*HEADER    TRANSCRIPTION                           11-SEP-07   2JV3              
*TITLE     ETS-1 PNT DOMAIN (29-138) NMR STRUCTURE ENSEMBLE                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ETS1 PROTO-ONCOGENE;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ETS-1 PNT DOMAIN (RESIDUES 29-138);                        
*COMPND   5 SYNONYM: E26 AVIAN LEUKEMIA ONCOGENE 1, 5' DOMAIN;                   
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 GENE: ETS1;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET22B                                     
*KEYWDS    ETS-1 POINTED (PNT) DOMAIN, MAP KINASE PHOSPHORYLATION SITE,          
*KEYWDS   2 ALPHA-HELICAL BUNDLE, TRANSCRIPTION FACTOR, DNA-BINDING,             
*KEYWDS   3 NUCLEUS                                                              
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    G.M.LEE, H.KANG, M.SCHAERPF, C.M.SLUPSKY, M.P.LAWRENCE                
*REVDAT   1   16-OCT-07 2JV3    0                                                

 ASSI {    2}
   (( segid "    " and resid 80   and name HH2 ))
   (( segid "    " and resid 113  and name HZ  ))
      2.400     0.700     0.700 peak     2 spectrum    1 weight  0.10000E+01 volume  0.29693E-02 ppm1      7.125 ppm2      7.578 CV     1
 ASSI {   18}
   (( segid "    " and resid 83   and name HD1 ))
   (( segid "    " and resid 83   and name HN  ))
      4.900     3.000     1.100 peak    18 spectrum    1 weight  0.10000E+01 volume  0.65094E-03 ppm1      7.369 ppm2      8.167 CV     1
 ASSI {   21}
   (( segid "    " and resid 72   and name HZ3 ))
   (( segid "    " and resid 80   and name HE3 ))
      2.800     1.000     1.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.16681E-02 ppm1      6.133 ppm2      8.078 CV     1
 ASSI {   22}
   (( segid "    " and resid 72   and name HZ2 ))
   (  segid "    " and resid 65   and name HG2%)
      3.400     1.400     1.400 peak    22 spectrum    1 weight  0.10000E+01 volume  0.22515E-02 ppm1      6.977 ppm2      0.312 CV     1
 ASSI {   24}
   (( segid "    " and resid 72   and name HD1 ))
   (  segid "    " and resid 65   and name HG2%)
      3.100     1.200     1.200 peak    24 spectrum    1 weight  0.10000E+01 volume  0.15492E-02 ppm1      6.355 ppm2      0.309 CV     1
 ASSI {   26}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 66   and name HG2 ))
      2.400     0.700     0.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.32381E-02 ppm1      6.354 ppm2      1.999 CV     1
 OR {   26}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {   27}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 66   and name HB2 ))
      2.500     0.800     0.800 peak    27 spectrum    1 weight  0.10000E+01 volume  0.35422E-02 ppm1      6.353 ppm2      1.820 CV     1
 OR {   27}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 66   and name HB3 ))
 ASSI {   28}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 66   and name HD2 ))
      2.500     0.800     0.800 peak    28 spectrum    1 weight  0.10000E+01 volume  0.24706E-02 ppm1      6.353 ppm2      2.677 CV     1
 OR {   28}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 66   and name HD3 ))
 ASSI {   34}
   (( segid "    " and resid 72   and name HE3 ))
   (  segid "    " and resid 77   and name HG2%)
      1.700     0.400     0.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.81791E-02 ppm1      7.254 ppm2      1.611 CV     1
 ASSI {   36}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 71   and name HN  ))
      4.300     2.300     1.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.61503E-03 ppm1      6.353 ppm2      8.150 CV     1
 ASSI {   37}
   (( segid "    " and resid 72   and name HH2 ))
   (  segid "    " and resid 65   and name HG2%)
      4.400     2.400     1.600 peak    37 spectrum    1 weight  0.10000E+01 volume  0.55559E-03 ppm1      5.802 ppm2      0.326 CV     1
 ASSI {   38}
   (( segid "    " and resid 72   and name HZ2 ))
   (  segid "    " and resid 132  and name HD2%)
      3.000     1.100     1.100 peak    38 spectrum    1 weight  0.10000E+01 volume  0.10386E-02 ppm1      6.980 ppm2      0.890 CV     1
 ASSI {   39}
   (( segid "    " and resid 72   and name HZ3 ))
   (( segid "    " and resid 80   and name HZ3 ))
      3.500     1.500     1.500 peak    39 spectrum    1 weight  0.10000E+01 volume  0.88285E-03 ppm1      6.146 ppm2      7.094 CV     1
 OR {   39}
   (( segid "    " and resid 72   and name HZ3 ))
   (( segid "    " and resid 80   and name HH2 ))
 ASSI {   44}
   (( segid "    " and resid 72   and name HE3 ))
   (( segid "    " and resid 77   and name HN  ))
      4.600     2.700     1.400 peak    44 spectrum    1 weight  0.10000E+01 volume  0.57310E-03 ppm1      7.256 ppm2      8.278 CV     1
 ASSI {   46}
   (( segid "    " and resid 72   and name HE3 ))
   (  segid "    " and resid 81   and name HG2%)
      4.800     2.900     1.200 peak    46 spectrum    1 weight  0.10000E+01 volume  0.61237E-03 ppm1      7.251 ppm2      0.388 CV     1
 ASSI {   47}
   (( segid "    " and resid 72   and name HE3 ))
   (( segid "    " and resid 77   and name HB  ))
      4.900     3.000     1.100 peak    47 spectrum    1 weight  0.10000E+01 volume  0.55405E-03 ppm1      7.251 ppm2      2.721 CV     1
 ASSI {   49}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 65   and name HG12))
      2.700     0.900     0.900 peak    49 spectrum    1 weight  0.10000E+01 volume  0.22952E-02 ppm1      7.237 ppm2      0.738 CV     1
 OR {   49}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 65   and name HG13))
 ASSI {   52}
   (( segid "    " and resid 76   and name HE1 ))
   (( segid "    " and resid 72   and name HD1 ))
      4.500     2.500     1.500 peak    52 spectrum    1 weight  0.10000E+01 volume  0.64419E-03 ppm1      7.912 ppm2      6.349 CV     1
 ASSI {   53}
   (( segid "    " and resid 76   and name HE1 ))
   (( segid "    " and resid 72   and name HA  ))
      4.300     2.300     1.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.10104E-02 ppm1      7.908 ppm2      5.806 CV     1
 ASSI {   55}
   (( segid "    " and resid 76   and name HE1 ))
   (( segid "    " and resid 66   and name HD3 ))
      3.300     1.400     1.400 peak    55 spectrum    1 weight  0.10000E+01 volume  0.10534E-02 ppm1      7.914 ppm2      2.673 CV     1
 OR {   55}
   (( segid "    " and resid 76   and name HE1 ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI {   56}
   (( segid "    " and resid 76   and name HE1 ))
   (( segid "    " and resid 66   and name HG2 ))
      3.400     1.400     1.400 peak    56 spectrum    1 weight  0.10000E+01 volume  0.16015E-02 ppm1      7.916 ppm2      1.999 CV     1
 OR {   56}
   (( segid "    " and resid 76   and name HE1 ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {   58}
   (( segid "    " and resid 76   and name HE1 ))
   (  segid "    " and resid 73   and name HG2%)
      2.500     0.800     0.800 peak    58 spectrum    1 weight  0.10000E+01 volume  0.69785E-02 ppm1      7.912 ppm2      1.453 CV     1
 ASSI {   59}
   (( segid "    " and resid 76   and name HE1 ))
   (( segid "    " and resid 73   and name HN  ))
      3.900     1.900     1.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.16646E-02 ppm1      7.916 ppm2     11.172 CV     1
 ASSI {   60}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 73   and name HN  ))
      4.500     2.500     1.500 peak    60 spectrum    1 weight  0.10000E+01 volume  0.51927E-03 ppm1      7.235 ppm2     11.180 CV     1
 ASSI {   62}
   (( segid "    " and resid 128  and name HD2 ))
   (( segid "    " and resid 129  and name HA  ))
      4.000     2.000     2.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.10964E-02 ppm1      6.376 ppm2      3.276 CV     1
 ASSI {   63}
   (( segid "    " and resid 128  and name HD2 ))
   (  segid "    " and resid 53   and name HE% )
      3.400     1.500     1.500 peak    63 spectrum    1 weight  0.10000E+01 volume  0.11038E-02 ppm1      6.379 ppm2      7.102 CV     1
 OR {   63}
   (( segid "    " and resid 128  and name HD2 ))
   (  segid "    " and resid 53   and name HD% )
 ASSI {   65}
   (( segid "    " and resid 128  and name HD2 ))
   (( segid "    " and resid 132  and name HN  ))
      3.200     1.200     1.200 peak    65 spectrum    1 weight  0.10000E+01 volume  0.91266E-03 ppm1      6.377 ppm2      8.363 CV     1
 ASSI {   66}
   (( segid "    " and resid 128  and name HD2 ))
   (( segid "    " and resid 50   and name HE3 ))
      4.900     3.000     1.100 peak    66 spectrum    1 weight  0.10000E+01 volume  0.77601E-03 ppm1      6.376 ppm2      3.028 CV     1
 OR {   66}
   (( segid "    " and resid 128  and name HD2 ))
   (( segid "    " and resid 50   and name HE2 ))
 ASSI {   67}
   (( segid "    " and resid 128  and name HD2 ))
   (( segid "    " and resid 128  and name HB2 ))
      3.600     1.600     1.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.69099E-03 ppm1      6.375 ppm2      2.789 CV     1
 OR {   67}
   (( segid "    " and resid 128  and name HD2 ))
   (( segid "    " and resid 128  and name HB3 ))
 ASSI {   69}
   (( segid "    " and resid 128  and name HD2 ))
   (( segid "    " and resid 131  and name HB  ))
      2.300     0.700     0.700 peak    69 spectrum    1 weight  0.10000E+01 volume  0.22814E-02 ppm1      6.376 ppm2      2.087 CV     1
 ASSI {   70}
   (( segid "    " and resid 128  and name HD2 ))
   (( segid "    " and resid 132  and name HG  ))
      2.400     0.700     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.21453E-02 ppm1      6.378 ppm2      1.301 CV     1
 ASSI {   71}
   (( segid "    " and resid 128  and name HD2 ))
   (  segid "    " and resid 132  and name HD2%)
      3.300     1.300     1.300 peak    71 spectrum    1 weight  0.10000E+01 volume  0.17030E-02 ppm1      6.374 ppm2      0.863 CV     1
 ASSI {   72}
   (( segid "    " and resid 128  and name HD2 ))
   (  segid "    " and resid 132  and name HD1%)
      3.800     1.800     1.800 peak    72 spectrum    1 weight  0.10000E+01 volume  0.91599E-03 ppm1      6.377 ppm2     -0.100 CV     1
 ASSI {   73}
   (( segid "    " and resid 128  and name HD2 ))
   (  segid "    " and resid 131  and name HG2%)
      2.400     0.700     0.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.51467E-02 ppm1      6.378 ppm2      0.986 CV     1
 OR {   73}
   (( segid "    " and resid 128  and name HD2 ))
   (  segid "    " and resid 131  and name HD1%)
 ASSI {   74}
   (( segid "    " and resid 128  and name HE1 ))
   (( segid "    " and resid 83   and name HH2 ))
      3.000     1.100     1.100 peak    74 spectrum    1 weight  0.10000E+01 volume  0.22396E-02 ppm1      6.752 ppm2      7.184 CV     1
 ASSI {   75}
   (( segid "    " and resid 128  and name HE1 ))
   (( segid "    " and resid 80   and name HD1 ))
      2.700     0.900     0.900 peak    75 spectrum    1 weight  0.10000E+01 volume  0.28682E-02 ppm1      6.753 ppm2      6.040 CV     1
 ASSI {   77}
   (( segid "    " and resid 128  and name HE1 ))
   (( segid "    " and resid 56   and name HN  ))
      4.100     2.100     1.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.60817E-03 ppm1      6.754 ppm2      7.840 CV     1
 ASSI {   78}
   (( segid "    " and resid 128  and name HE1 ))
   (( segid "    " and resid 57   and name HN  ))
      3.400     1.500     1.500 peak    78 spectrum    1 weight  0.10000E+01 volume  0.97608E-03 ppm1      6.755 ppm2      7.623 CV     1
 ASSI {   81}
   (( segid "    " and resid 128  and name HE1 ))
   (( segid "    " and resid 56   and name HB3 ))
      2.700     0.900     0.900 peak    81 spectrum    1 weight  0.10000E+01 volume  0.21683E-02 ppm1      6.753 ppm2      1.844 CV     1
 OR {   81}
   (( segid "    " and resid 128  and name HE1 ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {   82}
   (( segid "    " and resid 128  and name HE1 ))
   (  segid "    " and resid 132  and name HD2%)
      3.500     1.500     1.500 peak    82 spectrum    1 weight  0.10000E+01 volume  0.86049E-03 ppm1      6.738 ppm2      0.882 CV     1
 ASSI {   83}
   (( segid "    " and resid 128  and name HE1 ))
   (( segid "    " and resid 80   and name HE1 ))
      3.200     1.300     1.300 peak    83 spectrum    1 weight  0.10000E+01 volume  0.25396E-02 ppm1      6.751 ppm2     11.688 CV     1
 ASSI {   84}
   (( segid "    " and resid 128  and name HE1 ))
   (  segid "    " and resid 132  and name HD1%)
      3.800     1.800     1.800 peak    84 spectrum    1 weight  0.10000E+01 volume  0.18558E-02 ppm1      6.754 ppm2     -0.097 CV     1
 ASSI {   85}
   (( segid "    " and resid 80   and name HD1 ))
   (( segid "    " and resid 57   and name HN  ))
      3.800     1.800     1.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.14628E-02 ppm1      6.038 ppm2      7.619 CV     1
 ASSI {   87}
   (( segid "    " and resid 80   and name HD1 ))
   (( segid "    " and resid 72   and name HZ2 ))
      4.000     2.000     2.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.12660E-02 ppm1      6.039 ppm2      6.951 CV     1
 ASSI {   90}
   (( segid "    " and resid 80   and name HD1 ))
   (( segid "    " and resid 72   and name HH2 ))
      3.400     1.400     1.400 peak    90 spectrum    1 weight  0.10000E+01 volume  0.80214E-03 ppm1      6.041 ppm2      5.793 CV     1
 ASSI {   91}
   (( segid "    " and resid 80   and name HD1 ))
   (  segid "    " and resid 132  and name HD1%)
      3.500     1.500     1.500 peak    91 spectrum    1 weight  0.10000E+01 volume  0.10768E-02 ppm1      6.044 ppm2     -0.092 CV     1
 ASSI {   92}
   (( segid "    " and resid 80   and name HZ2 ))
   (( segid "    " and resid 125  and name HN  ))
      3.700     3.700     2.300 peak    92 spectrum    1 weight  0.10000E+01 volume  0.12559E-02 ppm1      7.787 ppm2      7.638 CV     1
 ASSI {   93}
   (( segid "    " and resid 80   and name HZ2 ))
   (( segid "    " and resid 125  and name HA  ))
      2.800     1.000     1.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.20095E-02 ppm1      7.790 ppm2      4.336 CV     1
 ASSI {   96}
   (( segid "    " and resid 80   and name HZ2 ))
   (( segid "    " and resid 125  and name HB2 ))
      3.100     1.200     1.200 peak    96 spectrum    1 weight  0.10000E+01 volume  0.12339E-02 ppm1      7.791 ppm2      2.138 CV     1
 OR {   96}
   (( segid "    " and resid 80   and name HZ2 ))
   (( segid "    " and resid 125  and name HB3 ))
 ASSI {   97}
   (( segid "    " and resid 80   and name HZ2 ))
   (( segid "    " and resid 129  and name HG  ))
      4.100     2.100     1.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.17473E-02 ppm1      7.790 ppm2      1.224 CV     1
 ASSI {   98}
   (( segid "    " and resid 80   and name HZ2 ))
   (  segid "    " and resid 125  and name HD2%)
      2.700     0.900     0.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.18055E-02 ppm1      7.788 ppm2      0.319 CV     1
 ASSI {   99}
   (( segid "    " and resid 80   and name HZ2 ))
   (  segid "    " and resid 129  and name HD2%)
      4.400     2.400     1.600 peak    99 spectrum    1 weight  0.10000E+01 volume  0.64576E-03 ppm1      7.790 ppm2     -0.013 CV     1
 ASSI {  101}
   (( segid "    " and resid 126  and name HH2 ))
   (( segid "    " and resid 109  and name HA1 ))
      3.300     1.300     1.300 peak   101 spectrum    1 weight  0.10000E+01 volume  0.15993E-02 ppm1      7.129 ppm2      3.959 CV     1
 OR {  101}
   (( segid "    " and resid 126  and name HH2 ))
   (( segid "    " and resid 109  and name HA2 ))
 ASSI {  104}
   (( segid "    " and resid 80   and name HH2 ))
   (( segid "    " and resid 125  and name HB2 ))
      3.200     1.200     1.200 peak   104 spectrum    1 weight  0.10000E+01 volume  0.21018E-02 ppm1      7.124 ppm2      2.151 CV     1
 OR {  104}
   (( segid "    " and resid 80   and name HH2 ))
   (( segid "    " and resid 125  and name HB3 ))
 ASSI {  107}
   (( segid "    " and resid 80   and name HH2 ))
   (  segid "    " and resid 129  and name HD1%)
      3.100     1.200     1.200 peak   107 spectrum    1 weight  0.10000E+01 volume  0.14107E-02 ppm1      7.123 ppm2      0.097 CV     1
 ASSI {  109}
   (( segid "    " and resid 80   and name HH2 ))
   (  segid "    " and resid 129  and name HD2%)
      2.600     0.900     0.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.10339E-02 ppm1      7.119 ppm2     -0.004 CV     1
 ASSI {  110}
   (( segid "    " and resid 80   and name HZ3 ))
   (( segid "    " and resid 113  and name HZ  ))
      3.300     1.300     1.300 peak   110 spectrum    1 weight  0.10000E+01 volume  0.73024E-03 ppm1      7.106 ppm2      7.568 CV     1
 ASSI {  111}
   (( segid "    " and resid 80   and name HZ3 ))
   (( segid "    " and resid 125  and name HB2 ))
      4.500     2.600     1.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.58172E-03 ppm1      7.102 ppm2      2.144 CV     1
 OR {  111}
   (( segid "    " and resid 80   and name HZ3 ))
   (( segid "    " and resid 125  and name HB3 ))
 ASSI {  112}
   (( segid "    " and resid 80   and name HZ3 ))
   (  segid "    " and resid 77   and name HG1%)
      2.900     1.100     1.100 peak   112 spectrum    1 weight  0.10000E+01 volume  0.11079E-02 ppm1      7.104 ppm2      1.697 CV     1
 ASSI {  113}
   (( segid "    " and resid 80   and name HZ3 ))
   (  segid "    " and resid 105  and name HD1%)
      2.600     0.900     0.900 peak   113 spectrum    1 weight  0.10000E+01 volume  0.11329E-02 ppm1      7.105 ppm2      1.376 CV     1
 ASSI {  114}
   (( segid "    " and resid 80   and name HZ3 ))
   (  segid "    " and resid 105  and name HD2%)
      2.500     0.800     0.800 peak   114 spectrum    1 weight  0.10000E+01 volume  0.26322E-02 ppm1      7.102 ppm2      1.269 CV     1
 ASSI {  115}
   (( segid "    " and resid 80   and name HZ3 ))
   (  segid "    " and resid 81   and name HG2%)
      2.700     0.900     0.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.15701E-02 ppm1      7.102 ppm2      0.358 CV     1
 ASSI {  116}
   (( segid "    " and resid 80   and name HZ3 ))
   (  segid "    " and resid 129  and name HD1%)
      4.200     2.200     1.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.58497E-03 ppm1      7.106 ppm2      0.092 CV     1
 ASSI {  118}
   (( segid "    " and resid 80   and name HE3 ))
   (( segid "    " and resid 80   and name HN  ))
      3.600     1.600     1.600 peak   118 spectrum    1 weight  0.10000E+01 volume  0.84211E-03 ppm1      8.077 ppm2      8.491 CV     1
 ASSI {  126}
   (( segid "    " and resid 83   and name HZ2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.800     1.000     1.000 peak   126 spectrum    1 weight  0.10000E+01 volume  0.14158E-02 ppm1      7.369 ppm2      7.855 CV     1
 ASSI {  129}
   (( segid "    " and resid 83   and name HZ2 ))
   (( segid "    " and resid 55   and name HA2 ))
      2.900     1.000     1.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.13992E-02 ppm1      7.373 ppm2      4.168 CV     1
 OR {  129}
   (( segid "    " and resid 83   and name HZ2 ))
   (( segid "    " and resid 55   and name HA1 ))
 ASSI {  130}
   (( segid "    " and resid 83   and name HZ2 ))
   (( segid "    " and resid 56   and name HA  ))
      4.600     2.700     1.400 peak   130 spectrum    1 weight  0.10000E+01 volume  0.60882E-03 ppm1      7.383 ppm2      3.500 CV     1
 ASSI {  131}
   (( segid "    " and resid 126  and name HZ2 ))
   (( segid "    " and resid 130  and name HB2 ))
      3.700     1.700     1.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.97323E-03 ppm1      7.363 ppm2      1.751 CV     1
 OR {  131}
   (( segid "    " and resid 126  and name HZ2 ))
   (( segid "    " and resid 130  and name HB3 ))
 ASSI {  136}
   (( segid "    " and resid 126  and name HZ2 ))
   (( segid "    " and resid 110  and name HN  ))
      3.600     1.600     1.600 peak   136 spectrum    1 weight  0.10000E+01 volume  0.86867E-03 ppm1      7.357 ppm2      8.120 CV     1
 ASSI {  137}
   (( segid "    " and resid 83   and name HH2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.300     0.700     0.700 peak   137 spectrum    1 weight  0.10000E+01 volume  0.20529E-02 ppm1      7.167 ppm2      4.923 CV     1
 ASSI {  140}
   (( segid "    " and resid 126  and name HD1 ))
   (( segid "    " and resid 127  and name HA  ))
      3.300     1.400     1.400 peak   140 spectrum    1 weight  0.10000E+01 volume  0.13417E-02 ppm1      7.094 ppm2      3.890 CV     1
 ASSI {  141}
   (( segid "    " and resid 126  and name HD1 ))
   (( segid "    " and resid 126  and name HA  ))
      4.300     2.300     1.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.56031E-03 ppm1      7.096 ppm2      3.751 CV     1
 ASSI {  142}
   (( segid "    " and resid 126  and name HD1 ))
   (( segid "    " and resid 126  and name HB3 ))
      2.600     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.38122E-02 ppm1      7.095 ppm2      3.257 CV     1
 OR {  142}
   (( segid "    " and resid 126  and name HD1 ))
   (( segid "    " and resid 126  and name HB2 ))
 ASSI {  143}
   (( segid "    " and resid 126  and name HD1 ))
   (( segid "    " and resid 123  and name HB2 ))
      3.800     1.800     1.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.70815E-03 ppm1      7.092 ppm2      2.653 CV     1
 ASSI {  144}
   (( segid "    " and resid 126  and name HD1 ))
   (( segid "    " and resid 127  and name HG2 ))
      3.100     1.200     1.200 peak   144 spectrum    1 weight  0.10000E+01 volume  0.20858E-02 ppm1      7.094 ppm2      2.523 CV     1
 OR {  144}
   (( segid "    " and resid 126  and name HD1 ))
   (( segid "    " and resid 127  and name HG3 ))
 ASSI {  146}
   (( segid "    " and resid 126  and name HD1 ))
   (  segid "    " and resid 114  and name HD2%)
      4.200     2.200     1.800 peak   146 spectrum    1 weight  0.10000E+01 volume  0.52881E-03 ppm1      7.093 ppm2      0.822 CV     1
 ASSI {  147}
   (( segid "    " and resid 126  and name HD1 ))
   (( segid "    " and resid 130  and name HB2 ))
      3.500     1.600     1.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.11821E-02 ppm1      7.094 ppm2      1.745 CV     1
 OR {  147}
   (( segid "    " and resid 126  and name HD1 ))
   (( segid "    " and resid 130  and name HB3 ))
 ASSI {  150}
   (( segid "    " and resid 126  and name HZ3 ))
   (( segid "    " and resid 109  and name HA1 ))
      3.500     1.600     1.600 peak   150 spectrum    1 weight  0.10000E+01 volume  0.92505E-03 ppm1      6.808 ppm2      3.967 CV     1
 OR {  150}
   (( segid "    " and resid 126  and name HZ3 ))
   (( segid "    " and resid 109  and name HA2 ))
 ASSI {  151}
   (( segid "    " and resid 126  and name HZ3 ))
   (( segid "    " and resid 113  and name HB2 ))
      3.500     1.500     1.500 peak   151 spectrum    1 weight  0.10000E+01 volume  0.99684E-03 ppm1      6.804 ppm2      3.056 CV     1
 ASSI {  156}
   (( segid "    " and resid 126  and name HE3 ))
   (( segid "    " and resid 126  and name HB2 ))
      2.800     1.000     1.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.19099E-02 ppm1      6.241 ppm2      3.255 CV     1
 OR {  156}
   (( segid "    " and resid 126  and name HE3 ))
   (( segid "    " and resid 126  and name HB3 ))
 ASSI {  159}
   (  segid "    " and resid 113  and name HE% )
   (( segid "    " and resid 122  and name HA1 ))
      2.400     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.20484E-02 ppm1      7.790 ppm2      3.748 CV     1
 OR {  159}
   (  segid "    " and resid 113  and name HE% )
   (( segid "    " and resid 122  and name HA2 ))
 ASSI {  161}
   (  segid "    " and resid 113  and name HE% )
   (( segid "    " and resid 108  and name HG  ))
      3.700     1.700     1.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.25673E-02 ppm1      7.790 ppm2      2.347 CV     1
 ASSI {  162}
   (  segid "    " and resid 113  and name HE% )
   (( segid "    " and resid 125  and name HB3 ))
      2.400     0.700     0.700 peak   162 spectrum    1 weight  0.10000E+01 volume  0.20774E-02 ppm1      7.789 ppm2      2.144 CV     1
 OR {  162}
   (  segid "    " and resid 113  and name HE% )
   (( segid "    " and resid 125  and name HB2 ))
 ASSI {  163}
   (  segid "    " and resid 113  and name HE% )
   (( segid "    " and resid 105  and name HG  ))
      3.800     1.800     1.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.13136E-02 ppm1      7.790 ppm2      1.899 CV     1
 ASSI {  168}
   (  segid "    " and resid 113  and name HE% )
   (  segid "    " and resid 125  and name HD2%)
      4.100     2.100     1.900 peak   168 spectrum    1 weight  0.10000E+01 volume  0.11125E-02 ppm1      7.789 ppm2      0.316 CV     1
 ASSI {  169}
   (  segid "    " and resid 113  and name HE% )
   (  segid "    " and resid 129  and name HD1%)
      4.000     2.000     2.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.12718E-02 ppm1      7.788 ppm2      0.100 CV     1
 ASSI {  170}
   (  segid "    " and resid 113  and name HE% )
   (  segid "    " and resid 129  and name HD2%)
      2.500     0.800     0.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.14406E-02 ppm1      7.791 ppm2     -0.019 CV     1
 ASSI {  171}
   (( segid "    " and resid 113  and name HZ  ))
   (( segid "    " and resid 125  and name HA  ))
      4.600     2.600     1.400 peak   171 spectrum    1 weight  0.10000E+01 volume  0.84314E-03 ppm1      7.587 ppm2      4.325 CV     1
 ASSI {  174}
   (( segid "    " and resid 113  and name HZ  ))
   (( segid "    " and resid 125  and name HB2 ))
      2.200     0.600     0.600 peak   174 spectrum    1 weight  0.10000E+01 volume  0.23622E-02 ppm1      7.577 ppm2      2.143 CV     1
 OR {  174}
   (( segid "    " and resid 113  and name HZ  ))
   (( segid "    " and resid 125  and name HB3 ))
 ASSI {  175}
   (( segid "    " and resid 113  and name HZ  ))
   (( segid "    " and resid 125  and name HG  ))
      5.000     3.100     1.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.53941E-03 ppm1      7.566 ppm2      1.823 CV     1
 ASSI {  176}
   (( segid "    " and resid 113  and name HZ  ))
   (  segid "    " and resid 105  and name HD2%)
      4.400     2.400     1.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.55860E-03 ppm1      7.573 ppm2      1.258 CV     1
 ASSI {  178}
   (( segid "    " and resid 113  and name HZ  ))
   (  segid "    " and resid 125  and name HD2%)
      3.700     1.700     1.700 peak   178 spectrum    1 weight  0.10000E+01 volume  0.81078E-03 ppm1      7.575 ppm2      0.317 CV     1
 ASSI {  180}
   (  segid "    " and resid 113  and name HD% )
   (  segid "    " and resid 108  and name HD1%)
      2.000     0.500     0.500 peak   180 spectrum    1 weight  0.10000E+01 volume  0.30427E-02 ppm1      7.282 ppm2      1.061 CV     1
 ASSI {  182}
   (  segid "    " and resid 113  and name HD% )
   (  segid "    " and resid 105  and name HD1%)
      3.000     1.100     1.100 peak   182 spectrum    1 weight  0.10000E+01 volume  0.20026E-02 ppm1      7.282 ppm2      1.392 CV     1
 ASSI {  186}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 122  and name HA1 ))
      2.700     0.900     0.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.92925E-03 ppm1      7.288 ppm2      3.738 CV     1
 OR {  186}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 122  and name HA2 ))
 ASSI {  187}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 126  and name HB2 ))
      2.900     1.100     1.100 peak   187 spectrum    1 weight  0.10000E+01 volume  0.24380E-02 ppm1      7.281 ppm2      3.253 CV     1
 OR {  187}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 126  and name HB3 ))
 ASSI {  188}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 126  and name HZ3 ))
