  50 129.690  -1.242  -6.960
  385    H    GLY  51           HN       GLY  51 133.066   0.227  -5.003
  386    HA2  GLY  51           HA2      GLY  51 134.266   2.315  -6.716
  387    HA3  GLY  51           HA1      GLY  51 135.098   1.599  -5.346
  388    H    LEU  52           HN       LEU  52 136.138   1.698  -7.977
  389    HA   LEU  52           HA       LEU  52 135.983  -1.111  -8.838
  390    HB2  LEU  52           HB2      LEU  52 135.414   0.619 -10.522
  391    HB3  LEU  52           HB1      LEU  52 137.033   1.273 -10.365
  392    HG   LEU  52           HG       LEU  52 137.656  -1.271 -10.974
  393   HD11  LEU  52          HD11      LEU  52 135.383  -2.039 -11.173
  394   HD12  LEU  52          HD12      LEU  52 136.134  -2.026 -12.768
  395   HD13  LEU  52          HD13      LEU  52 135.008  -0.748 -12.314
  396   HD21  LEU  52          HD21      LEU  52 138.474   0.721 -12.113
  397   HD22  LEU  52          HD22      LEU  52 136.933   0.885 -12.956
  398   HD23  LEU  52          HD23      LEU  52 137.970  -0.506 -13.274
  399    H    SER  53           HN       SER  53 137.751  -2.392  -8.852
  400    HA   SER  53           HA       SER  53 140.330  -1.203  -8.073
  401    HB2  SER  53           HB2      SER  53 139.333  -2.357  -6.151
  402    HB3  SER  53           HB1      SER  53 139.166  -3.826  -7.110
  403    HG   SER  53           HG       SER  53 141.271  -4.184  -6.969
  404    H    GLU  54           HN       GLU  54 142.214  -2.282  -8.828
  405    HA   GLU  54           HA       GLU  54 142.290  -3.010 -11.456
  406    HB2  GLU  54           HB2      GLU  54 144.130  -2.958  -9.313
  407    HB3  GLU  54           HB1      GLU  54 144.291  -4.538 -10.070
  408    HG2  GLU  54           HG2      GLU  54 144.371  -1.960 -11.615
  409    HG3  GLU  54           HG1      GLU  54 145.804  -2.741 -10.948
  410    H    ASP  55           HN       ASP  55 142.537  -4.964 -12.602
  411    HA   ASP  55           HA       ASP  55 142.076  -7.091 -13.212
  412    HB2  ASP  55           HB2      ASP  55 142.570  -7.395 -10.302
  413    HB3  ASP  55           HB1      ASP  55 141.753  -8.726 -11.112
  414    H    GLY  56           HN       GLY  56 139.906  -5.071 -12.092
  415    HA2  GLY  56           HA2      GLY  56 137.613  -5.028 -12.301
  416    HA3  GLY  56           HA1      GLY  56 137.691  -6.676 -12.898
  417    H    PHE  57           HN       PHE  57 138.149  -4.907  -9.826
  418    HA   PHE  57           HA       PHE  57 136.496  -6.968  -8.520
  419    HB2  PHE  57           HB2      PHE  57 138.981  -5.672  -7.374
  420    HB3  PHE  57           HB1      PHE  57 137.906  -6.750  -6.494
  421    HD1  PHE  57           HD2      PHE  57 137.403  -8.970  -8.163
  422    HD2  PHE  57           HD1      PHE  57 140.970  -6.672  -7.844
  423    HE1  PHE  57           HE2      PHE  57 138.711 -10.896  -8.961
  424    HE2  PHE  57           HE1      PHE  57 142.284  -8.587  -8.643
  425    HZ   PHE  57           HZ       PHE  57 141.156 -10.706  -9.202
  426    H    THR  58           HN       THR  58 134.633  -5.942  -8.106
  427    HA   THR  58           HA       THR  58 134.545  -3.132  -7.498
  428    HB   THR  58           HB       THR  58 132.172  -4.868  -7.021
  429    HG1  THR  58           HG1      THR  58 133.168  -4.332  -9.624
  430   HG21  THR  58          HG21      THR  58 131.947  -2.451  -6.883
  431   HG22  THR  58          HG22      THR  58 130.994  -3.116  -8.210
  432   HG23  THR  58          HG23      THR  58 132.521  -2.298  -8.544
  433    H    TYR  59           HN       TYR  59 134.851  -2.273  -5.571
  434    HA   TYR  59           HA       TYR  59 134.376  -3.926  -3.183
  435    HB2  TYR  59           HB2      TYR  59 136.127  -2.782  -2.056
  436    HB3  TYR  59           HB1      TYR  59 136.755  -3.204  -3.643
  437    HD1  TYR  59           HD2      TYR  59 137.142  -1.465  -5.330
  438    HD2  TYR  59           HD1      TYR  59 135.789  -0.489  -1.417
  439    HE1  TYR  59           HE2      TYR  59 137.762   0.881  -5.710
  440    HE2  TYR  59           HE1      TYR  59 136.404   1.859  -1.779
  441    HH   TYR  59           HH       TYR  59 138.410   2.894  -4.138
  442    H    TYR  60           HN       TYR  60 133.299  -3.037  -1.414
  443    HA   TYR  60           HA       TYR  60 131.912  -0.490  -1.954
  444    HB2  TYR  60           HB2      TYR  60 130.749  -2.745  -0.322
  445    HB3  TYR  60           HB1      TYR  60 129.918  -1.344  -0.988
  446    HD1  TYR  60           HD1      TYR  60 129.597  -1.197  -3.488
  447    HD2  TYR  60           HD2      TYR  60 130.968  -4.743  -1.575
  448    HE1  TYR  60           HE1      TYR  60 128.996  -2.500  -5.485
  449    HE2  TYR  60           HE2      TYR  60 130.370  -6.055  -3.566
  450    HH   TYR  60           HH       TYR  60 128.378  -4.970  -5.962
  451    H    TYR  61           HN       TYR  61 131.711   0.973  -0.298
  452    HA   TYR  61           HA       TYR  61 132.980   0.277   2.270
  453    HB2  TYR  61           HB2      TYR  61 134.576   1.576   0.989
  454    HB3  TYR  61           HB1      TYR  61 133.359   2.792   0.631
  455    HD1  TYR  61           HD2      TYR  61 135.210   1.247   3.477
  456    HD2  TYR  61           HD1      TYR  61 133.152   4.668   1.999
  457    HE1  TYR  61           HE2      TYR  61 135.911   2.521   5.459
  458    HE2  TYR  61           HE1      TYR  61 133.851   5.949   3.977
  459    HH   TYR  61           HH       TYR  61 134.576   5.519   6.295
  460    H    ASN  62           HN       ASN  62 132.228   1.466   4.110
  461    HA   ASN  62           HA       ASN  62 129.551   2.639   3.720
  462    HB2  ASN  62           HB2      ASN  62 129.606   0.493   4.989
  463    HB3  ASN  62           HB1      ASN  62 130.624   1.268   6.195
  464   HD21  ASN  62          HD21      ASN  62 127.471   1.483   4.612
  465   HD22  ASN  62          HD22      ASN  62 126.647   2.174   5.963
  466    H    THR  63           HN       THR  63 129.135   4.636   4.481
  467    HA   THR  63           HA       THR  63 131.364   6.160   5.562
  468    HB   THR  63           HB       THR  63 130.034   8.122   5.094
  469    HG1  THR  63           HG1      THR  63 127.985   7.666   5.568
  470   HG21  THR  63          HG21      THR  63 129.155   7.029   2.651
  471   HG22  THR  63          HG22      THR  63 130.666   6.225   3.075
  472   HG23  THR  63          HG23      THR  63 130.603   7.984   2.968
  473    H    GLU  64           HN       GLU  64 128.274   4.886   6.616
  474    HA   GLU  64           HA       GLU  64 127.850   6.469   8.880
  475    HB2  GLU  64           HB2      GLU  64 126.224   4.844   7.873
  476    HB3  GLU  64           HB1      GLU  64 127.151   3.540   8.603
  477    HG2  GLU  64           HG2      GLU  64 126.695   4.451  10.818
  478    HG3  GLU  64           HG1      GLU  64 125.770   5.763  10.089
  479    H    THR  65           HN       THR  65 129.291   3.187   8.797
  480    HA   THR  65           HA       THR  65 130.457   3.653  11.431
  481    HB   THR  65           HB       THR  65 129.412   1.514  11.184
  482    HG1  THR  65           HG1      THR  65 132.181   0.989  10.940
  483   HG21  THR  65          HG21      THR  65 131.026   1.248   8.685
  484   HG22  THR  65          HG22      THR  65 129.299   0.991   8.937
  485   HG23  THR  65          HG23      THR  65 130.465  -0.172   9.568
  486    H    GLY  66           HN       GLY  66 131.479   3.191   8.081
  487    HA2  GLY  66           HA2      GLY  66 133.452   4.091   7.165
  488    HA3  GLY  66           HA1      GLY  66 134.098   4.271   8.786
  489    H    GLU  67           HN       GLU  67 132.816   1.458   7.001
  490    HA   GLU  67           HA       GLU  67 135.439   0.163   7.337
  491    HB2  GLU  67           HB2      GLU  67 133.673  -0.603   9.005
  492    HB3  GLU  67           HB1      GLU  67 132.819  -1.301   7.637
  493    HG2  GLU  67           HG2      GLU  67 134.799  -2.689   7.147
  494    HG3  GLU  67           HG1      GLU  67 135.585  -2.028   8.581
  495    H    SER  68           HN       SER  68 136.197  -0.927   5.608
  496    HA   SER  68           HA       SER  68 134.684  -0.740   3.138
  497    HB2  SER  68           HB2      SER  68 137.313  -2.086   3.079
  498    HB3  SER  68           HB1      SER  68 136.678  -0.799   2.055
  499    HG   SER  68           HG       SER  68 138.186  -0.645   4.355
  500    H    ARG  69           HN       ARG  69 134.071  -2.467   1.847
  501    HA   ARG  69           HA       ARG  69 134.363  -5.164   2.979
  502    HB2  ARG  69           HB2      ARG  69 132.132  -4.126   3.572
  503    HB3  ARG  69           HB1      ARG  69 131.762  -4.120   1.854
  504    HG2  ARG  69           HG2      ARG  69 131.418  -6.352   1.777
  505    HG3  ARG  69           HG1      ARG  69 132.631  -6.697   3.011
  506    HD2  ARG  69           HD2      ARG  69 130.582  -5.223   4.267
  507    HD3  ARG  69           HD1      ARG  69 129.790  -6.450   3.279
  508    HE   ARG  69           HE       ARG  69 131.740  -7.821   4.587
  509   HH11  ARG  69          HH11      ARG  69 129.115  -5.747   5.622
  510   HH12  ARG  69          HH12      ARG  69 128.917  -6.551   7.142
  511   HH21  ARG  69          HH21      ARG  69 131.472  -8.876   6.594
  512   HH22  ARG  69          HH22      ARG  69 130.253  -8.324   7.693
  513    H    TRP  70           HN       TRP  70 134.485  -6.828   1.482
  514    HA   TRP  70           HA       TRP  70 134.433  -6.036  -1.357
  515    HB2  TRP  70           HB2      TRP  70 136.475  -7.749   0.071
  516    HB3  TRP  70           HB1      TRP  70 136.336  -7.676  -1.682
  517    HD1  TRP  70           HD1      TRP  70 137.002  -5.268   1.284
  518    HE1  TRP  70           HE1      TRP  70 138.567  -3.401   0.460
  519    HE3  TRP  70           HE3      TRP  70 137.329  -6.590  -3.649
  520    HZ2  TRP  70           HZ2      TRP  70 139.780  -2.592  -1.954
  521    HZ3  TRP  70           HZ3      TRP  70 138.715  -5.214  -5.146
  522    HH2  TRP  70           HH2      TRP  70 139.914  -3.257  -4.314
  523    H    GLU  71           HN       GLU  71 132.530  -7.524   0.541
  524    HA   GLU  71           HA       GLU  71 132.021  -9.767  -1.274
  525    HB2  GLU  71           HB2      GLU  71 132.134  -9.895   1.728
  526    HB3  GLU  71           HB1      GLU  71 131.316 -11.111   0.758
  527    HG2  GLU  71           HG2      GLU  71 133.231 -12.069   0.101
  528    HG3  GLU  71           HG1      GLU  71 134.068 -10.526  -0.062
  529    H    LYS  72           HN       LYS  72 130.852  -7.024  -0.519
  530    HA   LYS  72           HA       LYS  72 128.798  -6.046  -0.641
  531    HB2  LYS  72           HB2      LYS  72 128.367  -8.078  -2.180
  532    HB3  LYS  72           HB1      LYS  72 127.500  -8.752  -0.808
  533    HG2  LYS  72           HG2      LYS  72 125.985  -6.853  -0.801
  534    HG3  LYS  72           HG1      LYS  72 126.882  -6.116  -2.129
  535    HD2  LYS  72           HD2      LYS  72 125.456  -7.154  -3.500
  536    HD3  LYS  72           HD1      LYS  72 126.286  -8.650  -3.069
  537    HE2  LYS  72           HE2      LYS  72 124.254  -9.343  -2.407
  538    HE3  LYS  72           HE1      LYS  72 124.569  -8.366  -0.975
  539    HZ1  LYS  72           HZ1      LYS  72 122.945  -6.967  -1.520
  540    HZ2  LYS  72           HZ2      LYS  72 122.457  -8.091  -2.685
  541    HZ3  LYS  72           HZ3      LYS  72 123.478  -6.814  -3.119
  542    HA   PRO  73           HA       PRO  73 127.654  -6.198   3.647
  543    HB2  PRO  73           HB2      PRO  73 125.588  -4.439   3.601
  544    HB3  PRO  73           HB1      PRO  73 127.280  -3.939   3.498
  545    HG2  PRO  73           HG2      PRO  73 125.269  -4.282   1.306
  546    HG3  PRO  73           HG1      PRO  73 126.457  -2.986   1.543
  547    HD2  PRO  73           HD2      PRO  73 126.846  -5.026  -0.194
  548    HD3  PRO  73           HD1      PRO  73 128.181  -4.236   0.668
  549    H    ASP  74           HN       ASP  74 126.097  -7.085   5.018
  550    HA   ASP  74           HA       ASP  74 123.755  -8.305   3.713
  551    HB2  ASP  74           HB2      ASP  74 125.860  -9.557   5.409
  552    HB3  ASP  74           HB1      ASP  74 124.205 -10.123   5.609
  553    H    ASP  75           HN       ASP  75 122.082  -9.029   5.340
  554    HA   ASP  75           HA       ASP  75 121.969  -7.183   7.633
  555    HB2  ASP  75           HB2      ASP  75 120.457  -6.751   5.481
  556    HB3  ASP  75           HB1      ASP  75 119.432  -7.948   6.265
  Start of MODEL   20
    1    H1   ASP   1           HT1      ASP   1 108.140   8.396 -17.376
    2    H2   ASP   1           HT2      ASP   1 106.765   8.340 -18.402
    3    H3   ASP   1           HT3      ASP   1 107.544   6.886 -17.928
    4    HA   ASP   1           HA       ASP   1 106.280   8.761 -16.050
    5    HB2  ASP   1           HB2      ASP   1 104.820   7.564 -17.888
    6    HB3  ASP   1           HB1      ASP   1 105.072   6.143 -16.881
    7    HA   PRO   2           HA       PRO   2 109.221   6.125 -13.689
    8    HB2  PRO   2           HB2      PRO   2 108.203   8.013 -11.620
    9    HB3  PRO   2           HB1      PRO   2 109.862   7.510 -11.965