      3.700     1.700     1.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.11094E-02 ppm1      7.278 ppm2      6.815 CV     1
 ASSI {  189}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 126  and name HN  ))
      3.800     1.800     1.800 peak   189 spectrum    1 weight  0.10000E+01 volume  0.52955E-03 ppm1      7.293 ppm2      8.881 CV     1
 ASSI {  190}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 126  and name HE3 ))
      2.800     1.000     1.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.16544E-02 ppm1      7.278 ppm2      6.242 CV     1
 ASSI {  192}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 59   and name HB3 ))
      4.300     2.300     1.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.71885E-03 ppm1      6.535 ppm2      1.700 CV     1
 OR {  192}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  194}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 60   and name HE22))
      3.600     1.700     1.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.11194E-02 ppm1      7.075 ppm2      6.394 CV     1
 ASSI {  196}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 132  and name HD2%)
      3.100     1.200     1.200 peak   196 spectrum    1 weight  0.10000E+01 volume  0.18889E-02 ppm1      7.081 ppm2      0.889 CV     1
 ASSI {  198}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 60   and name HB2 ))
      3.800     1.800     1.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.59901E-03 ppm1      7.073 ppm2      1.535 CV     1
 OR {  198}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 60   and name HB3 ))
 ASSI {  203}
   (( segid "    " and resid 56   and name HZ  ))
   (  segid "    " and resid 65   and name HG2%)
      2.900     1.000     1.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.13575E-02 ppm1      6.909 ppm2      0.314 CV     1
 ASSI {  216}
   (  segid "    " and resid 98   and name HE% )
   (  segid "    " and resid 85   and name HG2%)
      5.400     3.600     0.600 peak   216 spectrum    1 weight  0.10000E+01 volume  0.51269E-03 ppm1      6.984 ppm2      1.027 CV     1
 ASSI {  223}
   (  segid "    " and resid 98   and name HD% )
   (  segid "    " and resid 93   and name HG1%)
      2.400     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.41913E-02 ppm1      7.143 ppm2      0.297 CV     1
 ASSI {  226}
   (  segid "    " and resid 120  and name HE% )
   (( segid "    " and resid 127  and name HG3 ))
      4.600     2.600     1.400 peak   226 spectrum    1 weight  0.10000E+01 volume  0.68736E-03 ppm1      7.363 ppm2      2.522 CV     1
 OR {  226}
   (  segid "    " and resid 120  and name HE% )
   (( segid "    " and resid 127  and name HG2 ))
 ASSI {  228}
   (  segid "    " and resid 120  and name HE% )
   (  segid "    " and resid 45   and name HE% )
      3.800     1.800     1.800 peak   228 spectrum    1 weight  0.10000E+01 volume  0.52261E-03 ppm1      7.367 ppm2      2.088 CV     1
 ASSI {  229}
   (  segid "    " and resid 95   and name HD% )
   (( segid "    " and resid 78   and name HA  ))
      3.300     1.400     1.400 peak   229 spectrum    1 weight  0.10000E+01 volume  0.14588E-02 ppm1      7.303 ppm2      3.986 CV     1
 ASSI {  233}
   (  segid "    " and resid 95   and name HE% )
   (( segid "    " and resid 93   and name HB  ))
      3.000     1.100     1.100 peak   233 spectrum    1 weight  0.10000E+01 volume  0.24881E-02 ppm1      7.301 ppm2      1.723 CV     1
 OR {  233}
   (  segid "    " and resid 95   and name HD% )
   (( segid "    " and resid 93   and name HB  ))
 ASSI {  235}
   (  segid "    " and resid 95   and name HD% )
   (( segid "    " and resid 78   and name HG2 ))
      3.700     1.700     1.700 peak   235 spectrum    1 weight  0.10000E+01 volume  0.71809E-03 ppm1      7.297 ppm2      1.541 CV     1
 OR {  235}
   (  segid "    " and resid 95   and name HD% )
   (( segid "    " and resid 78   and name HG3 ))
 ASSI {  237}
   (  segid "    " and resid 95   and name HD% )
   (  segid "    " and resid 81   and name HG1%)
      2.600     0.800     0.800 peak   237 spectrum    1 weight  0.10000E+01 volume  0.67988E-02 ppm1      7.302 ppm2      0.357 CV     1
 OR {  237}
   (  segid "    " and resid 95   and name HE% )
   (  segid "    " and resid 81   and name HG1%)
 ASSI {  242}
   (  segid "    " and resid 88   and name HE% )
   (  segid "    " and resid 49   and name HD2%)
      2.900     1.000     1.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.28498E-02 ppm1      7.279 ppm2      0.856 CV     1
 ASSI {  246}
   (  segid "    " and resid 88   and name HD% )
   (( segid "    " and resid 84   and name HA  ))
      3.100     1.200     1.200 peak   246 spectrum    1 weight  0.10000E+01 volume  0.16825E-02 ppm1      7.176 ppm2      3.029 CV     1
 ASSI {  253}
   (  segid "    " and resid 53   and name HE% )
   (( segid "    " and resid 128  and name HN  ))
      4.200     2.200     1.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.65291E-03 ppm1      7.097 ppm2      7.898 CV     1
 ASSI {  259}
   (  segid "    " and resid 53   and name HE% )
   (  segid "    " and resid 124  and name HG2%)
      4.100     2.100     1.900 peak   259 spectrum    1 weight  0.10000E+01 volume  0.18898E-02 ppm1      7.098 ppm2      0.588 CV     1
 OR {  259}
   (  segid "    " and resid 53   and name HD% )
   (  segid "    " and resid 124  and name HG2%)
 ASSI {  268}
   (( segid "    " and resid 95   and name HZ  ))
   (  segid "    " and resid 82   and name HE% )
      3.800     1.800     1.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.74381E-03 ppm1      7.272 ppm2      1.835 CV     1
 ASSI {  272}
   (( segid "    " and resid 53   and name HZ  ))
   (( segid "    " and resid 50   and name HA  ))
      2.900     1.100     1.100 peak   272 spectrum    1 weight  0.10000E+01 volume  0.17582E-02 ppm1      7.258 ppm2      4.077 CV     1
 ASSI {  274}
   (( segid "    " and resid 120  and name HZ  ))
   (( segid "    " and resid 120  and name HB3 ))
      4.600     2.600     1.400 peak   274 spectrum    1 weight  0.10000E+01 volume  0.55901E-03 ppm1      7.281 ppm2      3.434 CV     1
 OR {  274}
   (( segid "    " and resid 120  and name HZ  ))
   (( segid "    " and resid 120  and name HB2 ))
 ASSI {  276}
   (( segid "    " and resid 53   and name HZ  ))
   (( segid "    " and resid 128  and name HN  ))
      3.700     1.700     1.700 peak   276 spectrum    1 weight  0.10000E+01 volume  0.79395E-03 ppm1      7.283 ppm2      7.878 CV     1
 ASSI {  277}
   (  segid "    " and resid 120  and name HE% )
   (( segid "    " and resid 124  and name HG12))
      3.300     1.400     1.400 peak   277 spectrum    1 weight  0.10000E+01 volume  0.10769E-02 ppm1      7.355 ppm2      0.892 CV     1
 OR {  277}
   (  segid "    " and resid 120  and name HE% )
   (( segid "    " and resid 124  and name HG13))
 ASSI {  278}
   (  segid "    " and resid 120  and name HE% )
   (  segid "    " and resid 124  and name HD1%)
      3.600     1.600     1.600 peak   278 spectrum    1 weight  0.10000E+01 volume  0.84547E-03 ppm1      7.357 ppm2      0.552 CV     1
 ASSI {  279}
   (  segid "    " and resid 53   and name HD% )
   (( segid "    " and resid 53   and name HA  ))
      2.200     0.600     0.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.27443E-02 ppm1      7.098 ppm2      4.926 CV     1
 ASSI {  289}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HA  ))
      4.300     2.300     1.700 peak   289 spectrum    1 weight  0.10000E+01 volume  0.67853E-03 ppm1      7.078 ppm2      3.496 CV     1
 ASSI {  290}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 56   and name HD% )
      2.500     0.800     0.800 peak   290 spectrum    1 weight  0.10000E+01 volume  0.33788E-02 ppm1      7.075 ppm2      6.529 CV     1
 ASSI {  292}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HZ  ))
      2.300     0.600     0.600 peak   292 spectrum    1 weight  0.10000E+01 volume  0.59898E-02 ppm1      7.068 ppm2      6.887 CV     1
 ASSI {  293}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 72   and name HH2 ))
      3.700     1.700     1.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.70671E-03 ppm1      7.073 ppm2      5.796 CV     1
 ASSI {  294}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 80   and name HD1 ))
      3.700     1.700     1.700 peak   294 spectrum    1 weight  0.10000E+01 volume  0.96947E-03 ppm1      7.070 ppm2      6.040 CV     1
 ASSI {  297}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.100     0.500     0.500 peak   297 spectrum    1 weight  0.10000E+01 volume  0.41347E-02 ppm1      6.353 ppm2      5.812 CV     1
 ASSI {  300}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HE1 ))
      2.100     0.500     0.500 peak   300 spectrum    1 weight  0.10000E+01 volume  0.51494E-02 ppm1      6.353 ppm2      9.955 CV     1
 ASSI {  305}
   (( segid "    " and resid 72   and name HE3 ))
   (( segid "    " and resid 72   and name HH2 ))
      3.500     1.600     1.600 peak   305 spectrum    1 weight  0.10000E+01 volume  0.99161E-03 ppm1      7.252 ppm2      5.800 CV     1
 ASSI {  306}
   (( segid "    " and resid 72   and name HE3 ))
   (( segid "    " and resid 72   and name HZ3 ))
      2.200     0.600     0.600 peak   306 spectrum    1 weight  0.10000E+01 volume  0.41282E-02 ppm1      7.253 ppm2      6.135 CV     1
 ASSI {  311}
   (( segid "    " and resid 72   and name HH2 ))
   (( segid "    " and resid 72   and name HZ3 ))
      2.200     0.600     0.600 peak   311 spectrum    1 weight  0.10000E+01 volume  0.45464E-02 ppm1      5.802 ppm2      6.140 CV     1
 ASSI {  312}
   (( segid "    " and resid 72   and name HZ2 ))
   (( segid "    " and resid 72   and name HD1 ))
      2.300     2.300     3.700 peak   312 spectrum    1 weight  0.10000E+01 volume  0.15276E-02 ppm1      6.977 ppm2      6.375 CV     1
 ASSI {  314}
   (( segid "    " and resid 72   and name HZ2 ))
   (( segid "    " and resid 72   and name HH2 ))
      2.100     0.500     0.500 peak   314 spectrum    1 weight  0.10000E+01 volume  0.56681E-02 ppm1      6.978 ppm2      5.797 CV     1
 ASSI {  316}
   (( segid "    " and resid 72   and name HZ2 ))
   (( segid "    " and resid 72   and name HZ3 ))
      3.700     1.700     1.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.10227E-02 ppm1      6.979 ppm2      6.127 CV     1
 ASSI {  333}
   (( segid "    " and resid 80   and name HD1 ))
   (( segid "    " and resid 80   and name HE1 ))
      2.200     0.600     0.600 peak   333 spectrum    1 weight  0.10000E+01 volume  0.52700E-02 ppm1      6.039 ppm2     11.690 CV     1
 ASSI {  335}
   (( segid "    " and resid 80   and name HE3 ))
   (( segid "    " and resid 80   and name HZ3 ))
      2.500     0.800     0.800 peak   335 spectrum    1 weight  0.10000E+01 volume  0.23126E-02 ppm1      8.082 ppm2      7.097 CV     1
 ASSI {  336}
   (( segid "    " and resid 80   and name HH2 ))
   (( segid "    " and resid 80   and name HE3 ))
      3.300     1.400     1.400 peak   336 spectrum    1 weight  0.10000E+01 volume  0.17179E-02 ppm1      7.123 ppm2      8.093 CV     1
 ASSI {  338}
   (( segid "    " and resid 80   and name HH2 ))
   (( segid "    " and resid 80   and name HZ2 ))
      2.000     0.500     0.500 peak   338 spectrum    1 weight  0.10000E+01 volume  0.60917E-02 ppm1      7.123 ppm2      7.789 CV     1
 ASSI {  339}
   (( segid "    " and resid 80   and name HZ2 ))
   (( segid "    " and resid 80   and name HE1 ))
      2.600     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.20640E-02 ppm1      7.789 ppm2     11.703 CV     1
 ASSI {  340}
   (( segid "    " and resid 80   and name HZ2 ))
   (( segid "    " and resid 80   and name HE3 ))
      3.100     3.100     2.900 peak   340 spectrum    1 weight  0.10000E+01 volume  0.14769E-02 ppm1      7.789 ppm2      8.079 CV     1
 ASSI {  344}
   (( segid "    " and resid 80   and name HZ3 ))
   (( segid "    " and resid 80   and name HZ2 ))
      3.300     1.400     1.400 peak   344 spectrum    1 weight  0.10000E+01 volume  0.17896E-02 ppm1      7.100 ppm2      7.786 CV     1
 ASSI {  346}
   (( segid "    " and resid 83   and name HD1 ))
   (( segid "    " and resid 83   and name HA  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.36916E-02 ppm1      7.364 ppm2      4.143 CV     1
 ASSI {  350}
   (( segid "    " and resid 83   and name HD1 ))
   (( segid "    " and resid 83   and name HE1 ))
      2.200     0.600     0.600 peak   350 spectrum    1 weight  0.10000E+01 volume  0.12137E-01 ppm1      7.364 ppm2     10.273 CV     1
 ASSI {  352}
   (( segid "    " and resid 83   and name HH2 ))
   (( segid "    " and resid 83   and name HZ2 ))
      1.900     1.900     4.100 peak   352 spectrum    1 weight  0.10000E+01 volume  0.89984E-02 ppm1      7.160 ppm2      7.350 CV     1
 ASSI {  360}
   (  segid "    " and resid 88   and name HD% )
   (( segid "    " and resid 88   and name HN  ))
      3.000     1.100     1.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.17974E-02 ppm1      7.172 ppm2      7.800 CV     1
 ASSI {  364}
   (  segid "    " and resid 95   and name HD% )
   (( segid "    " and resid 95   and name HA  ))
      2.500     0.800     0.800 peak   364 spectrum    1 weight  0.10000E+01 volume  0.38805E-02 ppm1      7.301 ppm2      4.151 CV     1
 ASSI {  368}
   (  segid "    " and resid 95   and name HD% )
   (( segid "    " and resid 95   and name HN  ))
      2.900     1.100     1.100 peak   368 spectrum    1 weight  0.10000E+01 volume  0.26837E-02 ppm1      7.302 ppm2      8.505 CV     1
 ASSI {  374}
   (  segid "    " and resid 98   and name HD% )
   (( segid "    " and resid 98   and name HZ  ))
      3.000     1.100     1.100 peak   374 spectrum    1 weight  0.10000E+01 volume  0.39675E-02 ppm1      7.143 ppm2      6.633 CV     1
 ASSI {  375}
   (  segid "    " and resid 98   and name HD% )
   (  segid "    " and resid 113  and name HE% )
      3.300     1.400     1.400 peak   375 spectrum    1 weight  0.10000E+01 volume  0.20996E-02 ppm1      7.146 ppm2      7.789 CV     1
 ASSI {  376}
   (  segid "    " and resid 98   and name HD% )
   (( segid "    " and resid 113  and name HZ  ))
      3.400     1.500     1.500 peak   376 spectrum    1 weight  0.10000E+01 volume  0.14385E-02 ppm1      7.147 ppm2      7.556 CV     1
 ASSI {  377}
   (  segid "    " and resid 98   and name HE% )
   (( segid "    " and resid 98   and name HA  ))
      3.800     1.800     1.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.86195E-03 ppm1      6.991 ppm2      4.403 CV     1
 ASSI {  380}
   (  segid "    " and resid 98   and name HE% )
   (  segid "    " and resid 98   and name HD% )
      1.600     0.300     0.600 peak   380 spectrum    1 weight  0.10000E+01 volume  0.38357E-01 ppm1      6.986 ppm2      7.140 CV     1
 ASSI {  383}
   (  segid "    " and resid 98   and name HE% )
   (  segid "    " and resid 113  and name HE% )
      3.100     1.200     1.200 peak   383 spectrum    1 weight  0.10000E+01 volume  0.64969E-03 ppm1      6.982 ppm2      7.763 CV     1
 ASSI {  384}
   (  segid "    " and resid 98   and name HE% )
   (( segid "    " and resid 113  and name HZ  ))
      2.700     0.900     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.89713E-03 ppm1      6.985 ppm2      7.568 CV     1
 ASSI {  386}
   (( segid "    " and resid 98   and name HZ  ))
   (  segid "    " and resid 98   and name HE% )
      2.100     0.500     0.500 peak   386 spectrum    1 weight  0.10000E+01 volume  0.73436E-02 ppm1      6.636 ppm2      6.988 CV     1
 ASSI {  390}
   (  segid "    " and resid 113  and name HD% )
   (  segid "    " and resid 113  and name HE% )
      1.800     0.400     0.400 peak   390 spectrum    1 weight  0.10000E+01 volume  0.84515E-02 ppm1      7.282 ppm2      7.786 CV     1
 ASSI {  392}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 114  and name HA  ))
      2.700     0.900     0.900 peak   392 spectrum    1 weight  0.10000E+01 volume  0.44493E-02 ppm1      7.279 ppm2      3.958 CV     1
 ASSI {  395}
   (  segid "    " and resid 113  and name HE% )
   (( segid "    " and resid 113  and name HZ  ))
      1.800     0.400     0.400 peak   395 spectrum    1 weight  0.10000E+01 volume  0.10068E-01 ppm1      7.790 ppm2      7.582 CV     1
 ASSI {  397}
   (  segid "    " and resid 113  and name HE% )
   (( segid "    " and resid 126  and name HN  ))
      2.900     1.100     1.100 peak   397 spectrum    1 weight  0.10000E+01 volume  0.21507E-02 ppm1      7.790 ppm2      8.901 CV     1
 ASSI {  398}
   (( segid "    " and resid 113  and name HZ  ))
   (  segid "    " and resid 113  and name HD% )
      3.400     1.400     1.400 peak   398 spectrum    1 weight  0.10000E+01 volume  0.12701E-02 ppm1      7.576 ppm2      7.286 CV     1
 ASSI {  402}
   (  segid "    " and resid 120  and name HD% )
   (( segid "    " and resid 120  and name HA  ))
      2.500     0.800     0.800 peak   402 spectrum    1 weight  0.10000E+01 volume  0.35458E-02 ppm1      7.276 ppm2      4.381 CV     1
 ASSI {  403}
   (  segid "    " and resid 120  and name HD% )
   (( segid "    " and resid 120  and name HB3 ))
      2.500     0.800     0.800 peak   403 spectrum    1 weight  0.10000E+01 volume  0.56421E-02 ppm1      7.276 ppm2      3.430 CV     1
 OR {  403}
   (  segid "    " and resid 120  and name HD% )
   (( segid "    " and resid 120  and name HB2 ))
 ASSI {  405}
   (  segid "    " and resid 120  and name HD% )
   (( segid "    " and resid 120  and name HN  ))
      4.300     2.300     1.700 peak   405 spectrum    1 weight  0.10000E+01 volume  0.13731E-02 ppm1      7.278 ppm2      8.623 CV     1
 ASSI {  406}
   (  segid "    " and resid 120  and name HE% )
   (( segid "    " and resid 120  and name HA  ))
      4.200     2.200     1.800 peak   406 spectrum    1 weight  0.10000E+01 volume  0.21930E-02 ppm1      7.367 ppm2      4.370 CV     1
 ASSI {  407}
   (  segid "    " and resid 120  and name HE% )
   (( segid "    " and resid 120  and name HB3 ))
      3.500     1.500     1.500 peak   407 spectrum    1 weight  0.10000E+01 volume  0.37273E-02 ppm1      7.360 ppm2      3.428 CV     1
 OR {  407}
   (  segid "    " and resid 120  and name HE% )
   (( segid "    " and resid 120  and name HB2 ))
 ASSI {  411}
   (( segid "    " and resid 126  and name HD1 ))
   (( segid "    " and resid 126  and name HE1 ))
      2.400     0.700     0.700 peak   411 spectrum    1 weight  0.10000E+01 volume  0.95564E-02 ppm1      7.094 ppm2      9.813 CV     1
 ASSI {  413}
   (( segid "    " and resid 126  and name HD1 ))
   (( segid "    " and resid 126  and name HN  ))
      4.800     2.900     1.200 peak   413 spectrum    1 weight  0.10000E+01 volume  0.65768E-03 ppm1      7.097 ppm2      8.910 CV     1
 ASSI {  414}
   (( segid "    " and resid 126  and name HD1 ))
   (( segid "    " and resid 126  and name HZ2 ))
      4.200     2.300     1.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.12149E-02 ppm1      7.090 ppm2      7.329 CV     1
 ASSI {  415}
   (( segid "    " and resid 126  and name HD1 ))
   (( segid "    " and resid 127  and name HN  ))
      3.300     1.400     1.400 peak   415 spectrum    1 weight  0.10000E+01 volume  0.14565E-02 ppm1      7.095 ppm2      7.935 CV     1
 ASSI {  419}
   (( segid "    " and resid 126  and name HH2 ))
   (( segid "    " and resid 126  and name HE3 ))
      4.200     2.300     1.800 peak   419 spectrum    1 weight  0.10000E+01 volume  0.75379E-03 ppm1      7.120 ppm2      6.247 CV     1
 ASSI {  421}
   (( segid "    " and resid 126  and name HH2 ))
   (( segid "    " and resid 126  and name HZ2 ))
      2.300     0.600     0.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.11815E-01 ppm1      7.124 ppm2      7.350 CV     1
 ASSI {  422}
   (( segid "    " and resid 126  and name HH2 ))
   (( segid "    " and resid 126  and name HZ3 ))
      2.400     0.700     0.700 peak   422 spectrum    1 weight  0.10000E+01 volume  0.57378E-02 ppm1      7.124 ppm2      6.805 CV     1
 ASSI {  423}
   (( segid "    " and resid 126  and name HZ2 ))
   (( segid "    " and resid 126  and name HE1 ))
      2.700     0.900     0.900 peak   423 spectrum    1 weight  0.10000E+01 volume  0.47117E-02 ppm1      7.353 ppm2      9.813 CV     1
 ASSI {  426}
   (( segid "    " and resid 126  and name HZ2 ))
   (( segid "    " and resid 126  and name HZ3 ))
      4.000     2.000     2.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.16473E-02 ppm1      7.359 ppm2      6.805 CV     1
 ASSI {  427}
   (( segid "    " and resid 126  and name HZ3 ))
   (( segid "    " and resid 126  and name HE3 ))
      2.600     0.800     0.800 peak   427 spectrum    1 weight  0.10000E+01 volume  0.24835E-02 ppm1      6.804 ppm2      6.228 CV     1
 ASSI {    2}
   (  segid "    " and resid 32   and name HB% )
   (( segid "    " and resid 32   and name HA  ))
      2.600     0.800     0.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.46740E-02 ppm1      1.388 ppm2      4.354 CV     1
 ASSI {    4}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
      3.100     1.200     1.200 peak     4 spectrum    1 weight  0.10000E+01 volume  0.18832E-02 ppm1      2.929 ppm2      4.469 CV     1
 OR {    4}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {    5}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 106  and name HA  ))
      3.100     3.100     2.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.69948E-02 ppm1      4.465 ppm2      3.982 CV     1
 ASSI {    6}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.300     0.700     0.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.83916E-02 ppm1      4.466 ppm2      3.901 CV     1
 OR {    6}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
 ASSI {    8}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 44   and name HE% )
      3.100     1.200     1.200 peak     8 spectrum    1 weight  0.10000E+01 volume  0.16974E-02 ppm1      4.463 ppm2      2.077 CV     1
 ASSI {   13}
   (( segid "    " and resid 136  and name HA  ))
   (( segid "    " and resid 136  and name HN  ))
      3.000     1.100     1.100 peak    13 spectrum    1 weight  0.10000E+01 volume  0.20448E-02 ppm1      4.604 ppm2      8.308 CV     1
 ASSI {   17}
   (( segid "    " and resid 136  and name HA  ))
   (( segid "    " and resid 135  and name HB3 ))
      3.700     1.700     1.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.97006E-03 ppm1      4.614 ppm2      1.955 CV     1
 OR {   17}
   (( segid "    " and resid 136  and name HA  ))
   (( segid "    " and resid 135  and name HB2 ))
 ASSI {   21}
   (( segid "    " and resid 136  and name HB2 ))
   (( segid "    " and resid 136  and name HN  ))
      3.300     1.300     1.300 peak    21 spectrum    1 weight  0.10000E+01 volume  0.13237E-02 ppm1      2.541 ppm2      8.313 CV     1
 OR {   21}
   (( segid "    " and resid 136  and name HB3 ))
   (( segid "    " and resid 136  and name HN  ))
 ASSI {   33}
   (  segid "    " and resid 34   and name HG1%)
   (( segid "    " and resid 34   and name HA  ))
      2.800     0.900     0.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.32539E-02 ppm1      0.963 ppm2      4.401 CV     1
 ASSI {   34}
   (  segid "    " and resid 34   and name HG1%)
   (( segid "    " and resid 35   and name HD3 ))
      3.500     1.500     1.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.16987E-02 ppm1      0.963 ppm2      3.671 CV     1
 OR {   34}
   (  segid "    " and resid 34   and name HG1%)
   (( segid "    " and resid 35   and name HD2 ))
 ASSI {   35}
   (  segid "    " and resid 34   and name HG1%)
   (( segid "    " and resid 34   and name HB  ))
      2.500     0.800     0.800 peak    35 spectrum    1 weight  0.10000E+01 volume  0.43547E-02 ppm1      0.959 ppm2      2.079 CV     1
 ASSI {   36}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      2.800     1.000     1.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.27054E-02 ppm1      0.932 ppm2      4.401 CV     1
 ASSI {   40}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.200     0.600     0.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.89447E-02 ppm1      4.402 ppm2      8.203 CV     1
 ASSI {   41}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB3 ))
      2.800     1.000     1.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.20017E-02 ppm1      4.402 ppm2      1.865 CV     1
 OR {   41}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {   42}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 30   and name HG3 ))
      2.600     2.600     3.400 peak    42 spectrum    1 weight  0.10000E+01 volume  0.53139E-02 ppm1      4.403 ppm2      2.275 CV     1
 OR {   42}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {   43}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HG3 ))
      3.600     1.600     1.600 peak    43 spectrum    1 weight  0.10000E+01 volume  0.17371E-02 ppm1      4.404 ppm2      2.000 CV     1
 OR {   43}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HG2 ))
 ASSI {   46}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 30   and name HG3 ))
      2.100     2.100     3.900 peak    46 spectrum    1 weight  0.10000E+01 volume  0.28712E-01 ppm1      1.865 ppm2      2.273 CV     1
 OR {   46}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {   46}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {   47}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HG2 ))
      2.000     0.500     0.500 peak    47 spectrum    1 weight  0.10000E+01 volume  0.17563E-01 ppm1      1.864 ppm2      1.976 CV     1
 OR {   47}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HG3 ))
 OR {   47}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HG3 ))
 ASSI {   48}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HD3 ))
      3.600     1.600     1.600 peak    48 spectrum    1 weight  0.10000E+01 volume  0.15341E-02 ppm1      1.861 ppm2      3.667 CV     1
 OR {   48}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HD3 ))
 OR {   48}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HD2 ))
 ASSI {   65}
   (( segid "    " and resid 118  and name HG2 ))
   (  segid "    " and resid 121  and name HG2%)
      3.000     1.100     1.100 peak    65 spectrum    1 weight  0.10000E+01 volume  0.11237E-02 ppm1      1.999 ppm2      1.092 CV     1
 OR {   65}
   (( segid "    " and resid 118  and name HG3 ))
   (  segid "    " and resid 121  and name HG2%)
 ASSI {   71}
   (( segid "    " and resid 118  and name HG3 ))
   (( segid "    " and resid 118  and name HD3 ))
      2.500     0.800     0.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.26226E-02 ppm1      2.000 ppm2      3.156 CV     1
 OR {   71}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HD3 ))
 OR {   71}
   (( segid "    " and resid 118  and name HG3 ))
   (( segid "    " and resid 118  and name HD2 ))
 ASSI {   77}
   (( segid "    " and resid 35   and name HD3 ))
   (  segid "    " and resid 34   and name HG1%)
      3.600     1.700     1.700 peak    77 spectrum    1 weight  0.10000E+01 volume  0.13506E-02 ppm1      3.672 ppm2      0.956 CV     1
 OR {   77}
   (( segid "    " and resid 35   and name HD2 ))
   (  segid "    " and resid 34   and name HG2%)
 OR {   77}
   (( segid "    " and resid 35   and name HD2 ))
   (  segid "    " and resid 34   and name HG1%)
 ASSI {   82}
   (( segid "    " and resid 35   and name HD3 ))
   (( segid "    " and resid 34   and name HB  ))
      3.600     1.600     1.600 peak    82 spectrum    1 weight  0.10000E+01 volume  0.17618E-02 ppm1      3.670 ppm2      2.079 CV     1
 OR {   82}
   (( segid "    " and resid 35   and name HD2 ))
   (( segid "    " and resid 34   and name HB  ))