   10    HG2  PRO   2           HG2      PRO   2 109.002   9.911 -12.708
   11    HG3  PRO   2           HG1      PRO   2 110.067   8.964 -13.763
   12    HD2  PRO   2           HD2      PRO   2 107.126   9.440 -13.974
   13    HD3  PRO   2           HD1      PRO   2 108.345   9.314 -15.258
   14    H    SER   3           HN       SER   3 108.465   4.196 -13.089
   15    HA   SER   3           HA       SER   3 105.808   3.890 -11.992
   16    HB2  SER   3           HB2      SER   3 106.670   2.244 -13.603
   17    HB3  SER   3           HB1      SER   3 107.976   1.835 -12.491
   18    HG   SER   3           HG       SER   3 105.681   0.684 -12.586
   19    H    LYS   4           HN       LYS   4 106.129   5.107 -10.028
   20    HA   LYS   4           HA       LYS   4 107.641   3.616  -7.987
   21    HB2  LYS   4           HB2      LYS   4 107.765   5.797  -6.744
   22    HB3  LYS   4           HB1      LYS   4 108.685   5.743  -8.240
   23    HG2  LYS   4           HG2      LYS   4 106.873   6.961  -9.376
   24    HG3  LYS   4           HG1      LYS   4 106.000   7.052  -7.846
   25    HD2  LYS   4           HD2      LYS   4 107.102   9.120  -8.053
   26    HD3  LYS   4           HD1      LYS   4 108.074   8.192  -6.910
   27    HE2  LYS   4           HE2      LYS   4 108.823   7.885  -9.739
   28    HE3  LYS   4           HE1      LYS   4 109.069   9.497  -9.071
   29    HZ1  LYS   4           HZ1      LYS   4 110.713   8.785  -7.722
   30    HZ2  LYS   4           HZ2      LYS   4 110.862   7.560  -8.877
   31    HZ3  LYS   4           HZ3      LYS   4 110.009   7.271  -7.445
   32    H    GLY   5           HN       GLY   5 106.339   2.510  -6.699
   33    HA2  GLY   5           HA2      GLY   5 103.546   3.067  -6.477
   34    HA3  GLY   5           HA1      GLY   5 104.437   1.847  -5.582
   35    H    ARG   6           HN       ARG   6 102.431   3.242  -4.357
   36    HA   ARG   6           HA       ARG   6 103.792   5.246  -2.695
   37    HB2  ARG   6           HB2      ARG   6 100.833   4.661  -2.930
   38    HB3  ARG   6           HB1      ARG   6 101.557   5.957  -1.988
   39    HG2  ARG   6           HG2      ARG   6 102.583   6.385  -4.500
   40    HG3  ARG   6           HG1      ARG   6 100.942   5.826  -4.829
   41    HD2  ARG   6           HD2      ARG   6 100.430   7.555  -2.844
   42    HD3  ARG   6           HD1      ARG   6 101.885   8.299  -3.504
   43    HE   ARG   6           HE       ARG   6  99.286   8.200  -4.718
   44   HH11  ARG   6          HH11      ARG   6 102.718   8.494  -5.344
   45   HH12  ARG   6          HH12      ARG   6 102.499   9.317  -6.851
   46   HH21  ARG   6          HH21      ARG   6  99.002   9.281  -6.710
   47   HH22  ARG   6          HH22      ARG   6 100.390   9.764  -7.627
   48    H    TRP   7           HN       TRP   7 104.948   3.541  -1.590
   49    HA   TRP   7           HA       TRP   7 103.302   2.024   0.323
   50    HB2  TRP   7           HB2      TRP   7 106.085   1.531  -0.748
   51    HB3  TRP   7           HB1      TRP   7 105.408   0.642   0.613
   52    HD1  TRP   7           HD1      TRP   7 105.119   0.996  -3.177
   53    HE1  TRP   7           HE1      TRP   7 103.741  -0.976  -4.091
   54    HE3  TRP   7           HE3      TRP   7 103.570  -1.033   1.252
   55    HZ2  TRP   7           HZ2      TRP   7 102.201  -3.111  -3.068
   56    HZ3  TRP   7           HZ3      TRP   7 102.147  -3.038   1.197
   57    HH2  TRP   7           HH2      TRP   7 101.477  -4.054  -0.920
   58    H    VAL   8           HN       VAL   8 103.680   2.177   2.502
   59    HA   VAL   8           HA       VAL   8 105.563   4.283   3.345
   60    HB   VAL   8           HB       VAL   8 103.194   4.872   3.705
   61   HG11  VAL   8          HG11      VAL   8 101.678   3.573   4.748
   62   HG12  VAL   8          HG12      VAL   8 102.847   2.959   5.917
   63   HG13  VAL   8          HG13      VAL   8 102.777   2.271   4.295
   64   HG21  VAL   8          HG21      VAL   8 105.170   4.641   5.883
   65   HG22  VAL   8          HG22      VAL   8 103.514   4.992   6.376
   66   HG23  VAL   8          HG23      VAL   8 104.342   6.060   5.243
   67    H    GLU   9           HN       GLU   9 107.049   3.829   4.895
   68    HA   GLU   9           HA       GLU   9 107.260   1.051   5.742
   69    HB2  GLU   9           HB2      GLU   9 109.252   2.187   4.823
   70    HB3  GLU   9           HB1      GLU   9 109.189   3.349   6.141
   71    HG2  GLU   9           HG2      GLU   9 109.753   1.717   7.745
   72    HG3  GLU   9           HG1      GLU   9 109.464   0.397   6.614
   73    H    GLY  10           HN       GLY  10 106.846   0.325   7.726
   74    HA2  GLY  10           HA2      GLY  10 106.542   2.287   9.904
   75    HA3  GLY  10           HA1      GLY  10 105.289   1.094   9.599
   76    H    ILE  11           HN       ILE  11 106.970   1.570  11.982
   77    HA   ILE  11           HA       ILE  11 108.570  -0.880  12.113
   78    HB   ILE  11           HB       ILE  11 108.296   1.231  14.251
   79   HG12  ILE  11          HG12      ILE  11 109.145   2.233  12.155
   80   HG13  ILE  11          HG11      ILE  11 110.369   2.208  13.418
   81   HG21  ILE  11          HG21      ILE  11 109.192  -0.666  15.247
   82   HG22  ILE  11          HG22      ILE  11 110.624   0.264  14.802
   83   HG23  ILE  11          HG23      ILE  11 110.118  -1.105  13.811
   84   HD11  ILE  11          HD11      ILE  11 110.329  -0.079  11.545
   85   HD12  ILE  11          HD12      ILE  11 111.689   0.755  12.297
   86   HD13  ILE  11          HD13      ILE  11 110.866   1.479  10.916
   87    H    THR  12           HN       THR  12 108.149  -2.552  13.507
   88    HA   THR  12           HA       THR  12 105.628  -2.418  15.023
   89    HB   THR  12           HB       THR  12 105.747  -5.046  14.481
   90    HG1  THR  12           HG1      THR  12 107.649  -4.631  13.137
   91   HG21  THR  12          HG21      THR  12 104.654  -3.729  12.151
   92   HG22  THR  12          HG22      THR  12 104.129  -2.973  13.654
   93   HG23  THR  12          HG23      THR  12 103.852  -4.694  13.389
   94    H    SER  13           HN       SER  13 105.481  -3.991  16.803
   95    HA   SER  13           HA       SER  13 107.419  -3.759  18.697
   96    HB2  SER  13           HB2      SER  13 105.238  -5.731  18.250
   97    HB3  SER  13           HB1      SER  13 106.453  -6.137  19.464
   98    HG   SER  13           HG       SER  13 104.568  -4.081  19.440
   99    H    GLU  14           HN       GLU  14 109.073  -5.064  19.544
  100    HA   GLU  14           HA       GLU  14 110.754  -6.615  19.567
  101    HB2  GLU  14           HB2      GLU  14 108.963  -8.091  18.354
  102    HB3  GLU  14           HB1      GLU  14 109.929  -7.755  16.924
  103    HG2  GLU  14           HG2      GLU  14 111.462  -9.242  17.504
  104    HG3  GLU  14           HG1      GLU  14 111.597  -8.574  19.128
  105    H    GLY  15           HN       GLY  15 110.098  -5.611  16.190
  106    HA2  GLY  15           HA2      GLY  15 111.806  -3.737  15.598
  107    HA3  GLY  15           HA1      GLY  15 112.963  -5.030  15.880
  108    H    TYR  16           HN       TYR  16 109.807  -4.947  14.228
  109    HA   TYR  16           HA       TYR  16 111.134  -6.074  11.850
  110    HB2  TYR  16           HB2      TYR  16 108.209  -6.344  12.562
  111    HB3  TYR  16           HB1      TYR  16 109.088  -7.205  11.305
  112    HD1  TYR  16           HD1      TYR  16 111.250  -8.519  12.309
  113    HD2  TYR  16           HD2      TYR  16 107.698  -7.552  14.447
  114    HE1  TYR  16           HE1      TYR  16 111.702 -10.353  13.883
  115    HE2  TYR  16           HE2      TYR  16 108.143  -9.382  16.026
  116    HH   TYR  16           HH       TYR  16 109.375 -11.319  16.310
  117    H    HIS  17           HN       HIS  17 110.539  -5.295   9.797
  118    HA   HIS  17           HA       HIS  17 109.265  -2.640   9.868
  119    HB2  HIS  17           HB2      HIS  17 111.297  -3.810   7.963
  120    HB3  HIS  17           HB1      HIS  17 110.470  -2.282   7.679
  121    HD1  HIS  17           HD1      HIS  17 112.610  -0.885   7.828
  122    HD2  HIS  17           HD2      HIS  17 111.845  -3.121  11.247
  123    HE1  HIS  17           HE1      HIS  17 114.204  -0.020   9.568
  124    HE2  HIS  17           HE2      HIS  17 113.777  -1.441  11.606
  125    H    TYR  18           HN       TYR  18 107.267  -2.573   9.132
  126    HA   TYR  18           HA       TYR  18 106.448  -4.497   7.064
  127    HB2  TYR  18           HB2      TYR  18 104.257  -4.495   7.931
  128    HB3  TYR  18           HB1      TYR  18 105.308  -4.586   9.338
  129    HD1  TYR  18           HD1      TYR  18 105.741  -2.442  10.651
  130    HD2  TYR  18           HD2      TYR  18 102.674  -2.782   7.720
  131    HE1  TYR  18           HE1      TYR  18 104.605  -0.488  11.619
  132    HE2  TYR  18           HE2      TYR  18 101.532  -0.829   8.679
  133    HH   TYR  18           HH       TYR  18 101.477   0.303  11.027
  134    H    TYR  19           HN       TYR  19 105.071  -3.792   5.371
  135    HA   TYR  19           HA       TYR  19 105.107  -0.877   4.916
  136    HB2  TYR  19           HB2      TYR  19 105.504  -3.047   2.841
  137    HB3  TYR  19           HB1      TYR  19 105.451  -1.317   2.521
  138    HD1  TYR  19           HD1      TYR  19 107.191   0.083   3.996
  139    HD2  TYR  19           HD2      TYR  19 107.588  -4.034   2.994
  140    HE1  TYR  19           HE1      TYR  19 109.614   0.230   4.374
  141    HE2  TYR  19           HE2      TYR  19 110.014  -3.894   3.371
  142    HH   TYR  19           HH       TYR  19 111.563  -2.351   4.817
  143    H    TYR  20           HN       TYR  20 103.342   0.004   3.768
  144    HA   TYR  20           HA       TYR  20 101.058  -1.792   3.331
  145    HB2  TYR  20           HB2      TYR  20 100.699  -0.828   5.522
  146    HB3  TYR  20           HB1      TYR  20 101.016   0.789   4.906
  147    HD1  TYR  20           HD1      TYR  20  99.354   1.936   3.514
  148    HD2  TYR  20           HD2      TYR  20  98.564  -1.895   5.191
  149    HE1  TYR  20           HE1      TYR  20  96.963   2.237   3.051
  150    HE2  TYR  20           HE2      TYR  20  96.167  -1.606   4.733
  151    HH   TYR  20           HH       TYR  20  94.688  -0.346   3.360
  152    H    ASP  21           HN       ASP  21  99.583  -1.143   1.760
  153    HA   ASP  21           HA       ASP  21 100.494   1.064   0.031
  154    HB2  ASP  21           HB2      ASP  21 100.457  -1.457  -0.756
  155    HB3  ASP  21           HB1      ASP  21  98.746  -1.132  -1.003
  156    H    LEU  22           HN       LEU  22  99.190   2.758  -0.097
  157    HA   LEU  22           HA       LEU  22  96.521   2.633   1.014
  158    HB2  LEU  22           HB2      LEU  22  96.523   5.112   0.313
  159    HB3  LEU  22           HB1      LEU  22  97.558   4.604   1.632
  160    HG   LEU  22           HG       LEU  22  98.810   4.610  -1.049
  161   HD11  LEU  22          HD11      LEU  22  98.797   6.834  -1.459
  162   HD12  LEU  22          HD12      LEU  22  98.690   7.263   0.248
  163   HD13  LEU  22          HD13      LEU  22  97.247   6.742  -0.622
  164   HD21  LEU  22          HD21      LEU  22  99.730   4.243   1.434
  165   HD22  LEU  22          HD22      LEU  22  99.941   5.991   1.311
  166   HD23  LEU  22          HD23      LEU  22 100.714   4.926   0.137
  167    H    ILE  23           HN       ILE  23  97.986   2.657  -2.141
  168    HA   ILE  23           HA       ILE  23  95.847   3.596  -3.681
  169    HB   ILE  23           HB       ILE  23  97.764   1.431  -4.544
  170   HG12  ILE  23          HG12      ILE  23  98.531   4.070  -5.405
  171   HG13  ILE  23          HG11      ILE  23  98.402   4.037  -3.649
  172   HG21  ILE  23          HG21      ILE  23  97.372   2.965  -6.712
  173   HG22  ILE  23          HG22      ILE  23  95.820   3.187  -5.903
  174   HG23  ILE  23          HG23      ILE  23  96.374   1.565  -6.319
  175   HD11  ILE  23          HD11      ILE  23 100.279   2.874  -3.445
  176   HD12  ILE  23          HD12      ILE  23 100.567   3.245  -5.145
  177   HD13  ILE  23          HD13      ILE  23  99.800   1.723  -4.692
  178    H    SER  24           HN       SER  24  96.688   0.252  -2.776
  179    HA   SER  24           HA       SER  24  94.057  -0.634  -3.710
  180    HB2  SER  24           HB2      SER  24  96.680  -1.965  -3.284
  181    HB3  SER  24           HB1      SER  24  95.239  -2.935  -2.983
  182    HG   SER  24           HG       SER  24  94.637  -2.715  -5.067
  183    H    GLY  25           HN       GLY  25  96.161  -0.912  -0.836
  184    HA2  GLY  25           HA2      GLY  25  95.261  -0.496   1.366
  185    HA3  GLY  25           HA1      GLY  25  93.719  -1.123   0.803
  186    H    ALA  26           HN       ALA  26  97.087  -2.321   0.805
  187    HA   ALA  26           HA       ALA  26  96.183  -4.665   2.322
  188    HB1  ALA  26           HB1      ALA  26  97.246  -6.215   0.861
  189    HB2  ALA  26           HB2      ALA  26  97.956  -4.919  -0.101
  190    HB3  ALA  26           HB3      ALA  26  96.212  -5.186  -0.131
  191    H    SER  27           HN       SER  27  97.680  -5.537   3.715
  192    HA   SER  27           HA       SER  27 100.009  -3.880   4.255