 ASSI {   89}
   (( segid "    " and resid 35   and name HD2 ))
   (( segid "    " and resid 34   and name HA  ))
      2.200     0.600     0.600 peak    89 spectrum    1 weight  0.10000E+01 volume  0.71381E-02 ppm1      3.673 ppm2      4.400 CV     1
 OR {   89}
   (( segid "    " and resid 35   and name HD3 ))
   (( segid "    " and resid 34   and name HA  ))
 ASSI {   95}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak    95 spectrum    1 weight  0.10000E+01 volume  0.14015E-02 ppm1      1.581 ppm2      4.327 CV     1
 OR {   95}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {   99}
   (( segid "    " and resid 37   and name HG  ))
   (  segid "    " and resid 37   and name HD1%)
      2.200     0.600     0.600 peak    99 spectrum    1 weight  0.10000E+01 volume  0.10332E-01 ppm1      1.586 ppm2      0.914 CV     1
 ASSI {  100}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.100     1.100 peak   100 spectrum    1 weight  0.10000E+01 volume  0.31400E-02 ppm1      0.884 ppm2      4.328 CV     1
 ASSI {  103}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
      3.300     1.300     1.300 peak   103 spectrum    1 weight  0.10000E+01 volume  0.22128E-02 ppm1      4.306 ppm2      0.910 CV     1
 OR {  103}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  104}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 37   and name HD2%)
      3.700     3.700     2.300 peak   104 spectrum    1 weight  0.10000E+01 volume  0.12563E-02 ppm1      4.304 ppm2      0.841 CV     1
 ASSI {  105}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 77   and name HG2%)
      3.600     3.600     2.400 peak   105 spectrum    1 weight  0.10000E+01 volume  0.19307E-02 ppm1      4.447 ppm2      1.648 CV     1
 ASSI {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.500     0.800     0.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.52150E-02 ppm1      4.447 ppm2      1.576 CV     1
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB3 ))
 ASSI {  108}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB3 ))
      2.600     0.800     0.800 peak   108 spectrum    1 weight  0.10000E+01 volume  0.34596E-02 ppm1      4.447 ppm2      2.043 CV     1
 OR {  108}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  109}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.000     1.100     1.100 peak   109 spectrum    1 weight  0.10000E+01 volume  0.71194E-02 ppm1      4.447 ppm2      2.308 CV     1
 OR {  109}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG3 ))
 ASSI {  110}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.300     3.300     2.700 peak   110 spectrum    1 weight  0.10000E+01 volume  0.59351E-02 ppm1      4.447 ppm2      2.481 CV     1
 OR {  110}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 68   and name HB3 ))
 ASSI {  111}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.000     1.100     1.100 peak   111 spectrum    1 weight  0.10000E+01 volume  0.19856E-02 ppm1      4.447 ppm2      8.190 CV     1
 ASSI {  113}
   (( segid "    " and resid 37   and name HG  ))
   (( segid "    " and resid 37   and name HN  ))
      3.600     1.600     1.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.78103E-03 ppm1      1.593 ppm2      8.175 CV     1
 ASSI {  114}
   (( segid "    " and resid 37   and name HG  ))
   (( segid "    " and resid 37   and name HA  ))
      3.500     1.600     1.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.84236E-03 ppm1      1.592 ppm2      4.436 CV     1
 ASSI {  117}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 45   and name HB2 ))
      3.900     1.900     1.900 peak   117 spectrum    1 weight  0.10000E+01 volume  0.10063E-02 ppm1      0.864 ppm2      2.098 CV     1
 OR {  117}
   (  segid "    " and resid 49   and name HD2%)
   (  segid "    " and resid 45   and name HE% )
 OR {  117}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 45   and name HB3 ))
 ASSI {  119}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
      2.000     0.500     0.500 peak   119 spectrum    1 weight  0.10000E+01 volume  0.82639E-02 ppm1      0.868 ppm2      4.136 CV     1
 ASSI {  121}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 37   and name HA  ))
      2.700     0.900     0.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.49819E-02 ppm1      0.858 ppm2      4.443 CV     1
 ASSI {  124}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      2.300     0.700     0.700 peak   124 spectrum    1 weight  0.10000E+01 volume  0.56795E-02 ppm1      4.610 ppm2      4.229 CV     1
 ASSI {  126}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HD2 ))
      2.100     0.600     0.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.84434E-02 ppm1      4.611 ppm2      3.741 CV     1
 OR {  126}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HD3 ))
 ASSI {  129}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.100     1.200     1.200 peak   129 spectrum    1 weight  0.10000E+01 volume  0.11660E-02 ppm1      4.611 ppm2      8.103 CV     1
 ASSI {  133}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HD3 ))
      3.100     1.200     1.200 peak   133 spectrum    1 weight  0.10000E+01 volume  0.45851E-02 ppm1      4.226 ppm2      3.739 CV     1
 OR {  133}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HD2 ))
 ASSI {  135}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      3.700     1.700     1.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.76972E-03 ppm1      4.225 ppm2      8.108 CV     1
 ASSI {  136}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 44   and name HE% )
      4.500     2.500     1.500 peak   136 spectrum    1 weight  0.10000E+01 volume  0.61383E-03 ppm1      4.613 ppm2      2.099 CV     1
 ASSI {  139}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HD3 ))
      3.600     1.700     1.700 peak   139 spectrum    1 weight  0.10000E+01 volume  0.22815E-02 ppm1      1.240 ppm2      3.739 CV     1
 OR {  139}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HD2 ))
 ASSI {  140}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      2.500     0.800     0.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.56998E-02 ppm1      1.239 ppm2      4.610 CV     1
 ASSI {  141}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HA  ))
      4.000     2.000     2.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.92361E-03 ppm1      1.238 ppm2      4.430 CV     1
 ASSI {  142}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.100     0.500     0.500 peak   142 spectrum    1 weight  0.10000E+01 volume  0.17255E-01 ppm1      1.239 ppm2      4.235 CV     1
 ASSI {  143}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      3.300     1.300     1.300 peak   143 spectrum    1 weight  0.10000E+01 volume  0.11553E-02 ppm1      1.239 ppm2      8.105 CV     1
 ASSI {  146}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 38   and name HA  ))
      3.700     1.800     1.800 peak   146 spectrum    1 weight  0.10000E+01 volume  0.64237E-03 ppm1      4.418 ppm2      4.616 CV     1
 ASSI {  147}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.000     1.200     1.200 peak   147 spectrum    1 weight  0.10000E+01 volume  0.90266E-03 ppm1      4.419 ppm2      8.357 CV     1
 ASSI {  150}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
      4.000     2.000     2.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.10346E-02 ppm1      4.420 ppm2      3.921 CV     1
 OR {  150}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  152}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
      2.500     0.800     0.800 peak   152 spectrum    1 weight  0.10000E+01 volume  0.88553E-02 ppm1      4.420 ppm2      2.323 CV     1
 OR {  152}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 43   and name HG3 ))
 ASSI {  155}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.400     0.700     0.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.47632E-02 ppm1      4.420 ppm2      1.963 CV     1
 OR {  155}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
 OR {  155}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG3 ))
 ASSI {  156}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      4.200     2.200     1.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.10212E-02 ppm1      4.421 ppm2      1.823 CV     1
 OR {  156}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  157}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 43   and name HG2 ))
      1.800     0.400     0.400 peak   157 spectrum    1 weight  0.10000E+01 volume  0.27376E-01 ppm1      1.946 ppm2      2.324 CV     1
 OR {  157}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR {  157}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 43   and name HG3 ))
 ASSI {  160}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HD2 ))
      3.400     1.500     1.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.17044E-02 ppm1      1.946 ppm2      3.741 CV     1
 OR {  160}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HD3 ))
 OR {  160}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HD2 ))
 ASSI {  163}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HD3 ))
      2.500     0.800     0.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.75411E-02 ppm1      1.945 ppm2      1.562 CV     1
 OR {  163}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HD2 ))
 OR {  163}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HD2 ))
 OR {  163}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HD3 ))
 ASSI {  165}
   (( segid "    " and resid 39   and name HB3 ))
   (  segid "    " and resid 44   and name HE% )
      2.300     0.700     0.700 peak   165 spectrum    1 weight  0.10000E+01 volume  0.73791E-02 ppm1      1.943 ppm2      2.103 CV     1
 OR {  165}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 44   and name HE% )
 ASSI {  168}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
      2.700     0.900     0.900 peak   168 spectrum    1 weight  0.10000E+01 volume  0.24943E-02 ppm1      1.946 ppm2      6.970 CV     1
 OR {  168}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI {  174}
   (( segid "    " and resid 118  and name HG2 ))
   (  segid "    " and resid 121  and name HG1%)
      4.200     2.200     1.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.63809E-03 ppm1      1.998 ppm2      0.838 CV     1
 OR {  174}
   (( segid "    " and resid 118  and name HG3 ))
   (  segid "    " and resid 121  and name HG1%)
 ASSI {  178}
   (( segid "    " and resid 118  and name HG3 ))
   (( segid "    " and resid 117  and name HA  ))
      4.700     2.800     1.300 peak   178 spectrum    1 weight  0.10000E+01 volume  0.70658E-03 ppm1      1.995 ppm2      4.892 CV     1
 OR {  178}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 117  and name HA  ))
 ASSI {  181}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HA  ))
      3.500     1.500     1.500 peak   181 spectrum    1 weight  0.10000E+01 volume  0.70934E-03 ppm1      3.739 ppm2      4.420 CV     1
 OR {  181}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  188}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 43   and name HG2 ))
      3.600     1.600     1.600 peak   188 spectrum    1 weight  0.10000E+01 volume  0.11023E-02 ppm1      3.739 ppm2      2.323 CV     1
 OR {  188}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 43   and name HG3 ))
 ASSI {  191}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HG3 ))
      2.600     0.800     0.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.37677E-02 ppm1      3.737 ppm2      1.973 CV     1
 OR {  191}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HG2 ))
 OR {  191}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HG2 ))
 OR {  191}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HG3 ))
 ASSI {  195}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.500     0.800     0.800 peak   195 spectrum    1 weight  0.10000E+01 volume  0.61969E-02 ppm1      4.424 ppm2      3.927 CV     1
 OR {  195}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB3 ))
 ASSI {  207}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 44   and name HE% )
      4.300     2.300     1.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.77336E-03 ppm1      3.919 ppm2      2.097 CV     1
 OR {  207}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 44   and name HE% )
 ASSI {  208}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 120  and name HE% )
      3.000     1.100     1.100 peak   208 spectrum    1 weight  0.10000E+01 volume  0.12840E-02 ppm1      4.179 ppm2      7.341 CV     1
 ASSI {  215}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG2 ))
      3.200     1.200     1.200 peak   215 spectrum    1 weight  0.10000E+01 volume  0.10479E-02 ppm1      4.172 ppm2      1.659 CV     1
 OR {  215}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG3 ))
 ASSI {  216}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.300     0.600     0.600 peak   216 spectrum    1 weight  0.10000E+01 volume  0.80235E-02 ppm1      4.170 ppm2      1.831 CV     1
 OR {  216}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
 ASSI {  217}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.500     0.800     0.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.45041E-02 ppm1      4.174 ppm2      2.134 CV     1
 OR {  217}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI {  223}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HD3 ))
      2.400     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.67953E-02 ppm1      1.846 ppm2      1.440 CV     1
 OR {  223}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HD2 ))
 OR {  223}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HD2 ))
 OR {  223}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HD3 ))
 ASSI {  232}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 120  and name HE% )
      4.300     2.300     1.700 peak   232 spectrum    1 weight  0.10000E+01 volume  0.65427E-03 ppm1      1.842 ppm2      7.390 CV     1
 OR {  232}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 120  and name HE% )
 ASSI {  237}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 72   and name HE1 ))
      2.800     1.000     1.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.13044E-02 ppm1      1.828 ppm2      9.960 CV     1
 OR {  237}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 72   and name HE1 ))
 ASSI {  239}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 97   and name HD2 ))
      2.400     0.700     0.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.34582E-02 ppm1      1.687 ppm2      1.319 CV     1
 OR {  239}
   (( segid "    " and resid 97   and name HG2 ))
   (( segid "    " and resid 97   and name HD3 ))
 OR {  239}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 97   and name HD3 ))
 ASSI {  242}
   (( segid "    " and resid 97   and name HG2 ))
   (( segid "    " and resid 97   and name HA  ))
      2.600     0.800     0.800 peak   242 spectrum    1 weight  0.10000E+01 volume  0.32411E-02 ppm1      1.685 ppm2      3.990 CV     1
 OR {  242}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 97   and name HA  ))
 ASSI {  244}
   (( segid "    " and resid 97   and name HG2 ))
   (( segid "    " and resid 97   and name HN  ))
      3.900     1.900     1.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.13619E-02 ppm1      1.667 ppm2      7.534 CV     1
 OR {  244}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 97   and name HN  ))
 ASSI {  252}
   (( segid "    " and resid 67   and name HD3 ))
   (( segid "    " and resid 67   and name HA  ))
      3.600     1.600     1.600 peak   252 spectrum    1 weight  0.10000E+01 volume  0.17746E-02 ppm1      1.421 ppm2      3.897 CV     1
 OR {  252}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI {  261}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 42   and name HG3 ))
      4.100     2.100     1.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.68771E-03 ppm1      2.046 ppm2      1.689 CV     1
 OR {  261}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 42   and name HG3 ))
 OR {  261}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 42   and name HG2 ))
 OR {  261}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI {  262}
   (( segid "    " and resid 115  and name HB3 ))
   (( segid "    " and resid 116  and name HG  ))
      3.400     1.500     1.500 peak   262 spectrum    1 weight  0.10000E+01 volume  0.97085E-03 ppm1      2.049 ppm2      1.581 CV     1
 OR {  262}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 116  and name HG  ))
 ASSI {  264}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 47   and name HG2 ))
      2.600     2.600     3.400 peak   264 spectrum    1 weight  0.10000E+01 volume  0.53705E-02 ppm1      2.054 ppm2      2.507 CV     1
 OR {  264}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 47   and name HG2 ))
 OR {  264}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 47   and name HG3 ))
 ASSI {  273}
   (( segid "    " and resid 115  and name HB3 ))
   (( segid "    " and resid 114  and name HN  ))
      4.100     2.100     1.900 peak   273 spectrum    1 weight  0.10000E+01 volume  0.89000E-03 ppm1      2.050 ppm2      8.454 CV     1
 OR {  273}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 114  and name HN  ))
 ASSI {  277}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HB3 ))
      1.600     0.300     0.600 peak   277 spectrum    1 weight  0.10000E+01 volume  0.57242E-01 ppm1      2.304 ppm2      2.035 CV     1
 OR {  277}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  277}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HB3 ))
 OR {  277}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  280}
   (( segid "    " and resid 30   and name HG3 ))
   (  segid "    " and resid 34   and name HG1%)
      4.100     2.100     1.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.60492E-03 ppm1      2.302 ppm2      0.979 CV     1
 OR {  280}
   (( segid "    " and resid 30   and name HG2 ))
   (  segid "    " and resid 34   and name HG1%)
 ASSI {  281}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 46   and name HB3 ))
      3.500     1.500     1.500 peak   281 spectrum    1 weight  0.10000E+01 volume  0.10558E-02 ppm1      2.298 ppm2      3.947 CV     1
 OR {  281}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  281}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  281}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  285}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG3 ))
      2.600     0.800     0.800 peak   285 spectrum    1 weight  0.10000E+01 volume  0.45653E-02 ppm1      4.190 ppm2      2.306 CV     1
 OR {  285}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI {  286}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.100     0.600     0.600 peak   286 spectrum    1 weight  0.10000E+01 volume  0.96128E-02 ppm1      4.190 ppm2      2.055 CV     1
 OR {  286}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB3 ))
 ASSI {  294}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HB% )
      2.300     0.600     0.600 peak   294 spectrum    1 weight  0.10000E+01 volume  0.44455E-02 ppm1      4.376 ppm2      1.479 CV     1
 ASSI {  295}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 49   and name HD1%)
      3.800     1.800     1.800 peak   295 spectrum    1 weight  0.10000E+01 volume  0.20944E-02 ppm1      4.381 ppm2      0.876 CV     1
 OR {  295}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 49   and name HD2%)
 ASSI {  299}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
      3.000     1.100     1.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.13903E-02 ppm1      4.375 ppm2      2.480 CV     1
 OR {  299}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HG3 ))
 ASSI {  304}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 90   and name HB3 ))
      4.400     2.400     1.600 peak   304 spectrum    1 weight  0.10000E+01 volume  0.12879E-02 ppm1      2.132 ppm2      1.337 CV     1
 OR {  304}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 90   and name HB2 ))
 OR {  304}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 90   and name HB2 ))
 ASSI {  311}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HG2 ))
      2.200     0.600     0.600 peak   311 spectrum    1 weight  0.10000E+01 volume  0.72086E-02 ppm1      2.132 ppm2      2.292 CV     1
 OR {  311}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 82   and name HG3 ))
 OR {  311}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 82   and name HG2 ))
 OR {  311}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HG3 ))
 ASSI {  315}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 121  and name HA  ))
      4.400     2.400     1.600 peak   315 spectrum    1 weight  0.10000E+01 volume  0.18819E-02 ppm1      2.084 ppm2      3.637 CV     1
 ASSI {  327}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 123  and name HB3 ))
      1.700     1.700     4.300 peak   327 spectrum    1 weight  0.10000E+01 volume  0.91870E-01 ppm1      2.554 ppm2      2.665 CV     1
 OR {  327}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 123  and name HB3 ))
 OR {  327}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 123  and name HB2 ))
 ASSI {  328}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 45   and name HB2 ))
      1.800     0.400     0.400 peak   328 spectrum    1 weight  0.10000E+01 volume  0.19643E-01 ppm1      2.554 ppm2      2.142 CV     1
 OR {  328}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  328}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  328}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  344}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      4.100     2.100     1.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.13781E-02 ppm1      2.132 ppm2      4.042 CV     1
 OR {  344}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  345}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.300     0.600     0.600 peak   345 spectrum    1 weight  0.10000E+01 volume  0.56350E-02 ppm1      4.305 ppm2      3.954 CV     1
 OR {  345}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB3 ))
 ASSI {  347}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name HG2 ))
      2.700     2.700     3.300 peak   347 spectrum    1 weight  0.10000E+01 volume  0.21125E-02 ppm1      4.306 ppm2      1.698 CV     1
 ASSI {  348}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.800     1.800     1.800 peak   348 spectrum    1 weight  0.10000E+01 volume  0.13403E-02 ppm1      4.306 ppm2      1.540 CV     1
 OR {  348}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
 ASSI {  350}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HD1%)
      3.700     1.700     1.700 peak   350 spectrum    1 weight  0.10000E+01 volume  0.22336E-02 ppm1      4.307 ppm2      0.903 CV     1
 OR {  350}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HD2%)
 ASSI {  352}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      4.100     2.100     1.900 peak   352 spectrum    1 weight  0.10000E+01 volume  0.94719E-03 ppm1      4.306 ppm2      8.026 CV     1
 ASSI {  357}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 44   and name HA  ))
      4.200     2.200     1.800 peak   357 spectrum    1 weight  0.10000E+01 volume  0.12665E-02 ppm1      2.165 ppm2      4.385 CV     1
 OR {  357}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  359}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HG2 ))
      2.200     0.600     0.600 peak   359 spectrum    1 weight  0.10000E+01 volume  0.80550E-02 ppm1      2.162 ppm2      2.459 CV     1
 OR {  359}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG3 ))
 OR {  359}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HG3 ))
 ASSI {  362}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 44   and name HE% )
      2.200     2.200     3.800 peak   362 spectrum    1 weight  0.10000E+01 volume  0.15046E-01 ppm1      2.468 ppm2      2.079 CV     1
 OR {  362}
   (( segid "    " and resid 47   and name HG3 ))
   (  segid "    " and resid 44   and name HE% )
 ASSI {  363}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HB3 ))
      2.200     0.600     0.600 peak   363 spectrum    1 weight  0.10000E+01 volume  0.90011E-02 ppm1      2.466 ppm2      2.158 CV     1
 OR {  363}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  363}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  363}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI {  366}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.600     1.600     1.600 peak   366 spectrum    1 weight  0.10000E+01 volume  0.17417E-02 ppm1      2.475 ppm2      4.205 CV     1
 OR {  366}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  371}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 43   and name HG3 ))
      1.600     1.600     4.400 peak   371 spectrum    1 weight  0.10000E+01 volume  0.47724E-01 ppm1      2.467 ppm2      2.329 CV     1
 OR {  371}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 43   and name HG3 ))
 ASSI {  372}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 49   and name HB2 ))
      4.900     3.100     1.100 peak   372 spectrum    1 weight  0.10000E+01 volume  0.61256E-03 ppm1      2.462 ppm2      1.549 CV     1
 OR {  372}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  372}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 49   and name HB3 ))
 ASSI {  373}
   (( segid "    " and resid 61   and name HG3 ))
   (( segid "    " and resid 60   and name HB3 ))
      3.800     1.800     1.800 peak   373 spectrum    1 weight  0.10000E+01 volume  0.87648E-03 ppm1      2.314 ppm2      1.560 CV     1
 OR {  373}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 60   and name HB3 ))
 OR {  373}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI {  377}
   (( segid "    " and resid 61   and name HG3 ))
   (( segid "    " and resid 57   and name HB  ))
      2.600     2.600     3.400 peak   377 spectrum    1 weight  0.10000E+01 volume  0.66378E-03 ppm1      2.326 ppm2      4.148 CV     1
 OR {  377}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 57   and name HB  ))
 ASSI {  379}
   (( segid "    " and resid 61   and name HG3 ))
   (( segid "    " and resid 61   and name HE21))
      2.700     0.900     0.900 peak   379 spectrum    1 weight  0.10000E+01 volume  0.24422E-02 ppm1      2.330 ppm2      7.371 CV     1
 OR {  379}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HE21))
 OR {  379}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI {  380}
   (( segid "    " and resid 61   and name HG3 ))
   (( segid "    " and resid 62   and name HN  ))
      4.200     2.200     1.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.92486E-03 ppm1      2.326 ppm2      7.873 CV     1
 OR {  380}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  383}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 46   and name HB3 ))
      3.400     1.500     1.500 peak   383 spectrum    1 weight  0.10000E+01 volume  0.32644E-02 ppm1      2.481 ppm2      3.969 CV     1
 OR {  383}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  383}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 46   and name HB3 ))
 ASSI {  387}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB3 ))
      3.100     1.200     1.200 peak   387 spectrum    1 weight  0.10000E+01 volume  0.10599E-02 ppm1      4.198 ppm2      3.967 CV     1
 OR {  387}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  393}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 45   and name HA  ))
      3.800     1.800     1.800 peak   393 spectrum    1 weight  0.10000E+01 volume  0.25857E-02 ppm1      4.264 ppm2      4.390 CV     1