  193    HB2  SER  27           HB2      SER  27  99.942  -6.011   6.097
  194    HB3  SER  27           HB1      SER  27  99.439  -4.345   6.375
  195    HG   SER  27           HG       SER  27  97.866  -6.188   6.709
  196    H    GLN  28           HN       GLN  28 102.049  -4.422   3.831
  197    HA   GLN  28           HA       GLN  28 102.628  -7.183   2.977
  198    HB2  GLN  28           HB2      GLN  28 102.665  -5.019   1.312
  199    HB3  GLN  28           HB1      GLN  28 104.336  -5.055   1.857
  200    HG2  GLN  28           HG2      GLN  28 104.339  -7.507   1.203
  201    HG3  GLN  28           HG1      GLN  28 102.813  -7.178   0.383
  202   HE21  GLN  28          HE21      GLN  28 105.673  -7.859  -0.474
  203   HE22  GLN  28          HE22      GLN  28 106.002  -6.712  -1.723
  204    H    TRP  29           HN       TRP  29 105.046  -7.642   3.058
  205    HA   TRP  29           HA       TRP  29 106.275  -6.307   5.376
  206    HB2  TRP  29           HB2      TRP  29 106.178  -9.272   4.798
  207    HB3  TRP  29           HB1      TRP  29 107.202  -8.541   6.030
  208    HD1  TRP  29           HD1      TRP  29 103.593  -9.508   5.322
  209    HE1  TRP  29           HE1      TRP  29 102.215  -9.250   7.480
  210    HE3  TRP  29           HE3      TRP  29 107.077  -7.160   8.241
  211    HZ2  TRP  29           HZ2      TRP  29 102.556  -8.192  10.074
  212    HZ3  TRP  29           HZ3      TRP  29 106.468  -6.559  10.548
  213    HH2  TRP  29           HH2      TRP  29 104.254  -7.065  11.444
  214    H    GLU  30           HN       GLU  30 106.861  -8.347   2.518
  215    HA   GLU  30           HA       GLU  30 109.676  -7.877   2.483
  216    HB2  GLU  30           HB2      GLU  30 108.044  -9.689   1.280
  217    HB3  GLU  30           HB1      GLU  30 108.347  -8.592  -0.058
  218    HG2  GLU  30           HG2      GLU  30 110.465  -9.270  -0.297
  219    HG3  GLU  30           HG1      GLU  30 110.741  -9.361   1.441
  220    H    LYS  31           HN       LYS  31 110.842  -6.331   1.434
  221    HA   LYS  31           HA       LYS  31 109.590  -3.900   0.730
  222    HB2  LYS  31           HB2      LYS  31 112.027  -4.406   1.528
  223    HB3  LYS  31           HB1      LYS  31 112.358  -4.598  -0.188
  224    HG2  LYS  31           HG2      LYS  31 111.653  -2.335  -0.623
  225    HG3  LYS  31           HG1      LYS  31 111.165  -2.131   1.062
  226    HD2  LYS  31           HD2      LYS  31 113.972  -2.950   0.491
  227    HD3  LYS  31           HD1      LYS  31 113.509  -1.276   0.179
  228    HE2  LYS  31           HE2      LYS  31 112.799  -0.993   2.463
  229    HE3  LYS  31           HE1      LYS  31 113.069  -2.703   2.800
  230    HZ1  LYS  31           HZ1      LYS  31 114.974  -1.759   3.620
  231    HZ2  LYS  31           HZ2      LYS  31 115.035  -0.547   2.442
  232    HZ3  LYS  31           HZ3      LYS  31 115.479  -2.130   2.048
  233    HA   PRO  32           HA       PRO  32 108.194  -5.034  -3.384
  234    HB2  PRO  32           HB2      PRO  32 108.044  -2.071  -3.640
  235    HB3  PRO  32           HB1      PRO  32 106.809  -3.292  -3.964
  236    HG2  PRO  32           HG2      PRO  32 106.673  -1.778  -1.783
  237    HG3  PRO  32           HG1      PRO  32 106.235  -3.496  -1.723
  238    HD2  PRO  32           HD2      PRO  32 108.728  -2.138  -0.779
  239    HD3  PRO  32           HD1      PRO  32 107.824  -3.477  -0.041
  240    H    GLU  33           HN       GLU  33 108.716  -4.336  -5.657
  241    HA   GLU  33           HA       GLU  33 111.528  -4.314  -6.041
  242    HB2  GLU  33           HB2      GLU  33 109.492  -5.156  -7.568
  243    HB3  GLU  33           HB1      GLU  33 109.731  -3.574  -8.296
  244    HG2  GLU  33           HG2      GLU  33 111.162  -4.714  -9.600
  245    HG3  GLU  33           HG1      GLU  33 112.269  -4.422  -8.259
  246    H    GLY  34           HN       GLY  34 112.223  -2.408  -4.944
  247    HA2  GLY  34           HA2      GLY  34 113.254  -0.331  -5.846
  248    HA3  GLY  34           HA1      GLY  34 111.648   0.087  -6.418
  249    H    PHE  35           HN       PHE  35 109.973   0.441  -4.783
  250    HA   PHE  35           HA       PHE  35 109.145   1.418  -2.915
  251    HB2  PHE  35           HB2      PHE  35 110.157  -0.444  -1.689
  252    HB3  PHE  35           HB1      PHE  35 111.690   0.416  -1.614
  253    HD1  PHE  35           HD1      PHE  35 108.163   1.451  -0.944
  254    HD2  PHE  35           HD2      PHE  35 112.125   1.028   0.555
  255    HE1  PHE  35           HE1      PHE  35 107.471   2.496   1.172
  256    HE2  PHE  35           HE2      PHE  35 111.437   2.073   2.674
  257    HZ   PHE  35           HZ       PHE  35 109.108   2.811   2.983
  258    H    GLN  36           HN       GLN  36 112.620   2.044  -2.338
  259    HA   GLN  36           HA       GLN  36 112.359   4.792  -3.197
  260    HB2  GLN  36           HB2      GLN  36 112.408   4.021  -0.328
  261    HB3  GLN  36           HB1      GLN  36 113.410   5.387  -0.798
  262    HG2  GLN  36           HG2      GLN  36 111.246   6.228  -1.965
  263    HG3  GLN  36           HG1      GLN  36 110.443   5.101  -0.874
  264   HE21  GLN  36          HE21      GLN  36 111.118   8.212  -1.220
  265   HE22  GLN  36          HE22      GLN  36 111.295   8.698   0.429
  266    H    GLY  37           HN       GLY  37 114.054   4.639  -4.578
  267    HA2  GLY  37           HA2      GLY  37 116.694   4.173  -3.364
  268    HA3  GLY  37           HA1      GLY  37 116.252   3.294  -4.819
  269    H    ASP  38           HN       ASP  38 118.140   4.279  -5.771
  270    HA   ASP  38           HA       ASP  38 117.909   7.141  -6.358
  271    HB2  ASP  38           HB2      ASP  38 120.120   5.250  -6.099
  272    HB3  ASP  38           HB1      ASP  38 120.245   6.240  -7.550
  273    H    LEU  39           HN       LEU  39 118.675   7.740  -8.653
  274    HA   LEU  39           HA       LEU  39 117.072   6.173 -10.538
  275    HB2  LEU  39           HB2      LEU  39 117.287   8.895 -10.083
  276    HB3  LEU  39           HB1      LEU  39 118.236   8.658 -11.537
  277    HG   LEU  39           HG       LEU  39 116.267   7.541 -12.584
  278   HD11  LEU  39          HD11      LEU  39 115.302   7.202 -10.110
  279   HD12  LEU  39          HD12      LEU  39 114.280   7.244 -11.546
  280   HD13  LEU  39          HD13      LEU  39 114.457   8.687 -10.548
  281   HD21  LEU  39          HD21      LEU  39 114.861   9.748 -12.576
  282   HD22  LEU  39          HD22      LEU  39 116.469   9.713 -13.300
  283   HD23  LEU  39          HD23      LEU  39 116.243  10.384 -11.685
  284    H    LYS  40           HN       LYS  40 119.676   5.211  -9.694
  285    HA   LYS  40           HA       LYS  40 121.406   5.641 -12.000
  286    HB2  LYS  40           HB2      LYS  40 123.045   4.282 -10.759
  287    HB3  LYS  40           HB1      LYS  40 122.462   5.641  -9.808
  288    HG2  LYS  40           HG2      LYS  40 121.026   4.190  -8.527
  289    HG3  LYS  40           HG1      LYS  40 121.453   2.814  -9.546
  290    HD2  LYS  40           HD2      LYS  40 123.897   3.797  -8.694
  291    HD3  LYS  40           HD1      LYS  40 122.859   3.960  -7.276
  292    HE2  LYS  40           HE2      LYS  40 122.232   1.455  -8.260
  293    HE3  LYS  40           HE1      LYS  40 123.972   1.573  -8.516
  294    HZ1  LYS  40           HZ1      LYS  40 122.464   1.451  -6.029
  295    HZ2  LYS  40           HZ2      LYS  40 123.802   2.484  -6.032
  296    HZ3  LYS  40           HZ3      LYS  40 124.000   0.844  -6.395
  297    H    LYS  41           HN       LYS  41 121.998   4.052 -13.461
  298    HA   LYS  41           HA       LYS  41 120.600   1.474 -13.270
  299    HB2  LYS  41           HB2      LYS  41 119.749   3.413 -14.964
  300    HB3  LYS  41           HB1      LYS  41 120.911   2.586 -15.991
  301    HG2  LYS  41           HG2      LYS  41 119.725   0.578 -15.922
  302    HG3  LYS  41           HG1      LYS  41 118.795   1.072 -14.506
  303    HD2  LYS  41           HD2      LYS  41 118.552   2.636 -17.041
  304    HD3  LYS  41           HD1      LYS  41 117.707   1.095 -16.887
  305    HE2  LYS  41           HE2      LYS  41 116.072   2.348 -15.985
  306    HE3  LYS  41           HE1      LYS  41 117.062   2.261 -14.529
  307    HZ1  LYS  41           HZ1      LYS  41 116.571   4.508 -16.309
  308    HZ2  LYS  41           HZ2      LYS  41 118.152   4.368 -15.727
  309    HZ3  LYS  41           HZ3      LYS  41 116.861   4.489 -14.643
  310    H    THR  42           HN       THR  42 123.334   2.108 -12.626
  311    HA   THR  42           HA       THR  42 124.783   0.711 -14.777
  312    HB   THR  42           HB       THR  42 125.980   2.394 -12.571
  313    HG1  THR  42           HG1      THR  42 125.364   4.039 -13.691
  314   HG21  THR  42          HG21      THR  42 127.302   1.936 -15.189
  315   HG22  THR  42          HG22      THR  42 127.359   0.657 -13.975
  316   HG23  THR  42          HG23      THR  42 128.003   2.256 -13.603
  317    H    ALA  43           HN       ALA  43 125.745  -1.199 -14.356
  318    HA   ALA  43           HA       ALA  43 126.345  -3.118 -13.294
  319    HB1  ALA  43           HB1      ALA  43 127.547  -2.959 -11.334
  320    HB2  ALA  43           HB2      ALA  43 126.503  -1.703 -10.668
  321    HB3  ALA  43           HB3      ALA  43 127.652  -1.309 -11.947
  322    H    VAL  44           HN       VAL  44 125.818  -4.343 -10.987
  323    HA   VAL  44           HA       VAL  44 122.876  -4.301 -10.806
  324    HB   VAL  44           HB       VAL  44 124.671  -6.646 -10.178
  325   HG11  VAL  44          HG11      VAL  44 122.459  -7.866 -10.588
  326   HG12  VAL  44          HG12      VAL  44 121.702  -6.282 -10.417
  327   HG13  VAL  44          HG13      VAL  44 122.631  -6.966  -9.082
  328   HG21  VAL  44          HG21      VAL  44 123.107  -6.170 -12.714
  329   HG22  VAL  44          HG22      VAL  44 124.105  -7.573 -12.333
  330   HG23  VAL  44          HG23      VAL  44 124.855  -5.993 -12.559
  331    H    LYS  45           HN       LYS  45 121.911  -4.793  -8.735
  332    HA   LYS  45           HA       LYS  45 122.910  -3.310  -6.614
  333    HB2  LYS  45           HB2      LYS  45 120.698  -5.184  -7.022
  334    HB3  LYS  45           HB1      LYS  45 121.295  -5.172  -5.369
  335    HG2  LYS  45           HG2      LYS  45 120.489  -3.117  -4.950
  336    HG3  LYS  45           HG1      LYS  45 120.876  -2.519  -6.564
  337    HD2  LYS  45           HD2      LYS  45 118.594  -2.518  -6.693
  338    HD3  LYS  45           HD1      LYS  45 118.917  -4.159  -7.254
  339    HE2  LYS  45           HE2      LYS  45 118.566  -3.722  -4.333
  340    HE3  LYS  45           HE1      LYS  45 117.134  -3.640  -5.356
  341    HZ1  LYS  45           HZ1      LYS  45 118.793  -5.930  -4.666
  342    HZ2  LYS  45           HZ2      LYS  45 118.218  -5.885  -6.256
  343    HZ3  LYS  45           HZ3      LYS  45 117.130  -5.848  -4.963
  344    H    THR  46           HN       THR  46 124.748  -3.630  -5.552
  345    HA   THR  46           HA       THR  46 125.884  -6.263  -5.235
  346    HB   THR  46           HB       THR  46 127.509  -4.716  -3.746
  347    HG1  THR  46           HG1      THR  46 127.349  -2.657  -4.196
  348   HG21  THR  46          HG21      THR  46 128.075  -4.031  -6.465
  349   HG22  THR  46          HG22      THR  46 127.583  -5.721  -6.355
  350   HG23  THR  46          HG23      THR  46 128.930  -5.129  -5.382
  351    H    VAL  47           HN       VAL  47 126.986  -6.499  -2.869
  352    HA   VAL  47           HA       VAL  47 124.706  -6.667  -1.047
  353    HB   VAL  47           HB       VAL  47 127.435  -7.897  -0.647
  354   HG11  VAL  47          HG11      VAL  47 126.433  -8.125   1.382
  355   HG12  VAL  47          HG12      VAL  47 125.769  -9.553   0.591
  356   HG13  VAL  47          HG13      VAL  47 124.803  -8.083   0.709
  357   HG21  VAL  47          HG21      VAL  47 126.913  -9.031  -2.546
  358   HG22  VAL  47          HG22      VAL  47 125.181  -8.750  -2.371
  359   HG23  VAL  47          HG23      VAL  47 125.973  -9.998  -1.409
  360    H    TRP  48           HN       TRP  48 125.860  -4.087  -1.445
  361    HA   TRP  48           HA       TRP  48 126.877  -3.574   1.269
  362    HB2  TRP  48           HB2      TRP  48 127.855  -2.349  -1.314
  363    HB3  TRP  48           HB1      TRP  48 128.242  -1.703   0.277
  364    HD1  TRP  48           HD1      TRP  48 128.770  -4.943  -1.780
  365    HE1  TRP  48           HE1      TRP  48 130.956  -6.043  -0.982
  366    HE3  TRP  48           HE3      TRP  48 129.912  -1.779   2.071
  367    HZ2  TRP  48           HZ2      TRP  48 132.907  -5.623   1.016
  368    HZ3  TRP  48           HZ3      TRP  48 131.954  -2.198   3.377
  369    HH2  TRP  48           HH2      TRP  48 133.420  -4.082   2.860
  370    H    VAL  49           HN       VAL  49 126.154  -1.731   2.275
  371    HA   VAL  49           HA       VAL  49 123.835  -0.431   1.022
  372    HB   VAL  49           HB       VAL  49 124.546  -0.094   3.917
  373   HG11  VAL  49          HG11      VAL  49 121.940  -0.173   3.955
  374   HG12  VAL  49          HG12      VAL  49 122.096   0.143   2.227