 ASSI {  396}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HG3 ))
      3.800     1.800     1.800 peak   396 spectrum    1 weight  0.10000E+01 volume  0.68839E-03 ppm1      4.261 ppm2      2.471 CV     1
 OR {  396}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI {  397}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HB% )
      2.000     0.500     0.500 peak   397 spectrum    1 weight  0.10000E+01 volume  0.18252E-01 ppm1      4.262 ppm2      1.471 CV     1
 ASSI {  404}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 124  and name HD1%)
      4.200     2.200     1.800 peak   404 spectrum    1 weight  0.10000E+01 volume  0.91418E-03 ppm1      1.471 ppm2      0.573 CV     1
 ASSI {  406}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 84   and name HB% )
      4.900     3.000     1.100 peak   406 spectrum    1 weight  0.10000E+01 volume  0.59760E-03 ppm1      1.476 ppm2      1.158 CV     1
 ASSI {  408}
   (  segid "    " and resid 107  and name HB% )
   (( segid "    " and resid 106  and name HB3 ))
      4.300     2.300     1.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.60692E-03 ppm1      1.473 ppm2      2.659 CV     1
 ASSI {  418}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.400     0.700     0.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.27663E-02 ppm1      1.541 ppm2      4.140 CV     1
 OR {  418}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  420}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 42   and name HG3 ))
      1.900     1.900     4.100 peak   420 spectrum    1 weight  0.10000E+01 volume  0.22726E-01 ppm1      1.540 ppm2      1.700 CV     1
 ASSI {  423}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 52   and name HG2%)
      4.400     2.400     1.600 peak   423 spectrum    1 weight  0.10000E+01 volume  0.64421E-03 ppm1      1.534 ppm2      1.000 CV     1
 OR {  423}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 52   and name HG2%)
 ASSI {  431}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB3 ))
      2.100     0.600     0.600 peak   431 spectrum    1 weight  0.10000E+01 volume  0.78262E-02 ppm1      4.142 ppm2      1.521 CV     1
 OR {  431}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB2 ))
 ASSI {  435}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 127  and name HB3 ))
      3.100     3.100     2.900 peak   435 spectrum    1 weight  0.10000E+01 volume  0.48144E-02 ppm1      4.137 ppm2      2.279 CV     1
 OR {  435}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 127  and name HB2 ))
 ASSI {  436}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 100  and name HG2 ))
      3.000     3.000     3.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.61765E-02 ppm1      4.139 ppm2      2.227 CV     1
 OR {  436}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 100  and name HG3 ))
 ASSI {  439}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 36   and name HA  ))
      3.400     1.500     1.500 peak   439 spectrum    1 weight  0.10000E+01 volume  0.96304E-03 ppm1      1.642 ppm2      4.323 CV     1
 ASSI {  440}
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     0.900     0.900 peak   440 spectrum    1 weight  0.10000E+01 volume  0.11439E-02 ppm1      1.645 ppm2      4.139 CV     1
 ASSI {  442}
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 50   and name HG2 ))
      2.600     2.600     3.400 peak   442 spectrum    1 weight  0.10000E+01 volume  0.15868E-01 ppm1      1.644 ppm2      1.712 CV     1
 OR {  442}
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 50   and name HG3 ))
 ASSI {  445}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 127  and name HB3 ))
      3.000     1.200     1.200 peak   445 spectrum    1 weight  0.10000E+01 volume  0.96746E-03 ppm1      0.904 ppm2      2.297 CV     1
 OR {  445}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 127  and name HB2 ))
 ASSI {  446}
   (  segid "    " and resid 49   and name HD1%)
   (  segid "    " and resid 45   and name HE% )
      2.900     2.900     3.100 peak   446 spectrum    1 weight  0.10000E+01 volume  0.17246E-02 ppm1      0.905 ppm2      2.086 CV     1
 ASSI {  449}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 50   and name HG2 ))
      3.100     1.200     1.200 peak   449 spectrum    1 weight  0.10000E+01 volume  0.40485E-02 ppm1      0.902 ppm2      1.715 CV     1
 OR {  449}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 50   and name HG3 ))
 ASSI {  451}
   (  segid "    " and resid 49   and name HD1%)
   (  segid "    " and resid 124  and name HG2%)
      2.500     0.800     0.800 peak   451 spectrum    1 weight  0.10000E+01 volume  0.24680E-02 ppm1      0.904 ppm2      0.580 CV     1
 ASSI {  452}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.43919E-02 ppm1      0.904 ppm2      4.140 CV     1
 ASSI {  453}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 46   and name HB2 ))
      4.100     2.100     1.900 peak   453 spectrum    1 weight  0.10000E+01 volume  0.89377E-03 ppm1      0.905 ppm2      4.003 CV     1
 OR {  453}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 46   and name HB3 ))
 ASSI {  454}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 124  and name HA  ))
      2.900     1.000     1.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.14429E-02 ppm1      0.905 ppm2      3.932 CV     1
 ASSI {  457}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 37   and name HA  ))
      3.300     1.400     1.400 peak   457 spectrum    1 weight  0.10000E+01 volume  0.14586E-02 ppm1      0.909 ppm2      4.432 CV     1
 ASSI {  458}
   (  segid "    " and resid 49   and name HD1%)
   (  segid "    " and resid 88   and name HE% )
      3.200     1.300     1.300 peak   458 spectrum    1 weight  0.10000E+01 volume  0.14321E-02 ppm1      0.904 ppm2      7.277 CV     1
 OR {  458}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 88   and name HZ  ))
 ASSI {  460}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
      4.400     2.400     1.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.71948E-03 ppm1      0.905 ppm2      8.040 CV     1
 ASSI {  462}
   (  segid "    " and resid 49   and name HD2%)
   (  segid "    " and resid 124  and name HD1%)
      4.400     2.400     1.600 peak   462 spectrum    1 weight  0.10000E+01 volume  0.99640E-03 ppm1      0.867 ppm2      0.541 CV     1
 ASSI {  463}
   (  segid "    " and resid 49   and name HD2%)
   (  segid "    " and resid 124  and name HG2%)
      2.900     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.15460E-02 ppm1      0.869 ppm2      0.609 CV     1
 ASSI {  464}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 127  and name HB3 ))
      3.300     1.400     1.400 peak   464 spectrum    1 weight  0.10000E+01 volume  0.11130E-02 ppm1      0.873 ppm2      2.304 CV     1
 OR {  464}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 127  and name HB2 ))
 ASSI {  465}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 50   and name HG2 ))
      3.600     1.700     1.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.24615E-02 ppm1      0.867 ppm2      1.725 CV     1
 OR {  465}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 50   and name HG3 ))
 ASSI {  467}
   (  segid "    " and resid 49   and name HD2%)
   (  segid "    " and resid 53   and name HE% )
      2.500     0.800     0.800 peak   467 spectrum    1 weight  0.10000E+01 volume  0.24337E-02 ppm1      0.867 ppm2      7.153 CV     1
 ASSI {  472}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HD2 ))
      2.200     0.600     0.600 peak   472 spectrum    1 weight  0.10000E+01 volume  0.42228E-02 ppm1      4.069 ppm2      1.503 CV     1
 OR {  472}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HD3 ))
 ASSI {  475}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 49   and name HD2%)
      4.500     2.600     1.500 peak   475 spectrum    1 weight  0.10000E+01 volume  0.63429E-03 ppm1      4.069 ppm2      0.881 CV     1
 OR {  475}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 49   and name HD1%)
 ASSI {  477}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.400     0.700     0.700 peak   477 spectrum    1 weight  0.10000E+01 volume  0.34753E-02 ppm1      4.068 ppm2      8.000 CV     1
 ASSI {  478}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 53   and name HE% )
      2.600     0.900     0.900 peak   478 spectrum    1 weight  0.10000E+01 volume  0.17814E-02 ppm1      4.071 ppm2      7.113 CV     1
 OR {  478}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 53   and name HD% )
 ASSI {  491}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 130  and name HA  ))
      2.700     0.900     0.900 peak   491 spectrum    1 weight  0.10000E+01 volume  0.29701E-02 ppm1      1.742 ppm2      3.475 CV     1
 OR {  491}
   (( segid "    " and resid 130  and name HB3 ))
   (( segid "    " and resid 130  and name HA  ))
 ASSI {  496}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 58   and name HN  ))
      4.000     2.000     2.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.10348E-02 ppm1      1.752 ppm2      7.386 CV     1
 OR {  496}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI {  497}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 59   and name HN  ))
      3.800     1.800     1.800 peak   497 spectrum    1 weight  0.10000E+01 volume  0.76308E-03 ppm1      1.754 ppm2      6.973 CV     1
 OR {  497}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI {  503}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HG2 ))
      1.800     0.400     0.400 peak   503 spectrum    1 weight  0.10000E+01 volume  0.16968E-01 ppm1      1.488 ppm2      1.739 CV     1
 OR {  503}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  503}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HG3 ))
 ASSI {  504}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HB3 ))
      2.800     1.000     1.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.49429E-02 ppm1      1.488 ppm2      1.913 CV     1
 OR {  504}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  504}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI {  505}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 131  and name HD1%)
      4.000     2.000     2.000 peak   505 spectrum    1 weight  0.10000E+01 volume  0.84341E-03 ppm1      1.476 ppm2      0.995 CV     1
 OR {  505}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 131  and name HD1%)
 OR {  505}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 131  and name HG2%)
 ASSI {  507}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HE3 ))
      2.600     0.900     0.900 peak   507 spectrum    1 weight  0.10000E+01 volume  0.16109E-02 ppm1      1.489 ppm2      3.018 CV     1
 OR {  507}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HE3 ))
 OR {  507}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HE2 ))
 ASSI {  511}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HN  ))
      3.400     1.400     1.400 peak   511 spectrum    1 weight  0.10000E+01 volume  0.82344E-03 ppm1      1.487 ppm2      7.992 CV     1
 OR {  511}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  512}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HA  ))
      3.500     1.600     1.600 peak   512 spectrum    1 weight  0.10000E+01 volume  0.76100E-03 ppm1      3.011 ppm2      4.053 CV     1
 OR {  512}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  514}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HB3 ))
      2.800     1.000     1.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.16960E-02 ppm1      3.015 ppm2      1.911 CV     1
 OR {  514}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  514}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI {  516}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HD2 ))
      2.200     0.600     0.600 peak   516 spectrum    1 weight  0.10000E+01 volume  0.44550E-02 ppm1      3.015 ppm2      1.480 CV     1
 OR {  516}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  516}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  516}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HD3 ))
 ASSI {  517}
   (( segid "    " and resid 50   and name HE3 ))
   (  segid "    " and resid 131  and name HD1%)
      2.800     1.000     1.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.18102E-02 ppm1      3.015 ppm2      0.985 CV     1
 OR {  517}
   (( segid "    " and resid 50   and name HE2 ))
   (  segid "    " and resid 131  and name HD1%)
 ASSI {  520}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.800     0.800 peak   520 spectrum    1 weight  0.10000E+01 volume  0.44729E-02 ppm1      1.914 ppm2      7.998 CV     1
 OR {  520}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  527}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 127  and name HG3 ))
      3.600     3.600     2.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.31915E-02 ppm1      1.916 ppm2      2.528 CV     1
 OR {  527}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 127  and name HG3 ))
 OR {  527}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 127  and name HG2 ))
 ASSI {  532}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.600     1.600     1.600 peak   532 spectrum    1 weight  0.10000E+01 volume  0.80975E-03 ppm1      4.317 ppm2      1.918 CV     1
 OR {  532}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI {  534}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.000     1.200     1.200 peak   534 spectrum    1 weight  0.10000E+01 volume  0.17978E-02 ppm1      4.319 ppm2      8.043 CV     1
 ASSI {  535}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.400     1.400 peak   535 spectrum    1 weight  0.10000E+01 volume  0.14672E-02 ppm1      4.318 ppm2      7.953 CV     1
 ASSI {  536}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 50   and name HB2 ))
      3.900     1.900     1.900 peak   536 spectrum    1 weight  0.10000E+01 volume  0.86304E-03 ppm1      1.439 ppm2      1.908 CV     1
 OR {  536}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 50   and name HB3 ))
 ASSI {  537}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 124  and name HD1%)
      4.500     2.500     1.500 peak   537 spectrum    1 weight  0.10000E+01 volume  0.85986E-03 ppm1      1.441 ppm2      0.591 CV     1
 OR {  537}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 124  and name HG2%)
 ASSI {  539}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 51   and name HA  ))
      2.100     0.500     0.500 peak   539 spectrum    1 weight  0.10000E+01 volume  0.16823E-01 ppm1      1.441 ppm2      4.314 CV     1
 ASSI {  543}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
      3.100     1.200     1.200 peak   543 spectrum    1 weight  0.10000E+01 volume  0.18953E-02 ppm1      1.443 ppm2      7.966 CV     1
 ASSI {  548}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
      2.700     0.900     0.900 peak   548 spectrum    1 weight  0.10000E+01 volume  0.76251E-02 ppm1      4.175 ppm2      1.009 CV     1
 ASSI {  551}
   (( segid "    " and resid 52   and name HB  ))
   (  segid "    " and resid 49   and name HD2%)
      4.400     2.500     1.600 peak   551 spectrum    1 weight  0.10000E+01 volume  0.89445E-03 ppm1      4.142 ppm2      0.884 CV     1
 OR {  551}
   (( segid "    " and resid 52   and name HB  ))
   (  segid "    " and resid 49   and name HD1%)
 ASSI {  554}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.16659E-02 ppm1      4.144 ppm2      7.949 CV     1
 ASSI {  555}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 53   and name HN  ))
      3.700     1.700     1.700 peak   555 spectrum    1 weight  0.10000E+01 volume  0.14868E-02 ppm1      4.143 ppm2      8.376 CV     1
 ASSI {  558}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 83   and name HZ2 ))
      3.600     1.600     1.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.12009E-02 ppm1      1.009 ppm2      7.380 CV     1
 ASSI {  559}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 83   and name HH2 ))
      2.100     0.500     0.500 peak   559 spectrum    1 weight  0.10000E+01 volume  0.49423E-02 ppm1      1.009 ppm2      7.150 CV     1
 ASSI {  563}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 48   and name HB% )
      3.000     1.100     1.100 peak   563 spectrum    1 weight  0.10000E+01 volume  0.28877E-02 ppm1      1.008 ppm2      1.448 CV     1
 ASSI {  565}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 131  and name HG12))
      3.900     1.900     1.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.29530E-02 ppm1      1.008 ppm2      1.274 CV     1
 OR {  565}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 131  and name HG13))
 ASSI {  566}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 124  and name HD1%)
      4.300     2.300     1.700 peak   566 spectrum    1 weight  0.10000E+01 volume  0.97892E-03 ppm1      1.007 ppm2      0.557 CV     1
 ASSI {  567}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 87   and name HB2 ))
      3.100     1.200     1.200 peak   567 spectrum    1 weight  0.10000E+01 volume  0.12058E-02 ppm1      1.006 ppm2      0.208 CV     1
 OR {  567}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  568}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
      3.800     1.800     1.800 peak   568 spectrum    1 weight  0.10000E+01 volume  0.95524E-03 ppm1      4.922 ppm2      1.004 CV     1
 ASSI {  570}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
      2.600     0.900     0.900 peak   570 spectrum    1 weight  0.10000E+01 volume  0.24827E-02 ppm1      4.921 ppm2      3.079 CV     1
 OR {  570}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  571}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HA  ))
      2.200     2.200     3.800 peak   571 spectrum    1 weight  0.10000E+01 volume  0.11084E-01 ppm1      4.924 ppm2      4.464 CV     1
 ASSI {  574}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 83   and name HZ2 ))
      3.700     1.700     1.700 peak   574 spectrum    1 weight  0.10000E+01 volume  0.71929E-03 ppm1      4.922 ppm2      7.384 CV     1
 ASSI {  577}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.14368E-02 ppm1      4.923 ppm2      8.378 CV     1
 ASSI {  578}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.200     1.300     1.300 peak   578 spectrum    1 weight  0.10000E+01 volume  0.10626E-02 ppm1      3.071 ppm2      8.377 CV     1
 OR {  578}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI {  581}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 53   and name HD% )
      2.800     1.000     1.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.22582E-02 ppm1      3.072 ppm2      7.107 CV     1
 OR {  581}
   (( segid "    " and resid 53   and name HB3 ))
   (  segid "    " and resid 53   and name HD% )
 ASSI {  582}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 83   and name HH2 ))
      4.500     2.600     1.500 peak   582 spectrum    1 weight  0.10000E+01 volume  0.81195E-03 ppm1      3.071 ppm2      7.192 CV     1
 OR {  582}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 83   and name HH2 ))
 ASSI {  588}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB3 ))
      2.500     0.800     0.800 peak   588 spectrum    1 weight  0.10000E+01 volume  0.58803E-02 ppm1      4.427 ppm2      4.149 CV     1
 OR {  588}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  589}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.800     1.800     1.800 peak   589 spectrum    1 weight  0.10000E+01 volume  0.69332E-03 ppm1      4.434 ppm2      7.855 CV     1
 ASSI {  590}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      3.500     1.500     1.500 peak   590 spectrum    1 weight  0.10000E+01 volume  0.90103E-03 ppm1      4.433 ppm2      7.616 CV     1
 ASSI {  591}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.400     1.400     1.400 peak   591 spectrum    1 weight  0.10000E+01 volume  0.92467E-03 ppm1      4.425 ppm2      8.206 CV     1
 ASSI {  594}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      3.400     1.500     1.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.88206E-03 ppm1      4.144 ppm2      8.213 CV     1
 OR {  594}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI {  595}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 58   and name HA  ))
      3.100     3.100     2.900 peak   595 spectrum    1 weight  0.10000E+01 volume  0.48629E-02 ppm1      4.146 ppm2      4.053 CV     1
 OR {  595}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  597}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.300     2.300     3.700 peak   597 spectrum    1 weight  0.10000E+01 volume  0.13302E-02 ppm1      4.144 ppm2      4.343 CV     1
 OR {  597}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  603}
   (( segid "    " and resid 55   and name HA2 ))
   (( segid "    " and resid 56   and name HN  ))
      3.300     1.300     1.300 peak   603 spectrum    1 weight  0.10000E+01 volume  0.98196E-03 ppm1      4.198 ppm2      7.854 CV     1
 OR {  603}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {  606}
   (( segid "    " and resid 55   and name HA2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.800     1.000     1.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.17995E-02 ppm1      4.194 ppm2      8.989 CV     1
 OR {  606}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  607}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.400     2.400     3.600 peak   607 spectrum    1 weight  0.10000E+01 volume  0.15343E-01 ppm1      4.195 ppm2      4.440 CV     1
 OR {  607}
   (( segid "    " and resid 55   and name HA2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  612}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      3.700     1.700     1.700 peak   612 spectrum    1 weight  0.10000E+01 volume  0.68939E-03 ppm1      3.489 ppm2      8.252 CV     1
 ASSI {  614}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      3.500     1.500     1.500 peak   614 spectrum    1 weight  0.10000E+01 volume  0.10398E-02 ppm1      3.486 ppm2      7.623 CV     1
 ASSI {  619}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 76   and name HD2 ))
      4.100     2.100     1.900 peak   619 spectrum    1 weight  0.10000E+01 volume  0.87653E-03 ppm1      3.490 ppm2      7.243 CV     1
 ASSI {  620}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 83   and name HE1 ))
      3.500     1.600     1.600 peak   620 spectrum    1 weight  0.10000E+01 volume  0.81040E-03 ppm1      3.487 ppm2     10.275 CV     1
 ASSI {  621}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      2.700     0.900     0.900 peak   621 spectrum    1 weight  0.10000E+01 volume  0.39376E-02 ppm1      3.488 ppm2      6.536 CV     1
 ASSI {  625}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
      4.000     2.000     2.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.11238E-02 ppm1      3.490 ppm2      4.393 CV     1
 ASSI {  628}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.500     0.800     0.800 peak   628 spectrum    1 weight  0.10000E+01 volume  0.37802E-02 ppm1      3.488 ppm2      1.860 CV     1
 OR {  628}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB3 ))
 ASSI {  638}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 56   and name HB3 ))
      3.300     1.300     1.300 peak   638 spectrum    1 weight  0.10000E+01 volume  0.25149E-02 ppm1      4.065 ppm2      1.836 CV     1
 OR {  638}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  639}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HG3 ))
      3.900     1.900     1.900 peak   639 spectrum    1 weight  0.10000E+01 volume  0.12442E-02 ppm1      4.065 ppm2      1.384 CV     1
 OR {  639}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  641}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.300     0.700     0.700 peak   641 spectrum    1 weight  0.10000E+01 volume  0.44943E-02 ppm1      4.065 ppm2      1.549 CV     1
 OR {  641}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI {  642}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB  ))
      2.300     0.700     0.700 peak   642 spectrum    1 weight  0.10000E+01 volume  0.94938E-02 ppm1      4.070 ppm2      4.174 CV     1
 ASSI {  645}
   (( segid "    " and resid 57   and name HB  ))
   (( segid "    " and resid 54   and name HA  ))
      3.500     1.500     1.500 peak   645 spectrum    1 weight  0.10000E+01 volume  0.62860E-03 ppm1      4.172 ppm2      4.440 CV     1
 ASSI {  647}
   (( segid "    " and resid 57   and name HB  ))
   (( segid "    " and resid 60   and name HB2 ))
      4.200     2.200     1.800 peak   647 spectrum    1 weight  0.10000E+01 volume  0.84631E-03 ppm1      4.175 ppm2      1.556 CV     1
 OR {  647}
   (( segid "    " and resid 57   and name HB  ))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI {  649}
   (( segid "    " and resid 57   and name HB  ))
   (( segid "    " and resid 57   and name HN  ))
      2.400     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.46485E-02 ppm1      4.177 ppm2      7.612 CV     1
 ASSI {  651}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      3.100     1.200     1.200 peak   651 spectrum    1 weight  0.10000E+01 volume  0.17283E-02 ppm1      4.067 ppm2      8.252 CV     1
 ASSI {  652}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.500     0.800     0.800 peak   652 spectrum    1 weight  0.10000E+01 volume  0.35750E-02 ppm1      4.067 ppm2      7.613 CV     1
 ASSI {  655}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 57   and name HB  ))
      2.000     0.500     0.500 peak   655 spectrum    1 weight  0.10000E+01 volume  0.16456E-01 ppm1      1.273 ppm2      4.175 CV     1
 ASSI {  656}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 57   and name HA  ))
      2.100     0.500     0.500 peak   656 spectrum    1 weight  0.10000E+01 volume  0.12855E-01 ppm1      1.273 ppm2      4.068 CV     1
 ASSI {  657}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 54   and name HA  ))
      3.900     1.900     1.900 peak   657 spectrum    1 weight  0.10000E+01 volume  0.11521E-02 ppm1      1.273 ppm2      4.434 CV     1
 ASSI {  659}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 61   and name HG3 ))
      3.700     1.700     1.700 peak   659 spectrum    1 weight  0.10000E+01 volume  0.81821E-03 ppm1      1.273 ppm2      2.326 CV     1
 OR {  659}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 61   and name HG2 ))
 ASSI {  660}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 61   and name HB2 ))
      4.100     2.100     1.900 peak   660 spectrum    1 weight  0.10000E+01 volume  0.86084E-03 ppm1      1.271 ppm2      2.074 CV     1
 OR {  660}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  662}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 56   and name HB3 ))
      4.500     2.600     1.500 peak   662 spectrum    1 weight  0.10000E+01 volume  0.72202E-03 ppm1      1.272 ppm2      1.830 CV     1
 OR {  662}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  663}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 60   and name HB3 ))
      3.400     1.500     1.500 peak   663 spectrum    1 weight  0.10000E+01 volume  0.19355E-02 ppm1      1.272 ppm2      1.542 CV     1
 OR {  663}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 60   and name HB2 ))
 ASSI {  664}
   (  segid "    " and resid 57   and name HG2%)
   (  segid "    " and resid 132  and name HD2%)
      3.400     1.500     1.500 peak   664 spectrum    1 weight  0.10000E+01 volume  0.87079E-03 ppm1      1.271 ppm2      0.931 CV     1
 ASSI {  665}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 57   and name HN  ))
      3.400     1.400     1.400 peak   665 spectrum    1 weight  0.10000E+01 volume  0.31211E-02 ppm1      1.273 ppm2      7.614 CV     1
 ASSI {  677}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 58   and name HD2 ))
      1.900     0.400     0.400 peak   677 spectrum    1 weight  0.10000E+01 volume  0.25662E-01 ppm1      1.763 ppm2      1.535 CV     1
 OR {  677}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HD3 ))
 OR {  677}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 58   and name HD3 ))
 OR {  677}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HD2 ))
 ASSI {  678}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 58   and name HB3 ))
      2.700     0.900     0.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.30200E-02 ppm1      1.763 ppm2      1.958 CV     1
 OR {  678}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {  678}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {  678}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HB3 ))
 ASSI {  683}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 59   and name HA  ))
      3.300     1.300     1.300 peak   683 spectrum    1 weight  0.10000E+01 volume  0.78631E-03 ppm1      1.760 ppm2      4.454 CV     1
 OR {  683}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI {  684}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HN  ))
      2.100     2.100     3.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.22044E-02 ppm1      1.556 ppm2      7.401 CV     1
 OR {  684}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI {  685}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HA  ))
      3.400     1.500     1.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.19143E-02 ppm1      1.556 ppm2      4.073 CV     1
 OR {  685}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  687}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HE3 ))
      3.100     1.200     1.200 peak   687 spectrum    1 weight  0.10000E+01 volume  0.11661E-02 ppm1      1.556 ppm2      3.054 CV     1
 OR {  687}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HE3 ))
 OR {  687}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HE2 ))
 ASSI {  688}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HB2 ))
      2.500     0.800     0.800 peak   688 spectrum    1 weight  0.10000E+01 volume  0.53375E-02 ppm1      1.556 ppm2      1.941 CV     1
 OR {  688}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {  688}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HB3 ))
 ASSI {  689}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HG3 ))
      1.900     0.500     0.500 peak   689 spectrum    1 weight  0.10000E+01 volume  0.21198E-01 ppm1      1.556 ppm2      1.762 CV     1
 OR {  689}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HG2 ))
 OR {  689}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HG2 ))
 ASSI {  690}
   (( segid "    " and resid 58   and name HE2 ))
   (( segid "    " and resid 58   and name HD3 ))
      2.600     0.900     0.900 peak   690 spectrum    1 weight  0.10000E+01 volume  0.37336E-02 ppm1      3.056 ppm2      1.551 CV     1
 OR {  690}
   (( segid "    " and resid 58   and name HE3 ))
   (( segid "    " and resid 58   and name HD2 ))
 OR {  690}
   (( segid "    " and resid 58   and name HE3 ))
   (( segid "    " and resid 58   and name HD3 ))
 OR {  690}
   (( segid "    " and resid 58   and name HE2 ))
   (( segid "    " and resid 58   and name HD2 ))
 ASSI {  693}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.600     0.800     0.800 peak   693 spectrum    1 weight  0.10000E+01 volume  0.34029E-02 ppm1      4.453 ppm2      6.968 CV     1
 ASSI {  695}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.800     1.900     1.900 peak   695 spectrum    1 weight  0.10000E+01 volume  0.93721E-03 ppm1      4.453 ppm2      8.025 CV     1
 ASSI {  696}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.20962E-02 ppm1      4.454 ppm2      7.886 CV     1
 ASSI {  697}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      3.300     1.300     1.300 peak   697 spectrum    1 weight  0.10000E+01 volume  0.95228E-03 ppm1      4.453 ppm2      8.270 CV     1
 ASSI {  699}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      3.200     1.200     1.200 peak   699 spectrum    1 weight  0.10000E+01 volume  0.17724E-02 ppm1      4.454 ppm2      8.864 CV     1
 ASSI {  701}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.500     0.800     0.800 peak   701 spectrum    1 weight  0.10000E+01 volume  0.50036E-02 ppm1      4.454 ppm2      2.508 CV     1
 OR {  701}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  704}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.200     0.600     0.600 peak   704 spectrum    1 weight  0.10000E+01 volume  0.54307E-02 ppm1      4.454 ppm2      1.960 CV     1
 OR {  704}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI {  706}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.200     0.600     0.600 peak   706 spectrum    1 weight  0.10000E+01 volume  0.78170E-02 ppm1      4.453 ppm2      1.698 CV     1
 OR {  706}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
 ASSI {  709}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 116  and name HB2 ))
      4.900     3.000     1.100 peak   709 spectrum    1 weight  0.10000E+01 volume  0.68248E-03 ppm1      4.453 ppm2      0.641 CV     1
 OR {  709}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 116  and name HB3 ))
 ASSI {  712}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 56   and name HA  ))
      2.700     0.900     0.900 peak   712 spectrum    1 weight  0.10000E+01 volume  0.41892E-02 ppm1      1.699 ppm2      3.477 CV     1
 OR {  712}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI {  713}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HG2 ))
      2.200     0.600     0.600 peak   713 spectrum    1 weight  0.10000E+01 volume  0.78379E-02 ppm1      1.696 ppm2      2.310 CV     1
 OR {  713}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  713}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI {  715}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 62   and name HG2 ))
      2.800     1.000     1.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.73227E-02 ppm1      1.699 ppm2      1.451 CV     1
 OR {  715}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 62   and name HG3 ))
 OR {  715}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 62   and name HG2 ))
 ASSI {  717}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 62   and name HB3 ))
      3.400     1.500     1.500 peak   717 spectrum    1 weight  0.10000E+01 volume  0.13993E-02 ppm1      1.697 ppm2      1.968 CV     1
 OR {  717}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  717}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  717}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  718}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 61   and name HB2 ))
      4.000     2.000     2.000 peak   718 spectrum    1 weight  0.10000E+01 volume  0.16267E-02 ppm1      1.699 ppm2      2.053 CV     1
 OR {  718}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  718}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  720}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      4.100     2.100     1.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.13089E-02 ppm1      1.695 ppm2      7.373 CV     1
 OR {  720}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI {  722}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      3.400     1.400     1.400 peak   722 spectrum    1 weight  0.10000E+01 volume  0.24635E-02 ppm1      1.697 ppm2      8.250 CV     1
 OR {  722}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  726}
   (( segid "    " and resid 59   and name HG2 ))
   (  segid "    " and resid 56   and name HE% )
      3.500     1.500     1.500 peak   726 spectrum    1 weight  0.10000E+01 volume  0.74346E-03 ppm1      2.309 ppm2      7.079 CV     1
 OR {  726}
   (( segid "    " and resid 59   and name HG3 ))
   (  segid "    " and resid 56   and name HE% )
 ASSI {  727}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.900     1.100     1.100 peak   727 spectrum    1 weight  0.10000E+01 volume  0.27330E-02 ppm1      2.310 ppm2      6.970 CV     1
 OR {  727}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI {  728}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 60   and name HN  ))
      3.300     1.400     1.400 peak   728 spectrum    1 weight  0.10000E+01 volume  0.78945E-03 ppm1      2.308 ppm2      8.255 CV     1
 OR {  728}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  729}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 83   and name HE1 ))
      2.600     2.600     3.400 peak   729 spectrum    1 weight  0.10000E+01 volume  0.71400E-03 ppm1      2.311 ppm2     10.274 CV     1
 ASSI {  730}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak   730 spectrum    1 weight  0.10000E+01 volume  0.24349E-02 ppm1      2.308 ppm2      4.456 CV     1
 OR {  730}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI {  731}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 56   and name HA  ))
      2.800     1.000     1.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.22531E-02 ppm1      2.314 ppm2      3.505 CV     1
 OR {  731}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI {  735}
   (( segid "    " and resid 59   and name HG3 ))
   (  segid "    " and resid 65   and name HD1%)
      3.500     1.500     1.500 peak   735 spectrum    1 weight  0.10000E+01 volume  0.11457E-02 ppm1      2.309 ppm2      0.643 CV     1
 OR {  735}
   (( segid "    " and resid 59   and name HG2 ))
   (  segid "    " and resid 65   and name HD1%)
 ASSI {  737}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 61   and name HB2 ))
      3.500     3.500     2.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.26568E-02 ppm1      2.315 ppm2      2.100 CV     1
 OR {  737}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  737}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  740}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 79   and name HB3 ))
      2.700     2.700     3.300 peak   740 spectrum    1 weight  0.10000E+01 volume  0.69603E-02 ppm1      2.312 ppm2      2.506 CV     1
 OR {  740}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  740}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  744}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.200     0.600     0.600 peak   744 spectrum    1 weight  0.10000E+01 volume  0.71709E-02 ppm1      3.338 ppm2      1.555 CV     1
 OR {  744}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI {  745}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG3 ))
      2.400     0.700     0.700 peak   745 spectrum    1 weight  0.10000E+01 volume  0.35596E-02 ppm1      3.338 ppm2      1.387 CV     1
 OR {  745}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  746}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 65   and name HB  ))
      2.000     0.500     0.500 peak   746 spectrum    1 weight  0.10000E+01 volume  0.76438E-02 ppm1      3.338 ppm2      1.227 CV     1
 ASSI {  747}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 63   and name HD1%)
      3.900     1.900     1.900 peak   747 spectrum    1 weight  0.10000E+01 volume  0.72221E-03 ppm1      3.337 ppm2      0.858 CV     1
 OR {  747}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 63   and name HD2%)
 ASSI {  748}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 65   and name HG13))
      3.600     1.600     1.600 peak   748 spectrum    1 weight  0.10000E+01 volume  0.10464E-02 ppm1      3.338 ppm2      0.750 CV     1
 OR {  748}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 65   and name HG12))
 ASSI {  753}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
      3.700     3.700     2.300 peak   753 spectrum    1 weight  0.10000E+01 volume  0.19489E-02 ppm1      3.338 ppm2      4.401 CV     1
 ASSI {  754}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      3.300     1.400     1.400 peak   754 spectrum    1 weight  0.10000E+01 volume  0.11848E-02 ppm1      3.343 ppm2      7.372 CV     1
 OR {  754}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HE21))
 ASSI {  755}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.500     0.800     0.800 peak   755 spectrum    1 weight  0.10000E+01 volume  0.33097E-02 ppm1      3.338 ppm2      8.252 CV     1
 ASSI {  756}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.300     1.400     1.400 peak   756 spectrum    1 weight  0.10000E+01 volume  0.65663E-03 ppm1      3.338 ppm2      8.036 CV     1
 ASSI {  757}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.800     1.000     1.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.35466E-02 ppm1      3.338 ppm2      7.817 CV     1
 ASSI {  759}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 56   and name HB3 ))
      2.400     2.400     3.600 peak   759 spectrum    1 weight  0.10000E+01 volume  0.18710E-01 ppm1      1.554 ppm2      1.827 CV     1
 OR {  759}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  759}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  759}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  761}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak   761 spectrum    1 weight  0.10000E+01 volume  0.19368E-02 ppm1      1.554 ppm2      7.372 CV     1
 OR {  761}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 61   and name HE21))
 OR {  761}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI {  762}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      2.400     0.700     0.700 peak   762 spectrum    1 weight  0.10000E+01 volume  0.32902E-02 ppm1      1.555 ppm2      8.252 CV     1
 OR {  762}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  769}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HE22))
      3.800     1.800     1.800 peak   769 spectrum    1 weight  0.10000E+01 volume  0.94318E-03 ppm1      1.554 ppm2      6.376 CV     1
 OR {  769}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HE22))
 ASSI {  774}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 67   and name HA  ))
      3.500     1.500     1.500 peak   774 spectrum    1 weight  0.10000E+01 volume  0.88954E-03 ppm1      1.554 ppm2      3.889 CV     1
 OR {  774}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI {  775}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 65   and name HB  ))
      3.600     1.700     1.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.17123E-02 ppm1      1.553 ppm2      1.232 CV     1
 OR {  775}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 65   and name HB  ))
 ASSI {  776}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HG2 ))
      2.200     0.600     0.600 peak   776 spectrum    1 weight  0.10000E+01 volume  0.61408E-02 ppm1      1.553 ppm2      1.382 CV     1
 OR {  776}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HG3 ))
 OR {  776}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  779}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 65   and name HG2%)
      4.600     2.600     1.400 peak   779 spectrum    1 weight  0.10000E+01 volume  0.63611E-03 ppm1      1.553 ppm2      0.309 CV     1
 OR {  779}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 65   and name HG2%)
 ASSI {  781}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 61   and name HB2 ))
      4.300     2.300     1.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.10951E-02 ppm1      1.554 ppm2      2.074 CV     1
 OR {  781}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  781}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {  794}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 61   and name HE21))
      3.900     1.900     1.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.63210E-03 ppm1      1.369 ppm2      7.378 CV     1
 OR {  794}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 61   and name HN  ))
 OR {  794}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI {  795}
   (( segid "    " and resid 60   and name HG3 ))
   (  segid "    " and resid 56   and name HE% )
      3.100     1.200     1.200 peak   795 spectrum    1 weight  0.10000E+01 volume  0.66484E-03 ppm1      1.372 ppm2      7.068 CV     1
 OR {  795}
   (( segid "    " and resid 60   and name HG2 ))
   (  segid "    " and resid 56   and name HE% )
 ASSI {  797}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HE22))
      3.500     1.500     1.500 peak   797 spectrum    1 weight  0.10000E+01 volume  0.15558E-02 ppm1      1.373 ppm2      6.377 CV     1
 OR {  797}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HE22))
 ASSI {  799}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HN  ))
      3.400     1.400     1.400 peak   799 spectrum    1 weight  0.10000E+01 volume  0.31243E-02 ppm1      1.373 ppm2      8.252 CV     1
 OR {  799}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  804}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HB3 ))
      1.800     0.400     0.400 peak   804 spectrum    1 weight  0.10000E+01 volume  0.21675E-01 ppm1      1.373 ppm2      1.555 CV     1
 OR {  804}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  804}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HB3 ))
 OR {  804}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI {  805}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 65   and name HB  ))
      2.400     0.700     0.700 peak   805 spectrum    1 weight  0.10000E+01 volume  0.23210E-02 ppm1      1.375 ppm2      1.233 CV     1
 OR {  805}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 65   and name HB  ))
 ASSI {  811}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.300     0.700     0.700 peak   811 spectrum    1 weight  0.10000E+01 volume  0.75170E-02 ppm1      3.981 ppm2      7.364 CV     1
 OR {  811}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HE21))
 ASSI {  814}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.300     3.300     2.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.11625E-02 ppm1      3.977 ppm2      8.401 CV     1
 ASSI {  816}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG3 ))
      2.800     1.000     1.000 peak   816 spectrum    1 weight  0.10000E+01 volume  0.48090E-02 ppm1      3.981 ppm2      2.328 CV     1
 OR {  816}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI {  819}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
      2.100     0.500     0.500 peak   819 spectrum    1 weight  0.10000E+01 volume  0.15825E-01 ppm1      3.982 ppm2      2.084 CV     1
 OR {  819}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {  820}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.400     3.400     2.600 peak   820 spectrum    1 weight  0.10000E+01 volume  0.30704E-02 ppm1      3.984 ppm2      1.931 CV     1
 OR {  820}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI {  821}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 67   and name HG3 ))
      3.100     3.100     2.900 peak   821 spectrum    1 weight  0.10000E+01 volume  0.24702E-02 ppm1      3.986 ppm2      1.625 CV     1
 OR {  821}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {  822}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.34856E-02 ppm1      2.073 ppm2      4.073 CV     1
 OR {  822}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  828}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      2.300     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.73902E-02 ppm1      2.072 ppm2      7.373 CV     1
 OR {  828}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI {  829}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      2.500     0.800     0.800 peak   829 spectrum    1 weight  0.10000E+01 volume  0.38379E-02 ppm1      2.069 ppm2      7.877 CV     1
 OR {  829}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  830}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.200     0.600     0.600 peak   830 spectrum    1 weight  0.10000E+01 volume  0.10104E-01 ppm1      3.981 ppm2      1.915 CV     1
 OR {  830}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI {  833}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HG  ))
      3.900     1.900     1.900 peak   833 spectrum    1 weight  0.10000E+01 volume  0.14473E-02 ppm1      3.986 ppm2      1.543 CV     1
 OR {  833}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  833}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  834}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.000     1.100     1.100 peak   834 spectrum    1 weight  0.10000E+01 volume  0.27888E-02 ppm1      3.982 ppm2      2.082 CV     1
 OR {  834}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  837}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
      4.000     2.000     2.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.67937E-03 ppm1      3.984 ppm2      2.330 CV     1
 OR {  837}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI {  838}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HD3 ))
      3.500     1.500     1.500 peak   838 spectrum    1 weight  0.10000E+01 volume  0.88924E-03 ppm1      3.984 ppm2      3.050 CV     1
 OR {  838}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HD2 ))
 ASSI {  842}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      3.700     1.700     1.700 peak   842 spectrum    1 weight  0.10000E+01 volume  0.17397E-02 ppm1      3.982 ppm2      7.361 CV     1
 ASSI {  843}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.20575E-02 ppm1      3.982 ppm2      8.015 CV     1
 ASSI {  844}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.400     0.700     0.700 peak   844 spectrum    1 weight  0.10000E+01 volume  0.58825E-02 ppm1      3.981 ppm2      7.880 CV     1
 ASSI {  850}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      4.300     2.300     1.700 peak   850 spectrum    1 weight  0.10000E+01 volume  0.63267E-03 ppm1      1.949 ppm2      7.384 CV     1
 OR {  850}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI {  861}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 59   and name HG3 ))
      3.200     1.300     1.300 peak   861 spectrum    1 weight  0.10000E+01 volume  0.20593E-02 ppm1      1.950 ppm2      2.319 CV     1
 OR {  861}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  861}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI {  866}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HG  ))
      3.000     1.100     1.100 peak   866 spectrum    1 weight  0.10000E+01 volume  0.22368E-02 ppm1      1.946 ppm2      1.514 CV     1
 OR {  866}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  866}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HG  ))
 OR {  866}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  866}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  867}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.32100E-02 ppm1      1.948 ppm2      2.079 CV     1
 OR {  867}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {  873}
   (( segid "    " and resid 62   and name HG3 ))
   (( segid "    " and resid 62   and name HB3 ))
      2.400     0.700     0.700 peak   873 spectrum    1 weight  0.10000E+01 volume  0.40463E-02 ppm1      1.450 ppm2      1.919 CV     1
 OR {  873}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  873}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI {  874}
   (( segid "    " and resid 62   and name HG3 ))
   (  segid "    " and resid 63   and name HD2%)
      3.400     1.500     1.500 peak   874 spectrum    1 weight  0.10000E+01 volume  0.14365E-02 ppm1      1.449 ppm2      0.841 CV     1
 OR {  874}
   (( segid "    " and resid 62   and name HG2 ))
   (  segid "    " and resid 63   and name HD2%)
 OR {  874}
   (( segid "    " and resid 62   and name HG3 ))
   (  segid "    " and resid 63   and name HD1%)
 ASSI {  881}
   (( segid "    " and resid 62   and name HG3 ))
   (( segid "    " and resid 62   and name HA  ))
      3.100     1.200     1.200 peak   881 spectrum    1 weight  0.10000E+01 volume  0.18692E-02 ppm1      1.451 ppm2      3.980 CV     1
 OR {  881}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI {  888}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HB2 ))
      2.900     1.000     1.000 peak   888 spectrum    1 weight  0.10000E+01 volume  0.30170E-02 ppm1      3.044 ppm2      1.912 CV     1
 OR {  888}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  888}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI {  890}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HG3 ))
      2.700     0.900     0.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.28685E-02 ppm1      3.045 ppm2      1.451 CV     1
 OR {  890}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HG3 ))
 OR {  890}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HG2 ))
 ASSI {  892}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.200     0.600     0.600 peak   892 spectrum    1 weight  0.10000E+01 volume  0.79439E-02 ppm1      4.369 ppm2      1.527 CV     1
 OR {  892}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HG  ))
 OR {  892}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
 ASSI {  893}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.000     1.100     1.100 peak   893 spectrum    1 weight  0.10000E+01 volume  0.33606E-02 ppm1      4.377 ppm2      1.944 CV     1
 OR {  893}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  895}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HD2%)
      2.100     0.500     0.500 peak   895 spectrum    1 weight  0.10000E+01 volume  0.14784E-01 ppm1      4.371 ppm2      0.840 CV     1
 ASSI {  896}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.100     1.100 peak   896 spectrum    1 weight  0.10000E+01 volume  0.13765E-02 ppm1      4.370 ppm2      7.543 CV     1
 ASSI {  897}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.600     0.800     0.800 peak   897 spectrum    1 weight  0.10000E+01 volume  0.31343E-02 ppm1      4.371 ppm2      8.029 CV     1
 ASSI {  899}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HN  ))
      2.500     0.800     0.800 peak   899 spectrum    1 weight  0.10000E+01 volume  0.22999E-02 ppm1      1.523 ppm2      8.039 CV     1
 OR {  899}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI {  901}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      2.800     0.900     0.900 peak   901 spectrum    1 weight  0.10000E+01 volume  0.20042E-02 ppm1      1.527 ppm2      4.369 CV     1
 OR {  901}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  910}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 116  and name HG  ))
      2.900     2.900     3.100 peak   910 spectrum    1 weight  0.10000E+01 volume  0.78617E-02 ppm1      1.523 ppm2      1.601 CV     1
 OR {  910}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 116  and name HG  ))
 ASSI {  911}
   (( segid "    " and resid 63   and name HG  ))
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.100     1.100 peak   911 spectrum    1 weight  0.10000E+01 volume  0.19366E-02 ppm1      1.528 ppm2      4.370 CV     1
 ASSI {  912}
   (( segid "    " and resid 63   and name HG  ))
   (  segid "    " and resid 63   and name HD1%)
      2.200     0.600     0.600 peak   912 spectrum    1 weight  0.10000E+01 volume  0.70552E-02 ppm1      1.525 ppm2      0.846 CV     1
 OR {  912}
   (( segid "    " and resid 63   and name HG  ))
   (  segid "    " and resid 63   and name HD2%)
 ASSI {  917}
   (( segid "    " and resid 63   and name HG  ))
   (( segid "    " and resid 62   and name HB3 ))
      2.900     1.100     1.100 peak   917 spectrum    1 weight  0.10000E+01 volume  0.16012E-02 ppm1      1.530 ppm2      1.958 CV     1