  375   HG13  VAL  49          HG13      VAL  49 122.771   1.278   3.395
  376   HG21  VAL  49          HG21      VAL  49 124.631  -2.462   3.714
  377   HG22  VAL  49          HG22      VAL  49 123.190  -2.492   2.697
  378   HG23  VAL  49          HG23      VAL  49 123.058  -2.061   4.402
  379    H    GLU  50           HN       GLU  50 123.559   1.892   1.281
  380    HA   GLU  50           HA       GLU  50 126.145   3.302   1.444
  381    HB2  GLU  50           HB2      GLU  50 125.023   3.293  -0.790
  382    HB3  GLU  50           HB1      GLU  50 123.664   4.143  -0.070
  383    HG2  GLU  50           HG2      GLU  50 125.309   5.945   0.586
  384    HG3  GLU  50           HG1      GLU  50 126.468   5.130  -0.462
  385    H    GLY  51           HN       GLY  51 126.398   4.631   3.116
  386    HA2  GLY  51           HA2      GLY  51 123.984   5.763   4.395
  387    HA3  GLY  51           HA1      GLY  51 125.404   5.264   5.297
  388    H    LEU  52           HN       LEU  52 124.153   7.862   5.345
  389    HA   LEU  52           HA       LEU  52 126.274   9.523   4.145
  390    HB2  LEU  52           HB2      LEU  52 123.930   9.949   3.363
  391    HB3  LEU  52           HB1      LEU  52 123.515  10.399   5.006
  392    HG   LEU  52           HG       LEU  52 125.698  12.008   4.443
  393   HD11  LEU  52          HD11      LEU  52 125.611  12.815   2.308
  394   HD12  LEU  52          HD12      LEU  52 123.921  12.365   2.086
  395   HD13  LEU  52          HD13      LEU  52 125.179  11.131   2.015
  396   HD21  LEU  52          HD21      LEU  52 124.231  13.738   4.805
  397   HD22  LEU  52          HD22      LEU  52 123.333  12.391   5.506
  398   HD23  LEU  52          HD23      LEU  52 122.931  12.973   3.890
  399    H    SER  53           HN       SER  53 127.701  10.370   5.553
  400    HA   SER  53           HA       SER  53 126.779  11.104   8.231
  401    HB2  SER  53           HB2      SER  53 128.466   8.839   7.630
  402    HB3  SER  53           HB1      SER  53 129.323   9.997   8.648
  403    HG   SER  53           HG       SER  53 127.407   8.278   9.342
  404    H    GLU  54           HN       GLU  54 127.823  12.802   9.162
  405    HA   GLU  54           HA       GLU  54 128.905  14.796   9.219
  406    HB2  GLU  54           HB2      GLU  54 130.742  12.853   9.414
  407    HB3  GLU  54           HB1      GLU  54 131.339  13.659   7.970
  408    HG2  GLU  54           HG2      GLU  54 131.401  15.784   9.209
  409    HG3  GLU  54           HG1      GLU  54 130.865  14.936  10.657
  410    H    ASP  55           HN       ASP  55 127.937  16.164   7.834
  411    HA   ASP  55           HA       ASP  55 127.688  17.557   6.059
  412    HB2  ASP  55           HB2      ASP  55 130.395  16.495   5.221
  413    HB3  ASP  55           HB1      ASP  55 129.592  17.897   4.524
  414    H    GLY  56           HN       GLY  56 129.332  14.697   4.692
  415    HA2  GLY  56           HA2      GLY  56 127.088  13.570   3.476
  416    HA3  GLY  56           HA1      GLY  56 127.802  14.676   2.312
  417    H    PHE  57           HN       PHE  57 129.472  12.646   4.698
  418    HA   PHE  57           HA       PHE  57 131.140  11.563   2.588
  419    HB2  PHE  57           HB2      PHE  57 131.201  11.520   5.576
  420    HB3  PHE  57           HB1      PHE  57 132.080  10.274   4.700
  421    HD1  PHE  57           HD1      PHE  57 133.969  10.859   3.269
  422    HD2  PHE  57           HD2      PHE  57 131.936  13.797   5.577
  423    HE1  PHE  57           HE1      PHE  57 135.852  12.408   2.948
  424    HE2  PHE  57           HE2      PHE  57 133.812  15.355   5.260
  425    HZ   PHE  57           HZ       PHE  57 135.776  14.660   3.945
  426    H    THR  58           HN       THR  58 130.234  10.010   1.402
  427    HA   THR  58           HA       THR  58 128.234   8.259   2.402
  428    HB   THR  58           HB       THR  58 129.765   7.611  -0.078
  429    HG1  THR  58           HG1      THR  58 128.716   9.251  -1.185
  430   HG21  THR  58          HG21      THR  58 127.751   6.891  -0.939
  431   HG22  THR  58          HG22      THR  58 126.804   7.859   0.192
  432   HG23  THR  58          HG23      THR  58 127.650   6.418   0.757
  433    H    TYR  59           HN       TYR  59 128.496   6.529   3.602
  434    HA   TYR  59           HA       TYR  59 131.040   5.058   3.463
  435    HB2  TYR  59           HB2      TYR  59 130.827   4.464   5.753
  436    HB3  TYR  59           HB1      TYR  59 130.501   6.189   5.660
  437    HD1  TYR  59           HD1      TYR  59 128.985   2.869   6.159
  438    HD2  TYR  59           HD2      TYR  59 128.356   7.077   6.251
  439    HE1  TYR  59           HE1      TYR  59 126.865   2.519   7.350
  440    HE2  TYR  59           HE2      TYR  59 126.232   6.738   7.442
  441    HH   TYR  59           HH       TYR  59 124.609   3.965   7.557
  442    H    TYR  60           HN       TYR  60 130.982   2.788   3.370
  443    HA   TYR  60           HA       TYR  60 128.323   1.674   2.751
  444    HB2  TYR  60           HB2      TYR  60 130.940   0.768   1.541
  445    HB3  TYR  60           HB1      TYR  60 129.321   0.250   1.083
  446    HD1  TYR  60           HD2      TYR  60 127.728   2.125   0.207
  447    HD2  TYR  60           HD1      TYR  60 131.965   2.492   0.366
  448    HE1  TYR  60           HE2      TYR  60 127.632   3.909  -1.483
  449    HE2  TYR  60           HE1      TYR  60 131.879   4.280  -1.319
  450    HH   TYR  60           HH       TYR  60 130.010   4.863  -3.291
  451    H    TYR  61           HN       TYR  61 127.781  -0.316   3.569
  452    HA   TYR  61           HA       TYR  61 129.743  -1.589   5.365
  453    HB2  TYR  61           HB2      TYR  61 128.097  -0.360   6.689
  454    HB3  TYR  61           HB1      TYR  61 126.784  -1.183   5.855
  455    HD1  TYR  61           HD2      TYR  61 129.460  -1.540   8.346
  456    HD2  TYR  61           HD1      TYR  61 126.184  -3.457   6.421
  457    HE1  TYR  61           HE2      TYR  61 129.491  -3.302  10.060
  458    HE2  TYR  61           HE1      TYR  61 126.205  -5.226   8.129
  459    HH   TYR  61           HH       TYR  61 127.643  -4.976  11.015
  460    H    ASN  62           HN       ASN  62 129.667  -3.838   5.544
  461    HA   ASN  62           HA       ASN  62 128.094  -5.194   3.452
  462    HB2  ASN  62           HB2      ASN  62 130.654  -5.158   3.284
  463    HB3  ASN  62           HB1      ASN  62 130.646  -6.254   4.660
  464   HD21  ASN  62          HD21      ASN  62 131.619  -7.865   3.402
  465   HD22  ASN  62          HD22      ASN  62 130.718  -8.764   2.232