 OR {  917}
   (( segid "    " and resid 63   and name HG  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  918}
   (( segid "    " and resid 63   and name HG  ))
   (( segid "    " and resid 63   and name HN  ))
      2.600     0.900     0.900 peak   918 spectrum    1 weight  0.10000E+01 volume  0.21563E-02 ppm1      1.528 ppm2      8.039 CV     1
 ASSI {  920}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 65   and name HG13))
      2.800     1.000     1.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.76401E-02 ppm1      0.863 ppm2      0.762 CV     1
 OR {  920}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 65   and name HG12))
 ASSI {  922}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 63   and name HG  ))
      2.000     0.500     0.500 peak   922 spectrum    1 weight  0.10000E+01 volume  0.12283E-01 ppm1      0.865 ppm2      1.532 CV     1
 OR {  922}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 63   and name HB3 ))
 OR {  922}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  923}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 60   and name HG3 ))
      4.100     2.100     1.900 peak   923 spectrum    1 weight  0.10000E+01 volume  0.11214E-02 ppm1      0.864 ppm2      1.411 CV     1
 OR {  923}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  924}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
      3.000     1.100     1.100 peak   924 spectrum    1 weight  0.10000E+01 volume  0.29937E-02 ppm1      0.865 ppm2      1.675 CV     1
 ASSI {  925}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 59   and name HG3 ))
      2.400     0.700     0.700 peak   925 spectrum    1 weight  0.10000E+01 volume  0.49944E-02 ppm1      0.872 ppm2      2.312 CV     1
 OR {  925}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 59   and name HG2 ))
 ASSI {  927}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 79   and name HB3 ))
      2.900     2.900     3.100 peak   927 spectrum    1 weight  0.10000E+01 volume  0.31796E-02 ppm1      0.865 ppm2      2.509 CV     1
 OR {  927}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  928}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 63   and name HA  ))
      4.200     2.200     1.800 peak   928 spectrum    1 weight  0.10000E+01 volume  0.12963E-02 ppm1      0.865 ppm2      4.376 CV     1
 ASSI {  930}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 63   and name HN  ))
      3.800     1.800     1.800 peak   930 spectrum    1 weight  0.10000E+01 volume  0.12850E-02 ppm1      0.864 ppm2      8.039 CV     1
 ASSI {  931}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 63   and name HG  ))
      1.900     0.400     0.400 peak   931 spectrum    1 weight  0.10000E+01 volume  0.25826E-01 ppm1      0.834 ppm2      1.519 CV     1
 OR {  931}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 63   and name HB2 ))
 OR {  931}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 63   and name HB3 ))
 ASSI {  935}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 114  and name HG  ))
      1.900     0.400     0.400 peak   935 spectrum    1 weight  0.10000E+01 volume  0.92396E-02 ppm1      0.837 ppm2      1.944 CV     1
 ASSI {  937}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 110  and name HE3 ))
      3.800     1.800     1.800 peak   937 spectrum    1 weight  0.10000E+01 volume  0.15071E-02 ppm1      0.837 ppm2      2.518 CV     1
 OR {  937}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 110  and name HE2 ))
 ASSI {  938}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 123  and name HB2 ))
      3.200     1.300     1.300 peak   938 spectrum    1 weight  0.10000E+01 volume  0.24819E-02 ppm1      0.843 ppm2      2.674 CV     1
 OR {  938}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 123  and name HB3 ))
 ASSI {  939}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 126  and name HB2 ))
      2.500     0.800     0.800 peak   939 spectrum    1 weight  0.10000E+01 volume  0.31081E-02 ppm1      0.844 ppm2      3.265 CV     1
 OR {  939}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 126  and name HB3 ))
 ASSI {  944}
   (  segid "    " and resid 114  and name HD2%)
   (  segid "    " and resid 113  and name HD% )
      2.400     0.700     0.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.57150E-02 ppm1      0.843 ppm2      7.283 CV     1
 ASSI {  946}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 115  and name HN  ))
      4.100     2.100     1.900 peak   946 spectrum    1 weight  0.10000E+01 volume  0.91624E-03 ppm1      0.843 ppm2      7.048 CV     1
 ASSI {  947}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 114  and name HN  ))
      2.300     0.600     0.600 peak   947 spectrum    1 weight  0.10000E+01 volume  0.30929E-02 ppm1      0.843 ppm2      8.482 CV     1
 ASSI {  953}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 126  and name HN  ))
      3.900     1.900     1.900 peak   953 spectrum    1 weight  0.10000E+01 volume  0.87754E-03 ppm1      0.844 ppm2      8.907 CV     1
 ASSI {  955}
   (( segid "    " and resid 64   and name HA1 ))
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.200     1.200 peak   955 spectrum    1 weight  0.10000E+01 volume  0.16748E-02 ppm1      3.798 ppm2      7.817 CV     1
 OR {  955}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  957}
   (( segid "    " and resid 64   and name HA1 ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak   957 spectrum    1 weight  0.10000E+01 volume  0.52047E-02 ppm1      3.799 ppm2      7.542 CV     1
 OR {  957}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI {  959}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HD3 ))
      2.300     0.600     0.600 peak   959 spectrum    1 weight  0.10000E+01 volume  0.40409E-02 ppm1      3.496 ppm2      2.682 CV     1
 OR {  959}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI {  963}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HG3 ))
      4.400     2.400     1.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.10830E-02 ppm1      3.500 ppm2      2.008 CV     1
 OR {  963}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HG2 ))
 ASSI {  966}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG12))
      2.500     0.800     0.800 peak   966 spectrum    1 weight  0.10000E+01 volume  0.21735E-02 ppm1      3.496 ppm2      0.746 CV     1
 OR {  966}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG13))
 ASSI {  969}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 60   and name HG2 ))
      3.500     1.500     1.500 peak   969 spectrum    1 weight  0.10000E+01 volume  0.19266E-02 ppm1      3.497 ppm2      1.406 CV     1
 OR {  969}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 60   and name HG3 ))
 ASSI {  971}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 65   and name HN  ))
      2.400     0.700     0.700 peak   971 spectrum    1 weight  0.10000E+01 volume  0.29517E-02 ppm1      1.225 ppm2      7.815 CV     1
 ASSI {  972}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   972 spectrum    1 weight  0.10000E+01 volume  0.85721E-03 ppm1      1.225 ppm2      3.493 CV     1
 ASSI {  974}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 66   and name HB2 ))
      4.300     2.300     1.700 peak   974 spectrum    1 weight  0.10000E+01 volume  0.92022E-03 ppm1      1.225 ppm2      1.839 CV     1
 OR {  974}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 66   and name HB3 ))
 ASSI {  983}
   (( segid "    " and resid 65   and name HG13))
   (( segid "    " and resid 60   and name HG3 ))
      2.900     1.100     1.100 peak   983 spectrum    1 weight  0.10000E+01 volume  0.78146E-02 ppm1      0.744 ppm2      1.405 CV     1
 OR {  983}
   (( segid "    " and resid 65   and name HG13))
   (( segid "    " and resid 60   and name HG2 ))
 OR {  983}
   (( segid "    " and resid 65   and name HG12))
   (( segid "    " and resid 60   and name HG3 ))
 ASSI {  984}
   (( segid "    " and resid 65   and name HG13))
   (( segid "    " and resid 63   and name HB3 ))
      2.600     0.800     0.800 peak   984 spectrum    1 weight  0.10000E+01 volume  0.14126E-02 ppm1      0.744 ppm2      1.543 CV     1
 OR {  984}
   (( segid "    " and resid 65   and name HG13))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  984}
   (( segid "    " and resid 65   and name HG12))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  984}
   (( segid "    " and resid 65   and name HG12))
   (( segid "    " and resid 63   and name HB3 ))
 ASSI {  985}
   (( segid "    " and resid 65   and name HG13))
   (( segid "    " and resid 65   and name HB  ))
      2.600     0.800     0.800 peak   985 spectrum    1 weight  0.10000E+01 volume  0.15789E-02 ppm1      0.746 ppm2      1.240 CV     1
 OR {  985}
   (( segid "    " and resid 65   and name HG12))
   (( segid "    " and resid 65   and name HB  ))
 ASSI {  997}
   (( segid "    " and resid 65   and name HG13))
   (( segid "    " and resid 65   and name HN  ))
      2.900     1.000     1.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.12584E-02 ppm1      0.741 ppm2      7.815 CV     1
 OR {  997}
   (( segid "    " and resid 65   and name HG12))
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  999}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      3.600     1.600     1.600 peak   999 spectrum    1 weight  0.10000E+01 volume  0.16916E-02 ppm1      0.309 ppm2      7.815 CV     1
 ASSI { 1000}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 76   and name HD2 ))
      3.300     1.300     1.300 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.14397E-02 ppm1      0.309 ppm2      7.241 CV     1
 ASSI { 1002}
   (  segid "    " and resid 65   and name HG2%)
   (  segid "    " and resid 56   and name HE% )
      3.300     1.300     1.300 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.19486E-02 ppm1      0.309 ppm2      7.066 CV     1
 ASSI { 1005}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
      4.100     2.100     1.900 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.11413E-02 ppm1      0.309 ppm2      5.805 CV     1
 ASSI { 1007}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 102  and name HA2 ))
      4.600     2.700     1.400 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.67408E-03 ppm1      0.307 ppm2      3.738 CV     1
 OR { 1007}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 102  and name HA1 ))
 ASSI { 1008}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      3.500     1.500     1.500 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.19647E-02 ppm1      0.308 ppm2      3.341 CV     1
 ASSI { 1010}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      2.200     0.600     0.600 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.70587E-02 ppm1      0.309 ppm2      3.496 CV     1
 ASSI { 1011}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 66   and name HB2 ))
      3.800     1.800     1.800 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.12519E-02 ppm1      0.308 ppm2      1.829 CV     1
 OR { 1011}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 66   and name HB3 ))
 ASSI { 1012}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 66   and name HD2 ))
      2.200     0.600     0.600 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.40878E-02 ppm1      0.309 ppm2      2.684 CV     1
 OR { 1012}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 66   and name HD3 ))
 ASSI { 1013}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 76   and name HB3 ))
      2.300     0.600     0.600 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.38756E-02 ppm1      0.309 ppm2      2.263 CV     1
 OR { 1013}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 76   and name HB2 ))
 ASSI { 1014}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 66   and name HG2 ))
      4.500     2.500     1.500 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.74826E-03 ppm1      0.310 ppm2      2.015 CV     1
 OR { 1014}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 66   and name HG3 ))
 ASSI { 1016}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 60   and name HG3 ))
      2.400     0.700     0.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.41637E-02 ppm1      0.308 ppm2      1.393 CV     1
 OR { 1016}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 60   and name HG2 ))
 ASSI { 1017}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 65   and name HB  ))
      1.900     0.500     0.500 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.77146E-02 ppm1      0.309 ppm2      1.224 CV     1
 ASSI { 1019}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 65   and name HG12))
      2.400     0.700     0.700 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.44718E-02 ppm1      0.309 ppm2      0.748 CV     1
 OR { 1019}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 65   and name HG13))
 ASSI { 1021}
   (  segid "    " and resid 65   and name HG2%)
   (  segid "    " and resid 65   and name HD1%)
      1.900     0.400     0.400 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.11542E-01 ppm1      0.309 ppm2      0.644 CV     1
 ASSI { 1028}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 63   and name HD1%)
      2.200     0.600     0.600 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.78024E-02 ppm1      0.641 ppm2      0.859 CV     1
 ASSI { 1029}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HG12))
      1.800     0.400     0.400 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.14999E-01 ppm1      0.642 ppm2      0.749 CV     1
 OR { 1029}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HG13))
 ASSI { 1030}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 63   and name HB3 ))
      2.500     0.800     0.800 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.66684E-02 ppm1      0.641 ppm2      1.549 CV     1
 OR { 1030}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 1031}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 60   and name HG3 ))
      2.400     0.700     0.700 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.11503E-01 ppm1      0.641 ppm2      1.402 CV     1
 OR { 1031}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 60   and name HG2 ))
 ASSI { 1032}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HB  ))
      2.300     0.600     0.600 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.62665E-02 ppm1      0.641 ppm2      1.226 CV     1
 ASSI { 1034}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 77   and name HG2%)
      3.600     3.600     2.400 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.19755E-02 ppm1      0.643 ppm2      1.649 CV     1
 ASSI { 1036}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 79   and name HB3 ))
      2.600     0.900     0.900 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.41046E-02 ppm1      0.642 ppm2      2.505 CV     1
 OR { 1036}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1037}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 76   and name HB3 ))
      3.000     1.100     1.100 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.20714E-02 ppm1      0.642 ppm2      2.300 CV     1
 OR { 1037}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 76   and name HB2 ))
 ASSI { 1038}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      3.600     1.600     1.600 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.23245E-02 ppm1      0.641 ppm2      3.496 CV     1
 ASSI { 1039}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      2.400     0.700     0.700 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.52819E-02 ppm1      0.641 ppm2      3.339 CV     1
 ASSI { 1040}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 75   and name HB  ))
      3.700     1.700     1.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.59790E-03 ppm1      0.640 ppm2      3.774 CV     1
 ASSI { 1041}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      3.800     1.800     1.800 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.93261E-03 ppm1      0.642 ppm2      4.469 CV     1
 ASSI { 1042}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      3.000     1.100     1.100 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.16300E-02 ppm1      0.641 ppm2      4.281 CV     1
 ASSI { 1043}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 80   and name HA  ))
      3.900     1.900     1.900 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.88751E-03 ppm1      0.643 ppm2      4.517 CV     1
 ASSI { 1044}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 76   and name HD2 ))
      2.900     1.100     1.100 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.15138E-02 ppm1      0.641 ppm2      7.236 CV     1
 ASSI { 1045}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 56   and name HE% )
      2.800     1.000     1.000 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.29809E-02 ppm1      0.642 ppm2      7.070 CV     1
 ASSI { 1046}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 56   and name HZ  ))
      2.600     0.800     0.800 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.31338E-02 ppm1      0.642 ppm2      6.923 CV     1
 ASSI { 1048}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
      3.700     1.700     1.700 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.70479E-03 ppm1      0.642 ppm2      8.254 CV     1
 ASSI { 1049}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
      3.600     1.700     1.700 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.23675E-02 ppm1      0.642 ppm2      7.817 CV     1
 ASSI { 1051}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HA  ))
      4.100     2.100     1.900 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.95304E-03 ppm1      4.279 ppm2      3.896 CV     1
 ASSI { 1055}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
      2.400     0.700     0.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.36113E-02 ppm1      4.279 ppm2      1.811 CV     1
 OR { 1055}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 1056}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 72   and name HD1 ))
      4.500     2.500     1.500 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.67785E-03 ppm1      4.278 ppm2      6.363 CV     1
 ASSI { 1057}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      3.600     1.600     1.600 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.98689E-03 ppm1      4.279 ppm2      7.467 CV     1
 ASSI { 1058}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.200     0.600     0.600 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.71007E-02 ppm1      4.279 ppm2      8.392 CV     1
 ASSI { 1067}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 131  and name HA  ))
      3.000     1.100     1.100 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.69487E-03 ppm1      1.829 ppm2      3.620 CV     1
 OR { 1067}
   (( segid "    " and resid 134  and name HB3 ))
   (( segid "    " and resid 131  and name HA  ))
 ASSI { 1080}
   (( segid "    " and resid 118  and name HD2 ))
   (( segid "    " and resid 118  and name HB2 ))
      3.300     1.300     1.300 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.18340E-02 ppm1      3.155 ppm2      1.810 CV     1
 OR { 1080}
   (( segid "    " and resid 118  and name HD3 ))
   (( segid "    " and resid 118  and name HB2 ))
 OR { 1080}
   (( segid "    " and resid 118  and name HD2 ))
   (( segid "    " and resid 118  and name HB3 ))
 OR { 1080}
   (( segid "    " and resid 118  and name HD3 ))
   (( segid "    " and resid 118  and name HB3 ))
 ASSI { 1094}
   (( segid "    " and resid 118  and name HD3 ))
   (( segid "    " and resid 117  and name HA  ))
      2.400     0.700     0.700 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.48897E-02 ppm1      3.156 ppm2      4.891 CV     1
 OR { 1094}
   (( segid "    " and resid 118  and name HD2 ))
   (( segid "    " and resid 117  and name HA  ))
 ASSI { 1095}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 117  and name HA  ))
      3.500     1.500     1.500 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.98722E-03 ppm1      4.562 ppm2      4.881 CV     1
 ASSI { 1097}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 119  and name HN  ))
      2.100     0.600     0.600 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.97957E-02 ppm1      4.564 ppm2      8.587 CV     1
 ASSI { 1100}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HD3 ))
      3.700     1.700     1.700 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.66839E-03 ppm1      4.563 ppm2      3.151 CV     1
 OR { 1100}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HD2 ))
 ASSI { 1101}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HG3 ))
      2.900     1.100     1.100 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.28655E-02 ppm1      4.564 ppm2      2.012 CV     1
 OR { 1101}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 1102}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB3 ))
      2.400     0.700     0.700 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.38756E-02 ppm1      4.564 ppm2      1.808 CV     1
 OR { 1102}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 1107}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 121  and name HN  ))
      3.000     1.100     1.100 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.62638E-03 ppm1      1.813 ppm2      8.145 CV     1
 OR { 1107}
   (( segid "    " and resid 118  and name HB3 ))
   (( segid "    " and resid 121  and name HN  ))
 ASSI { 1119}
   (( segid "    " and resid 118  and name HB2 ))
   (  segid "    " and resid 121  and name HG1%)
      4.600     2.600     1.400 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.79309E-03 ppm1      1.808 ppm2      0.814 CV     1
 OR { 1119}
   (( segid "    " and resid 118  and name HB3 ))
   (  segid "    " and resid 121  and name HG1%)
 ASSI { 1122}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 76   and name HE1 ))
      3.900     1.900     1.900 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.17448E-02 ppm1      1.815 ppm2      7.894 CV     1
 OR { 1122}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 76   and name HE1 ))
 ASSI { 1127}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name HA  ))
      3.300     1.400     1.400 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.13156E-02 ppm1      1.977 ppm2      4.281 CV     1
 OR { 1127}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 1131}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name HD3 ))
      2.600     0.800     0.800 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.22303E-02 ppm1      1.977 ppm2      2.676 CV     1
 OR { 1131}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HD3 ))
 OR { 1131}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI { 1139}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 76   and name HB3 ))
      3.100     1.200     1.200 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.48014E-02 ppm1      1.978 ppm2      2.266 CV     1
 OR { 1139}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR { 1139}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 76   and name HB3 ))
 OR { 1139}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI { 1144}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.400     1.400     1.400 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.59633E-03 ppm1      1.977 ppm2      5.812 CV     1
 OR { 1144}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1147}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HB2 ))
      3.700     1.700     1.700 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.95824E-03 ppm1      2.677 ppm2      1.828 CV     1
 OR { 1147}
   (( segid "    " and resid 66   and name HD3 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR { 1147}
   (( segid "    " and resid 66   and name HD3 ))
   (( segid "    " and resid 66   and name HB3 ))
 ASSI { 1158}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 72   and name HA  ))
      4.200     2.300     1.800 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.59820E-03 ppm1      2.678 ppm2      5.811 CV     1
 OR { 1158}
   (( segid "    " and resid 66   and name HD3 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1160}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 126  and name HB3 ))
      3.700     1.700     1.700 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.73506E-03 ppm1      3.892 ppm2      3.267 CV     1
 OR { 1160}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 126  and name HB2 ))
 ASSI { 1163}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HG2 ))
      2.400     0.700     0.700 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.72929E-02 ppm1      3.892 ppm2      2.524 CV     1
 OR { 1163}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HG3 ))
 ASSI { 1164}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HB3 ))
      2.200     0.600     0.600 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.76555E-02 ppm1      3.892 ppm2      2.310 CV     1
 OR { 1164}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HB2 ))
 ASSI { 1165}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB3 ))
      2.000     0.500     0.500 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.16172E-01 ppm1      3.893 ppm2      1.757 CV     1
 OR { 1165}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 1168}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG3 ))
      2.900     1.100     1.100 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.25354E-02 ppm1      3.893 ppm2      1.662 CV     1
 OR { 1168}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 1169}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 60   and name HE22))
      2.200     0.600     0.600 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.45491E-02 ppm1      3.893 ppm2      6.376 CV     1
 ASSI { 1170}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 60   and name HE21))
      2.200     0.600     0.600 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.62310E-02 ppm1      3.893 ppm2      6.932 CV     1
 ASSI { 1173}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      3.000     1.100     1.100 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.16074E-02 ppm1      3.893 ppm2      7.468 CV     1
 ASSI { 1174}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.600     0.800     0.800 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.30709E-02 ppm1      3.893 ppm2      8.409 CV     1
 ASSI { 1175}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HN  ))
      2.500     0.800     0.800 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.45851E-02 ppm1      1.755 ppm2      8.392 CV     1
 OR { 1175}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1176}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.40187E-02 ppm1      1.757 ppm2      7.469 CV     1
 OR { 1176}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1178}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 66   and name HA  ))
      4.100     2.100     1.900 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.16524E-02 ppm1      1.758 ppm2      4.280 CV     1
 OR { 1178}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 1189}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 116  and name HB2 ))
      4.700     2.800     1.300 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.69476E-03 ppm1      1.664 ppm2      0.635 CV     1
 OR { 1189}
   (( segid "    " and resid 97   and name HG2 ))
   (( segid "    " and resid 116  and name HB2 ))
 OR { 1189}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 116  and name HB3 ))
 ASSI { 1190}
   (( segid "    " and resid 97   and name HG3 ))
   (  segid "    " and resid 116  and name HD2%)
      3.900     1.900     1.900 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.30276E-02 ppm1      1.667 ppm2      0.504 CV     1
 OR { 1190}
   (( segid "    " and resid 97   and name HG2 ))
   (  segid "    " and resid 116  and name HD2%)
 ASSI { 1191}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 49   and name HG  ))
      2.100     2.100     3.900 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.29105E-01 ppm1      1.497 ppm2      1.653 CV     1
 OR { 1191}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 49   and name HG  ))
 ASSI { 1199}
   (( segid "    " and resid 50   and name HE3 ))
   (  segid "    " and resid 49   and name HD1%)
      4.400     2.400     1.600 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.97722E-03 ppm1      2.991 ppm2      0.892 CV     1
 OR { 1199}
   (( segid "    " and resid 50   and name HE3 ))
   (  segid "    " and resid 49   and name HD2%)
 OR { 1199}
   (( segid "    " and resid 50   and name HE2 ))
   (  segid "    " and resid 49   and name HD1%)
 OR { 1199}
   (( segid "    " and resid 50   and name HE2 ))
   (  segid "    " and resid 49   and name HD2%)
 ASSI { 1203}
   (( segid "    " and resid 42   and name HE2 ))
   (( segid "    " and resid 42   and name HB3 ))
      3.500     1.600     1.600 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.12173E-02 ppm1      2.994 ppm2      1.872 CV     1
 OR { 1203}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HB3 ))
 OR { 1203}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI { 1211}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HE1 ))
      2.600     2.600     3.400 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.21266E-02 ppm1      1.198 ppm2      9.953 CV     1
 ASSI { 1212}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      3.100     1.200     1.200 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.13546E-02 ppm1      1.198 ppm2      8.140 CV     1
 ASSI { 1213}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.000     1.100     1.100 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.12050E-02 ppm1      1.195 ppm2      7.967 CV     1
 ASSI { 1215}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HZ2 ))
      3.400     1.400     1.400 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.70549E-03 ppm1      1.198 ppm2      6.977 CV     1
 ASSI { 1217}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HA  ))
      3.800     1.800     1.800 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.66004E-03 ppm1      1.197 ppm2      5.807 CV     1
 OR { 1217}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HH2 ))
 ASSI { 1218}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
      3.700     1.700     1.700 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.75661E-03 ppm1      1.198 ppm2      4.688 CV     1
 ASSI { 1219}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 102  and name HA1 ))
      4.100     2.100     1.900 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.62741E-03 ppm1      1.198 ppm2      3.722 CV     1
 OR { 1219}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 102  and name HA2 ))
 ASSI { 1220}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.600     0.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.19576E-02 ppm1      1.198 ppm2      3.462 CV     1
 OR { 1220}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 ASSI { 1222}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 105  and name HD2%)
      3.400     1.500     1.500 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.86732E-03 ppm1      1.201 ppm2      1.309 CV     1
 ASSI { 1223}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
      3.500     1.500     1.500 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.14669E-02 ppm1      1.198 ppm2      0.783 CV     1
 OR { 1223}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HG3 ))
 ASSI { 1224}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
      1.900     0.500     0.500 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.98009E-02 ppm1      1.199 ppm2     -0.284 CV     1
 OR { 1224}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 1233}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HD3 ))
      3.500     1.500     1.500 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.84900E-03 ppm1     -0.283 ppm2      3.409 CV     1
 OR { 1233}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HD2 ))
 OR { 1233}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HD3 ))
 ASSI { 1244}
   (  segid "    " and resid 108  and name HD1%)
   (  segid "    " and resid 114  and name HD1%)
      3.100     3.100     2.900 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.13516E-01 ppm1      1.077 ppm2      0.781 CV     1
 ASSI { 1245}
   (( segid "    " and resid 69   and name HG2 ))
   (  segid "    " and resid 108  and name HD1%)
      2.500     2.500     3.500 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.15377E-01 ppm1      0.782 ppm2      1.075 CV     1
 OR { 1245}
   (( segid "    " and resid 69   and name HG3 ))
   (  segid "    " and resid 108  and name HD1%)
 ASSI { 1247}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HB2 ))
      2.400     0.700     0.700 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.22395E-02 ppm1      0.779 ppm2     -0.285 CV     1
 OR { 1247}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HB3 ))
 OR { 1247}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HB3 ))
 ASSI { 1252}
   (( segid "    " and resid 69   and name HG3 ))
   (  segid "    " and resid 129  and name HD2%)
      4.200     2.200     1.800 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.93350E-03 ppm1      0.783 ppm2     -0.022 CV     1
 OR { 1252}
   (( segid "    " and resid 69   and name HG2 ))
   (  segid "    " and resid 129  and name HD2%)
 ASSI { 1262}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HD2 ))
      2.300     0.700     0.700 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.21850E-02 ppm1      0.778 ppm2      3.399 CV     1
 OR { 1262}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HD3 ))
 OR { 1262}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HD3 ))
 ASSI { 1263}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 129  and name HA  ))
      3.900     1.900     1.900 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.62402E-03 ppm1      0.776 ppm2      3.250 CV     1
 OR { 1263}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 129  and name HA  ))
 ASSI { 1266}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 68   and name HA  ))
      4.400     2.500     1.600 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.78140E-03 ppm1      0.781 ppm2      4.695 CV     1
 OR { 1266}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 1269}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
      3.500     1.500     1.500 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.66747E-03 ppm1      0.791 ppm2      7.982 CV     1
 OR { 1269}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI { 1271}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 70   and name HN  ))
      2.400     0.700     0.700 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.10544E-02 ppm1      3.386 ppm2      7.973 CV     1
 OR { 1271}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI { 1273}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 68   and name HA  ))
      2.000     0.500     0.500 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.70332E-02 ppm1      3.388 ppm2      4.697 CV     1
 OR { 1273}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 1275}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 70   and name HD3 ))
      1.800     0.400     0.400 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.15487E-01 ppm1      3.388 ppm2      3.485 CV     1
 OR { 1275}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR { 1275}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 70   and name HD3 ))
 ASSI { 1281}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 133  and name HB3 ))
      3.200     1.300     1.300 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.10911E-02 ppm1      3.384 ppm2      1.781 CV     1
 OR { 1281}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 133  and name HB3 ))
 OR { 1281}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 133  and name HB2 ))
 OR { 1281}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 133  and name HB2 ))
 OR { 1281}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 133  and name HG3 ))
 OR { 1281}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 133  and name HG2 ))
 ASSI { 1292}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 132  and name HB3 ))
      2.900     1.100     1.100 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.11535E-02 ppm1      3.387 ppm2      1.002 CV     1
 OR { 1292}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 132  and name HB2 ))
 OR { 1292}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 132  and name HB2 ))
 ASSI { 1293}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.600     1.600     1.600 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.79924E-03 ppm1      4.466 ppm2      7.925 CV     1
 ASSI { 1294}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.400     1.500     1.500 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.11356E-02 ppm1      4.466 ppm2      8.416 CV     1
 ASSI { 1295}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.300     0.700     0.700 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.66763E-02 ppm1      4.446 ppm2      8.125 CV     1
 ASSI { 1302}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 68   and name HB2 ))
      2.600     2.600     3.400 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.12392E-01 ppm1      2.050 ppm2      2.487 CV     1
 OR { 1302}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 68   and name HB2 ))
 OR { 1302}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 68   and name HB3 ))
 ASSI { 1303}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HG3 ))
      2.100     0.500     0.500 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.11675E-01 ppm1      2.050 ppm2      2.301 CV     1
 OR { 1303}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR { 1303}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HG3 ))
 ASSI { 1306}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HN  ))
      2.900     1.100     1.100 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.23140E-02 ppm1      2.048 ppm2      8.140 CV     1
 OR { 1306}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 1308}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HN  ))
      2.700     0.900     0.900 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.50789E-02 ppm1      2.310 ppm2      8.143 CV     1
 OR { 1308}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 1309}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HE21))
      2.600     0.900     0.900 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.19631E-02 ppm1      2.309 ppm2      7.609 CV     1
 OR { 1309}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HE21))
 ASSI { 1310}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.83672E-03 ppm1      2.309 ppm2      7.470 CV     1
 OR { 1310}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1311}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HE22))
      3.900     1.900     1.900 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.69097E-03 ppm1      2.313 ppm2      6.804 CV     1
 OR { 1311}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HE22))
 ASSI { 1316}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 66   and name HD2 ))
      3.700     1.700     1.700 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.32327E-02 ppm1      2.310 ppm2      2.715 CV     1
 OR { 1316}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 66   and name HD3 ))
 OR { 1316}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI { 1317}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 68   and name HB2 ))
      1.900     1.900     4.100 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.40311E-01 ppm1      2.306 ppm2      2.475 CV     1
 OR { 1317}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 68   and name HB2 ))
 OR { 1317}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 68   and name HB3 ))
 ASSI { 1320}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HA  ))
      2.900     1.000     1.000 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.87585E-03 ppm1      3.446 ppm2      5.812 CV     1
 OR { 1320}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1324}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HE3 ))
      3.000     1.100     1.100 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.94318E-03 ppm1      3.454 ppm2      7.256 CV     1
 OR { 1324}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HE3 ))
 ASSI { 1329}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 102  and name HA1 ))
      2.100     0.500     0.500 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.51735E-02 ppm1      3.444 ppm2      3.722 CV     1
 OR { 1329}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 102  and name HA2 ))
 OR { 1329}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 102  and name HA1 ))
 ASSI { 1336}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 73   and name HN  ))
      2.900     1.000     1.000 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.11401E-02 ppm1      3.495 ppm2     11.168 CV     1
 OR { 1336}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 1337}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 65   and name HG2%)
      4.000     2.000     2.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.87786E-03 ppm1      3.499 ppm2      0.314 CV     1
 OR { 1337}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 65   and name HG2%)
 ASSI { 1338}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.700     0.900     0.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.15218E-02 ppm1      4.806 ppm2     11.167 CV     1
 ASSI { 1339}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      2.400     0.700     0.700 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.65381E-02 ppm1      4.805 ppm2      1.450 CV     1
 ASSI { 1340}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.300     0.700     0.700 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.54868E-02 ppm1      4.805 ppm2      9.483 CV     1
 ASSI { 1342}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
      2.700     0.900     0.900 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.22721E-02 ppm1      4.777 ppm2      1.451 CV     1
 ASSI { 1344}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      1.900     0.500     0.500 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.21468E-01 ppm1      1.450 ppm2      4.772 CV     1
 OR { 1344}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1345}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 76   and name HB2 ))
      4.800     2.900     1.200 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.71715E-03 ppm1      1.448 ppm2      2.261 CV     1
 OR { 1345}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 76   and name HB3 ))
 ASSI { 1346}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
      4.500     2.500     1.500 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.63532E-03 ppm1      1.448 ppm2      2.023 CV     1
 OR { 1346}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HB3 ))
 ASSI { 1347}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      2.200     0.600     0.600 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.81555E-02 ppm1      1.450 ppm2     11.168 CV     1
 ASSI { 1349}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 72   and name HB3 ))
      4.300     2.300     1.700 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.86680E-03 ppm1      1.449 ppm2      3.489 CV     1
 OR { 1349}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1351}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
      3.300     1.400     1.400 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.21755E-02 ppm1      1.450 ppm2      5.811 CV     1
 ASSI { 1354}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      4.400     2.400     1.600 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.82959E-03 ppm1      1.449 ppm2      7.027 CV     1
 ASSI { 1355}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      3.600     1.700     1.700 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.28931E-02 ppm1      1.449 ppm2      9.484 CV     1
 ASSI { 1356}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 77   and name HG2%)
      2.700     0.900     0.900 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.34894E-02 ppm1      4.431 ppm2      1.610 CV     1
 ASSI { 1360}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
      2.800     1.000     1.000 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.37553E-02 ppm1      4.434 ppm2      2.229 CV     1
 OR { 1360}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG3 ))
 ASSI { 1362}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HB  ))
      2.400     0.700     0.700 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.35067E-02 ppm1      4.437 ppm2      2.724 CV     1
 ASSI { 1363}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      3.700     1.700     1.700 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.12700E-02 ppm1      4.434 ppm2      4.777 CV     1
 OR { 1363}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 1364}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.400     1.400     1.400 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.87190E-03 ppm1      4.428 ppm2      7.853 CV     1
 ASSI { 1367}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.800     0.800 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.31013E-02 ppm1      4.431 ppm2      9.484 CV     1
 ASSI { 1372}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      3.500     1.600     1.600 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.66931E-03 ppm1      1.986 ppm2      7.792 CV     1
 OR { 1372}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 1374}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 73   and name HB  ))
      3.700     1.700     1.700 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.14083E-02 ppm1      1.989 ppm2      4.748 CV     1
 OR { 1374}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 1375}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HA  ))
      2.600     0.900     0.900 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.34972E-02 ppm1      1.990 ppm2      4.436 CV     1
 OR { 1375}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1376}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 39   and name HA  ))
      2.200     0.600     0.600 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.42688E-02 ppm1      2.047 ppm2      4.443 CV     1
 OR { 1376}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 1377}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HG2 ))
      2.200     0.600     0.600 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.12003E-01 ppm1      1.989 ppm2      2.236 CV     1
 OR { 1377}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HG3 ))
 OR { 1377}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HG2 ))
 OR { 1377}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HG3 ))
 ASSI { 1378}
   (( segid "    " and resid 115  and name HB3 ))
   (( segid "    " and resid 115  and name HG2 ))
      2.100     0.500     0.500 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.16697E-01 ppm1      2.048 ppm2      2.243 CV     1
 OR { 1378}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115  and name HG3 ))
 OR { 1378}
   (( segid "    " and resid 115  and name HB3 ))
   (( segid "    " and resid 115  and name HG3 ))
 ASSI { 1382}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 73   and name HB  ))
      3.600     1.600     1.600 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.16600E-02 ppm1      2.260 ppm2      4.766 CV     1
 OR { 1382}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 1391}
   (( segid "    " and resid 115  and name HG2 ))
   (( segid "    " and resid 115  and name HB3 ))
      1.900     0.400     0.400 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.27246E-01 ppm1      2.263 ppm2      2.033 CV     1
 OR { 1391}
   (( segid "    " and resid 115  and name HG3 ))
   (( segid "    " and resid 115  and name HB2 ))
 OR { 1391}
   (( segid "    " and resid 115  and name HG2 ))
   (( segid "    " and resid 115  and name HB2 ))
 OR { 1391}
   (( segid "    " and resid 115  and name HG3 ))
   (( segid "    " and resid 115  and name HB3 ))
 ASSI { 1394}
   (( segid "    " and resid 135  and name HG3 ))
   (( segid "    " and resid 135  and name HN  ))
      3.700     1.700     1.700 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.11676E-02 ppm1      2.236 ppm2      7.976 CV     1
 OR { 1394}
   (( segid "    " and resid 135  and name HG2 ))
   (( segid "    " and resid 135  and name HN  ))
 ASSI { 1399}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.600     1.600     1.600 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.73932E-03 ppm1      3.906 ppm2      8.448 CV     1
 ASSI { 1400}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.000     1.200     1.200 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.21599E-02 ppm1      3.904 ppm2      7.817 CV     1
 ASSI { 1401}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.400     1.400     1.400 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.94805E-03 ppm1      3.904 ppm2      7.027 CV     1
 ASSI { 1402}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB  ))
      2.600     0.900     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.48713E-02 ppm1      3.906 ppm2      3.750 CV     1
 ASSI { 1403}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HD2 ))
      4.100     2.100     1.900 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.10736E-02 ppm1      3.907 ppm2      3.159 CV     1
 OR { 1403}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HD3 ))
 ASSI { 1405}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.700     0.900     0.900 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.27011E-02 ppm1      3.905 ppm2      2.077 CV     1
 OR { 1405}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
 ASSI { 1406}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      2.400     0.700     0.700 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.68197E-02 ppm1      3.905 ppm2      1.154 CV     1
 ASSI { 1407}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 75   and name HG2%)
      2.300     0.600     0.600 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.80523E-02 ppm1      3.748 ppm2      1.153 CV     1
 ASSI { 1409}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.27137E-02 ppm1      3.748 ppm2      7.028 CV     1
 ASSI { 1410}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 75   and name HN  ))
      2.700     0.900     0.900 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.26076E-02 ppm1      3.748 ppm2      7.765 CV     1
 ASSI { 1412}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 78   and name HB2 ))
      3.900     1.900     1.900 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.89914E-03 ppm1      1.152 ppm2      2.070 CV     1
 OR { 1412}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 78   and name HB3 ))
 ASSI { 1413}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.12588E-02 ppm1      1.153 ppm2      4.284 CV     1
 ASSI { 1416}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 78   and name HD2 ))
      4.100     2.100     1.900 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.94581E-03 ppm1      1.153 ppm2      3.162 CV     1
 OR { 1416}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 78   and name HD3 ))
 ASSI { 1417}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
      4.000     2.000     2.000 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.13713E-02 ppm1      1.153 ppm2      7.772 CV     1
 ASSI { 1418}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name HD2 ))
      3.300     1.400     1.400 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.12755E-02 ppm1      1.153 ppm2      7.239 CV     1
 ASSI { 1419}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      3.500     1.500     1.500 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.17289E-02 ppm1      1.153 ppm2      7.026 CV     1
 ASSI { 1420}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
      3.600     1.700     1.700 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.96120E-03 ppm1      1.153 ppm2      8.444 CV     1
 ASSI { 1422}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 75   and name HB  ))
      3.800     1.900     1.900 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.67706E-03 ppm1      4.278 ppm2      3.737 CV     1
 ASSI { 1424}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
      2.500     0.800     0.800 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.34130E-02 ppm1      4.275 ppm2      2.265 CV     1
 OR { 1424}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI { 1426}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 65   and name HG12))
      3.900     1.900     1.900 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.12028E-02 ppm1      4.281 ppm2      0.751 CV     1
 OR { 1426}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 65   and name HG13))
 ASSI { 1428}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 65   and name HG2%)
      3.500     1.600     1.600 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.98304E-03 ppm1      4.278 ppm2      0.312 CV     1
 ASSI { 1430}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HD2 ))
      2.400     0.700     0.700 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.43203E-02 ppm1      4.281 ppm2      7.240 CV     1
 ASSI { 1431}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.23590E-02 ppm1      4.280 ppm2      7.029 CV     1
 ASSI { 1432}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      3.400     1.500     1.500 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.84821E-03 ppm1      4.283 ppm2      8.274 CV     1
 ASSI { 1434}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 76   and name HN  ))
      3.800     1.800     1.800 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.10947E-02 ppm1      3.497 ppm2      7.030 CV     1
 OR { 1434}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 1436}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 77   and name HN  ))
      3.100     1.200     1.200 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.10671E-02 ppm1      3.499 ppm2      8.273 CV     1
 OR { 1436}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1443}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 72   and name HB3 ))
      2.100     0.500     0.500 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.59053E-02 ppm1      2.261 ppm2      3.496 CV     1
 OR { 1443}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 72   and name HB3 ))
 OR { 1443}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1445}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.700     1.700     1.700 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.65289E-03 ppm1      2.259 ppm2      5.811 CV     1