  466    H    THR  63           HN       THR  63 126.619  -6.626   4.092
  467    HA   THR  63           HA       THR  63 126.277  -7.225   6.880
  468    HB   THR  63           HB       THR  63 124.414  -8.746   5.890
  469    HG1  THR  63           HG1      THR  63 125.158  -8.789   3.762
  470   HG21  THR  63          HG21      THR  63 124.042  -6.505   6.913
  471   HG22  THR  63          HG22      THR  63 122.893  -6.947   5.651
  472   HG23  THR  63          HG23      THR  63 124.196  -5.811   5.299
  473    H    GLU  64           HN       GLU  64 127.716  -8.833   4.150
  474    HA   GLU  64           HA       GLU  64 127.608 -11.493   4.983
  475    HB2  GLU  64           HB2      GLU  64 128.353 -10.725   2.744
  476    HB3  GLU  64           HB1      GLU  64 129.844 -10.140   3.467
  477    HG2  GLU  64           HG2      GLU  64 130.692 -12.237   3.766
  478    HG3  GLU  64           HG1      GLU  64 129.100 -12.987   3.873
  479    H    THR  65           HN       THR  65 130.416  -9.299   5.327
  480    HA   THR  65           HA       THR  65 131.499 -11.013   7.414
  481    HB   THR  65           HB       THR  65 133.418  -9.352   7.332
  482    HG1  THR  65           HG1      THR  65 132.791  -7.555   6.407
  483   HG21  THR  65          HG21      THR  65 133.323 -11.495   5.989
  484   HG22  THR  65          HG22      THR  65 134.403 -10.234   5.397
  485   HG23  THR  65          HG23      THR  65 132.842 -10.494   4.619
  486    H    GLY  66           HN       GLY  66 130.371  -7.666   7.043
  487    HA2  GLY  66           HA2      GLY  66 129.157  -6.514   8.719
  488    HA3  GLY  66           HA1      GLY  66 129.830  -7.602   9.922
  489    H    GLU  67           HN       GLU  67 131.263  -5.462   7.447
  490    HA   GLU  67           HA       GLU  67 132.630  -4.002   9.589
  491    HB2  GLU  67           HB2      GLU  67 134.058  -5.868   8.490
  492    HB3  GLU  67           HB1      GLU  67 134.132  -4.785   7.108
  493    HG2  GLU  67           HG2      GLU  67 135.195  -3.082   8.437
  494    HG3  GLU  67           HG1      GLU  67 135.002  -4.053   9.896
  495    H    SER  68           HN       SER  68 132.716  -1.856   9.289
  496    HA   SER  68           HA       SER  68 131.296  -0.712   7.082
  497    HB2  SER  68           HB2      SER  68 132.096   1.480   8.215
  498    HB3  SER  68           HB1      SER  68 130.967   0.447   9.091
  499    HG   SER  68           HG       SER  68 133.780   0.600   9.448
  500    H    ARG  69           HN       ARG  69 132.068   0.605   5.449
  501    HA   ARG  69           HA       ARG  69 134.982   0.732   5.079
  502    HB2  ARG  69           HB2      ARG  69 133.774  -1.122   3.747
  503    HB3  ARG  69           HB1      ARG  69 133.109   0.191   2.786
  504    HG2  ARG  69           HG2      ARG  69 134.982   0.391   1.618
  505    HG3  ARG  69           HG1      ARG  69 135.966   0.465   3.081
  506    HD2  ARG  69           HD2      ARG  69 134.891  -2.191   2.380
  507    HD3  ARG  69           HD1      ARG  69 136.095  -1.531   1.274
  508    HE   ARG  69           HE       ARG  69 136.889  -1.342   4.019
  509   HH11  ARG  69          HH11      ARG  69 136.761  -3.488   1.255
  510   HH12  ARG  69          HH12      ARG  69 138.090  -4.457   1.791
  511   HH21  ARG  69          HH21      ARG  69 138.639  -2.629   4.722
  512   HH22  ARG  69          HH22      ARG  69 139.155  -3.971   3.756
  513    H    TRP  70           HN       TRP  70 135.679   2.421   3.582
  514    HA   TRP  70           HA       TRP  70 133.707   4.593   3.293
  515    HB2  TRP  70           HB2      TRP  70 136.626   4.905   4.039
  516    HB3  TRP  70           HB1      TRP  70 135.468   6.213   3.825
  517    HD1  TRP  70           HD1      TRP  70 136.297   3.328   6.230
  518    HE1  TRP  70           HE1      TRP  70 135.214   3.828   8.510
  519    HE3  TRP  70           HE3      TRP  70 133.633   7.509   4.969
  520    HZ2  TRP  70           HZ2      TRP  70 133.466   5.740   9.628
  521    HZ3  TRP  70           HZ3      TRP  70 132.281   8.612   6.705
  522    HH2  TRP  70           HH2      TRP  70 132.200   7.744   8.985
  523    H    GLU  71           HN       GLU  71 134.639   2.542   1.378
  524    HA   GLU  71           HA       GLU  71 135.263   4.335  -0.812
  525    HB2  GLU  71           HB2      GLU  71 137.168   2.276   0.216
  526    HB3  GLU  71           HB1      GLU  71 137.042   2.489  -1.524
  527    HG2  GLU  71           HG2      GLU  71 138.554   4.096  -1.301
  528    HG3  GLU  71           HG1      GLU  71 137.263   5.069  -0.601
  529    H    LYS  72           HN       LYS  72 134.090   3.759  -2.548
  530    HA   LYS  72           HA       LYS  72 132.339   1.553  -2.489
  531    HB2  LYS  72           HB2      LYS  72 131.966   3.670  -3.769
  532    HB3  LYS  72           HB1      LYS  72 133.185   3.139  -4.919
  533    HG2  LYS  72           HG2      LYS  72 131.760   1.089  -5.295
  534    HG3  LYS  72           HG1      LYS  72 130.502   1.906  -4.366
  535    HD2  LYS  72           HD2      LYS  72 130.823   3.854  -5.999
  536    HD3  LYS  72           HD1      LYS  72 131.706   2.700  -7.001
  537    HE2  LYS  72           HE2      LYS  72 129.834   1.603  -7.613
  538    HE3  LYS  72           HE1      LYS  72 129.097   1.761  -6.019
  539    HZ1  LYS  72           HZ1      LYS  72 128.435   3.985  -6.525
  540    HZ2  LYS  72           HZ2      LYS  72 127.925   2.993  -7.797
  541    HZ3  LYS  72           HZ3      LYS  72 129.288   3.976  -7.988
  542    HA   PRO  73           HA       PRO  73 135.274  -1.542  -3.867
  543    HB2  PRO  73           HB2      PRO  73 133.596  -3.655  -3.820
  544    HB3  PRO  73           HB1      PRO  73 134.240  -2.928  -2.344
  545    HG2  PRO  73           HG2      PRO  73 131.565  -2.531  -3.634
  546    HG3  PRO  73           HG1      PRO  73 131.954  -2.777  -1.922
  547    HD2  PRO  73           HD2      PRO  73 131.459  -0.325  -2.987
  548    HD3  PRO  73           HD1      PRO  73 132.552  -0.577  -1.611
  549    H    ASP  74           HN       ASP  74 135.738  -2.678  -5.746
  550    HA   ASP  74           HA       ASP  74 135.727  -3.170  -7.960
  551    HB2  ASP  74           HB2      ASP  74 133.199  -3.922  -7.039
  552    HB3  ASP  74           HB1      ASP  74 132.866  -2.982  -8.487
  553    H    ASP  75           HN       ASP  75 134.148  -2.285 -10.085
  554    HA   ASP  75           HA       ASP  75 135.085   0.411 -10.327
  555    HB2  ASP  75           HB2      ASP  75 133.950   0.279 -12.599
  556    HB3  ASP  75           HB1      ASP  75 135.221  -0.900 -12.308