 OR { 1445}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1447}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      2.800     1.000     1.000 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.11010E-02 ppm1      2.256 ppm2      8.274 CV     1
 OR { 1447}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1449}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.800     0.800 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.89529E-03 ppm1      2.259 ppm2     11.168 CV     1
 OR { 1449}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 1450}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HG1%)
      2.200     0.600     0.600 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.58719E-02 ppm1      4.085 ppm2      1.689 CV     1
 ASSI { 1451}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HG2%)
      2.200     0.600     0.600 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.68937E-02 ppm1      4.086 ppm2      1.611 CV     1
 ASSI { 1452}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB  ))
      2.700     0.900     0.900 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.26563E-02 ppm1      4.086 ppm2      2.705 CV     1
 ASSI { 1455}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HA  ))
      3.500     1.500     1.500 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.10460E-02 ppm1      4.085 ppm2      3.957 CV     1
 ASSI { 1456}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 72   and name HZ3 ))
      3.000     1.100     1.100 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.14909E-02 ppm1      4.085 ppm2      6.139 CV     1
 ASSI { 1457}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 72   and name HE3 ))
      2.200     0.600     0.600 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.36975E-02 ppm1      4.085 ppm2      7.256 CV     1
 ASSI { 1458}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      3.600     1.700     1.700 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.76002E-03 ppm1      4.085 ppm2      8.691 CV     1
 ASSI { 1460}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.27406E-02 ppm1      4.086 ppm2      8.276 CV     1
 ASSI { 1461}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HE3 ))
      2.500     0.800     0.800 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.24511E-02 ppm1      4.085 ppm2      8.075 CV     1
 ASSI { 1462}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.300     1.300     1.300 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.98413E-03 ppm1      4.086 ppm2      7.830 CV     1
 ASSI { 1463}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
      2.300     0.600     0.600 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.42341E-02 ppm1      2.691 ppm2      8.275 CV     1
 ASSI { 1465}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.31601E-02 ppm1      2.691 ppm2      7.828 CV     1
 ASSI { 1470}
   (( segid "    " and resid 77   and name HB  ))
   (  segid "    " and resid 77   and name HG1%)
      2.100     0.500     0.500 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.61717E-02 ppm1      2.690 ppm2      1.691 CV     1
 ASSI { 1472}
   (  segid "    " and resid 77   and name HG1%)
   (  segid "    " and resid 105  and name HD1%)
      2.200     0.600     0.600 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.35699E-02 ppm1      1.692 ppm2      1.396 CV     1
 ASSI { 1476}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 100  and name HB2 ))
      2.900     1.100     1.100 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.10705E-02 ppm1      1.694 ppm2      2.056 CV     1
 OR { 1476}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 100  and name HB3 ))
 ASSI { 1477}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 74   and name HB3 ))
      4.100     2.100     1.900 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.64023E-03 ppm1      1.696 ppm2      1.974 CV     1
 OR { 1477}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 1479}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 105  and name HB2 ))
      2.300     0.700     0.700 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.44778E-02 ppm1      1.694 ppm2      1.806 CV     1
 OR { 1479}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 105  and name HB3 ))
 ASSI { 1484}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
      2.900     1.100     1.100 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.14773E-02 ppm1      1.694 ppm2      3.968 CV     1
 ASSI { 1485}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 102  and name HA1 ))
      3.100     1.200     1.200 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.51158E-02 ppm1      1.695 ppm2      3.684 CV     1
 OR { 1485}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 102  and name HA2 ))
 ASSI { 1487}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 72   and name HZ3 ))
      4.200     2.200     1.800 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.65473E-03 ppm1      1.695 ppm2      6.137 CV     1
 ASSI { 1488}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 72   and name HE3 ))
      3.400     1.400     1.400 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.20527E-02 ppm1      1.694 ppm2      7.257 CV     1
 ASSI { 1490}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 81   and name HN  ))
      3.800     1.800     1.800 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.78097E-03 ppm1      1.694 ppm2      8.692 CV     1
 ASSI { 1493}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 80   and name HE3 ))
      2.500     0.800     0.800 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.38661E-02 ppm1      1.694 ppm2      8.075 CV     1
 ASSI { 1494}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 78   and name HN  ))
      2.900     1.100     1.100 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.20101E-02 ppm1      1.695 ppm2      7.828 CV     1
 ASSI { 1495}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 102  and name HN  ))
      2.600     0.800     0.800 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.28140E-02 ppm1      1.608 ppm2      8.842 CV     1
 ASSI { 1497}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      1.900     0.500     0.500 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.97339E-02 ppm1      1.608 ppm2      8.277 CV     1
 ASSI { 1498}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 80   and name HE3 ))
      4.000     2.000     2.000 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.10809E-02 ppm1      1.608 ppm2      8.074 CV     1
 ASSI { 1499}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
      3.600     1.600     1.600 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.17584E-02 ppm1      1.608 ppm2      7.830 CV     1
 ASSI { 1500}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      4.400     2.400     1.600 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.94472E-03 ppm1      1.608 ppm2      7.625 CV     1
 ASSI { 1502}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 80   and name HZ3 ))
      4.100     2.100     1.900 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.11238E-02 ppm1      1.608 ppm2      7.135 CV     1
 OR { 1502}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 80   and name HH2 ))
 ASSI { 1503}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      4.000     2.000     2.000 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.93467E-03 ppm1      1.608 ppm2      7.038 CV     1
 ASSI { 1504}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 72   and name HZ3 ))
      3.700     1.800     1.800 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.17971E-02 ppm1      1.608 ppm2      6.138 CV     1
 ASSI { 1505}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
      4.300     2.300     1.700 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.80824E-03 ppm1      1.607 ppm2      5.808 CV     1
 ASSI { 1508}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 101  and name HA  ))
      2.700     0.900     0.900 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.25999E-02 ppm1      1.608 ppm2      4.219 CV     1
 OR { 1508}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 101  and name HB3 ))
 ASSI { 1510}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 102  and name HA1 ))
      2.000     0.500     0.500 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.82956E-02 ppm1      1.608 ppm2      3.720 CV     1
 OR { 1510}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 102  and name HA2 ))
 ASSI { 1511}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 72   and name HB3 ))
      2.000     0.500     0.500 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.41409E-02 ppm1      1.608 ppm2      3.453 CV     1
 OR { 1511}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1512}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 77   and name HB  ))
      1.800     0.400     0.400 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.11406E-01 ppm1      1.608 ppm2      2.692 CV     1
 ASSI { 1513}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 76   and name HB2 ))
      3.400     1.400     1.400 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.17849E-02 ppm1      1.608 ppm2      2.241 CV     1
 OR { 1513}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 76   and name HB3 ))
 ASSI { 1514}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 100  and name HB3 ))
      3.200     1.300     1.300 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.16152E-02 ppm1      1.608 ppm2      2.081 CV     1
 OR { 1514}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 1515}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 80   and name HB3 ))
      3.900     1.900     1.900 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.12565E-02 ppm1      1.608 ppm2      2.787 CV     1
 OR { 1515}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 1516}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 105  and name HG  ))
      4.400     2.400     1.600 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.73820E-03 ppm1      1.607 ppm2      1.888 CV     1
 ASSI { 1517}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 105  and name HB2 ))
      2.400     0.700     0.700 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.22439E-02 ppm1      1.608 ppm2      1.784 CV     1
 OR { 1517}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 105  and name HB3 ))
 ASSI { 1518}
   (  segid "    " and resid 77   and name HG2%)
   (  segid "    " and resid 77   and name HG1%)
      1.800     0.400     0.400 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.17876E-01 ppm1      1.608 ppm2      1.709 CV     1
 ASSI { 1520}
   (  segid "    " and resid 77   and name HG2%)
   (  segid "    " and resid 105  and name HD1%)
      3.100     1.200     1.200 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.32625E-02 ppm1      1.607 ppm2      1.405 CV     1
 ASSI { 1521}
   (  segid "    " and resid 77   and name HG2%)
   (  segid "    " and resid 105  and name HD2%)
      2.100     0.500     0.500 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.62963E-02 ppm1      1.608 ppm2      1.276 CV     1
 ASSI { 1522}
   (  segid "    " and resid 77   and name HG2%)
   (  segid "    " and resid 81   and name HG2%)
      4.300     2.300     1.700 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.87485E-03 ppm1      1.608 ppm2      0.367 CV     1
 ASSI { 1524}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.40515E-02 ppm1      3.967 ppm2      7.832 CV     1
 ASSI { 1525}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      3.900     1.900     1.900 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.91074E-03 ppm1      3.968 ppm2      8.861 CV     1
 ASSI { 1526}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      3.300     1.300     1.300 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.16256E-02 ppm1      3.967 ppm2      8.690 CV     1
 ASSI { 1531}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
      2.300     0.700     0.700 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.64476E-02 ppm1      3.967 ppm2      2.083 CV     1
 OR { 1531}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI { 1533}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HB  ))
      2.200     0.600     0.600 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.21969E-02 ppm1      3.966 ppm2      1.875 CV     1
 ASSI { 1534}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG2 ))
      2.500     0.800     0.800 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.23146E-02 ppm1      3.966 ppm2      1.561 CV     1
 OR { 1534}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG3 ))
 ASSI { 1535}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 81   and name HG2%)
      2.600     0.900     0.900 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.41894E-02 ppm1      3.967 ppm2      0.368 CV     1
 OR { 1535}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 81   and name HG1%)
 ASSI { 1562}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 78   and name HB2 ))
      2.600     0.900     0.900 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.26286E-02 ppm1      1.534 ppm2      2.066 CV     1
 OR { 1562}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HB3 ))
 OR { 1562}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 78   and name HB3 ))
 ASSI { 1564}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 96   and name HB2 ))
      3.200     3.200     2.800 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.46838E-02 ppm1      3.159 ppm2      2.186 CV     1
 OR { 1564}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 96   and name HB3 ))
 OR { 1564}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 96   and name HB2 ))
 OR { 1564}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 96   and name HB3 ))
 ASSI { 1565}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 78   and name HB3 ))
      2.500     0.800     0.800 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.46149E-02 ppm1      3.159 ppm2      2.079 CV     1
 OR { 1565}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR { 1565}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 78   and name HB3 ))
 ASSI { 1566}
   (( segid "    " and resid 78   and name HD3 ))
   (  segid "    " and resid 77   and name HG1%)
      2.700     2.700     3.300 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.10064E-01 ppm1      3.160 ppm2      1.721 CV     1
 OR { 1566}
   (( segid "    " and resid 78   and name HD2 ))
   (  segid "    " and resid 77   and name HG1%)
 ASSI { 1567}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 78   and name HG2 ))
      2.000     0.500     0.500 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.12632E-01 ppm1      3.162 ppm2      1.536 CV     1
 OR { 1567}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 78   and name HG3 ))
 OR { 1567}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 78   and name HG2 ))
 ASSI { 1569}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 81   and name HB  ))
      3.900     1.900     1.900 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.17871E-02 ppm1      3.159 ppm2      1.844 CV     1
 OR { 1569}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 81   and name HB  ))
 ASSI { 1571}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 77   and name HB  ))
      4.500     2.500     1.500 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.75745E-03 ppm1      3.161 ppm2      2.686 CV     1
 OR { 1571}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 77   and name HB  ))
 ASSI { 1572}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 78   and name HA  ))
      3.600     1.700     1.700 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.17324E-02 ppm1      3.159 ppm2      3.956 CV     1
 OR { 1572}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 1575}
   (( segid "    " and resid 78   and name HD2 ))
   (  segid "    " and resid 95   and name HD% )
      3.700     1.800     1.800 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.79932E-03 ppm1      3.159 ppm2      7.298 CV     1
 OR { 1575}
   (( segid "    " and resid 78   and name HD3 ))
   (  segid "    " and resid 95   and name HD% )
 ASSI { 1576}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 78   and name HE  ))
      3.300     1.400     1.400 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.66595E-03 ppm1      3.159 ppm2      6.975 CV     1
 OR { 1576}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 78   and name HE  ))
 ASSI { 1586}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 78   and name HB2 ))
      3.000     1.200     1.200 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.49835E-02 ppm1      2.507 ppm2      2.103 CV     1
 OR { 1586}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 78   and name HB3 ))
 OR { 1586}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR { 1586}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 78   and name HB3 ))
 ASSI { 1589}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 132  and name HD2%)
      2.700     2.700     3.300 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.26363E-02 ppm1      2.510 ppm2      0.865 CV     1
 OR { 1589}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 132  and name HD2%)
 ASSI { 1594}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      3.300     1.300     1.300 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.92033E-03 ppm1      4.535 ppm2      8.695 CV     1
 ASSI { 1595}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.200     1.300     1.300 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.13078E-02 ppm1      4.536 ppm2      8.167 CV     1
 ASSI { 1596}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 56   and name HE% )
      2.700     0.900     0.900 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.32254E-02 ppm1      4.535 ppm2      7.072 CV     1
 ASSI { 1598}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HD1 ))
      3.100     1.200     1.200 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.19202E-02 ppm1      4.535 ppm2      6.046 CV     1
 ASSI { 1601}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
      2.900     1.000     1.000 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.11315E-02 ppm1      4.535 ppm2      3.520 CV     1
 OR { 1601}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI { 1603}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.35471E-02 ppm1      4.534 ppm2      2.766 CV     1
 OR { 1603}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB3 ))
 ASSI { 1604}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 79   and name HB3 ))
      3.300     1.400     1.400 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.80509E-03 ppm1      4.537 ppm2      2.527 CV     1
 ASSI { 1614}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 81   and name HN  ))
      3.400     1.400     1.400 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.14247E-02 ppm1      2.765 ppm2      8.691 CV     1
 OR { 1614}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 1615}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HN  ))
      2.400     0.700     0.700 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.33769E-02 ppm1      2.765 ppm2      8.487 CV     1
 OR { 1615}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1616}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HE3 ))
      2.800     1.000     1.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.15200E-02 ppm1      2.765 ppm2      8.074 CV     1
 OR { 1616}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HE3 ))
 ASSI { 1617}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 56   and name HE% )
      3.400     1.400     1.400 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.75029E-03 ppm1      2.766 ppm2      7.081 CV     1
 OR { 1617}
   (( segid "    " and resid 80   and name HB3 ))
   (  segid "    " and resid 56   and name HE% )
 ASSI { 1618}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 56   and name HZ  ))
      3.300     1.400     1.400 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.82534E-03 ppm1      2.765 ppm2      6.916 CV     1
 OR { 1618}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 56   and name HZ  ))
 ASSI { 1619}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 72   and name HZ3 ))
      3.200     1.300     1.300 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.87388E-03 ppm1      2.767 ppm2      6.137 CV     1
 OR { 1619}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 72   and name HZ3 ))
 ASSI { 1620}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HD1 ))
      3.200     1.300     1.300 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.76780E-03 ppm1      2.765 ppm2      6.043 CV     1
 OR { 1620}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HD1 ))
 ASSI { 1622}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 77   and name HA  ))
      3.100     1.200     1.200 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.12688E-02 ppm1      2.765 ppm2      4.083 CV     1
 OR { 1622}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1624}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB  ))
      2.400     0.700     0.700 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.32707E-02 ppm1      2.675 ppm2      1.868 CV     1
 ASSI { 1628}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 85   and name HG2%)
      4.200     2.200     1.800 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.77081E-03 ppm1      2.677 ppm2      1.042 CV     1
 ASSI { 1629}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
      3.100     1.200     1.200 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.66197E-03 ppm1      2.677 ppm2      0.560 CV     1
 ASSI { 1633}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.200     0.600     0.600 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.42867E-02 ppm1      2.675 ppm2      8.691 CV     1
 ASSI { 1635}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.500     1.500     1.500 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.61711E-03 ppm1      2.675 ppm2      8.164 CV     1
 ASSI { 1636}
   (( segid "    " and resid 81   and name HB  ))
   (( segid "    " and resid 82   and name HN  ))
      2.200     0.600     0.600 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.32837E-02 ppm1      1.867 ppm2      8.863 CV     1
 ASSI { 1637}
   (( segid "    " and resid 81   and name HB  ))
   (( segid "    " and resid 81   and name HN  ))
      2.100     0.600     0.600 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.45152E-02 ppm1      1.868 ppm2      8.692 CV     1
 ASSI { 1638}
   (( segid "    " and resid 81   and name HB  ))
   (  segid "    " and resid 95   and name HD% )
      3.500     1.600     1.600 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.14295E-02 ppm1      1.865 ppm2      7.302 CV     1
 OR { 1638}
   (( segid "    " and resid 81   and name HB  ))
   (  segid "    " and resid 95   and name HE% )
 ASSI { 1643}
   (( segid "    " and resid 81   and name HB  ))
   (  segid "    " and resid 77   and name HG1%)
      3.400     1.500     1.500 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.12476E-02 ppm1      1.872 ppm2      1.677 CV     1
 ASSI { 1644}
   (( segid "    " and resid 81   and name HB  ))
   (  segid "    " and resid 100  and name HE% )
      3.400     3.400     2.600 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.25052E-02 ppm1      1.870 ppm2      1.984 CV     1
 ASSI { 1645}
   (( segid "    " and resid 81   and name HB  ))
   (  segid "    " and resid 81   and name HG2%)
      1.800     0.400     0.400 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.11518E-01 ppm1      1.867 ppm2      0.367 CV     1
 OR { 1645}
   (( segid "    " and resid 81   and name HB  ))
   (  segid "    " and resid 81   and name HG1%)
 ASSI { 1646}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 81   and name HA  ))
      2.200     0.600     0.600 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.82287E-02 ppm1      0.364 ppm2      2.676 CV     1
 ASSI { 1648}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 81   and name HB  ))
      1.900     0.400     0.400 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.11395E-01 ppm1      0.364 ppm2      1.865 CV     1
 ASSI { 1651}
   (  segid "    " and resid 81   and name HG1%)
   (  segid "    " and resid 85   and name HG2%)
      2.400     0.700     0.700 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.10372E-01 ppm1      0.364 ppm2      1.031 CV     1
 ASSI { 1652}
   (  segid "    " and resid 81   and name HG1%)
   (  segid "    " and resid 125  and name HD1%)
      2.100     0.600     0.600 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.56060E-02 ppm1      0.365 ppm2      0.544 CV     1
 ASSI { 1653}
   (  segid "    " and resid 81   and name HG1%)
   (  segid "    " and resid 93   and name HG1%)
      1.900     0.500     0.500 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.13653E-01 ppm1      0.364 ppm2      0.259 CV     1
 ASSI { 1654}
   (  segid "    " and resid 81   and name HG1%)
   (  segid "    " and resid 121  and name HG1%)
      3.700     1.700     1.700 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.19588E-02 ppm1      0.362 ppm2      0.834 CV     1
 ASSI { 1655}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 95   and name HA  ))
      3.400     1.400     1.400 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.15548E-02 ppm1      0.364 ppm2      4.162 CV     1
 ASSI { 1656}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
      2.700     0.900     0.900 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.18229E-02 ppm1      0.364 ppm2      4.081 CV     1
 ASSI { 1657}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
      3.200     1.200     1.200 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.26775E-02 ppm1      0.364 ppm2      3.968 CV     1
 ASSI { 1658}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 93   and name HA  ))
      4.500     2.500     1.500 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.86976E-03 ppm1      0.364 ppm2      3.675 CV     1
 ASSI { 1661}
   (  segid "    " and resid 81   and name HG1%)
   (  segid "    " and resid 98   and name HD% )
      2.900     1.100     1.100 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.18215E-02 ppm1      0.365 ppm2      7.155 CV     1
 ASSI { 1662}
   (  segid "    " and resid 81   and name HG1%)
   (  segid "    " and resid 98   and name HE% )
      3.200     1.300     1.300 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.10109E-02 ppm1      0.364 ppm2      7.000 CV     1
 ASSI { 1663}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 82   and name HN  ))
      2.500     0.800     0.800 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.37580E-02 ppm1      0.364 ppm2      8.855 CV     1
 ASSI { 1664}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 81   and name HN  ))
      3.400     1.500     1.500 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.26514E-02 ppm1      0.364 ppm2      8.692 CV     1
 ASSI { 1666}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 81   and name HA  ))
      2.000     0.500     0.500 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.87702E-02 ppm1      0.369 ppm2      2.678 CV     1
 ASSI { 1667}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 98   and name HB3 ))
      2.800     1.000     1.000 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.25885E-02 ppm1      0.368 ppm2      2.768 CV     1
 OR { 1667}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 98   and name HB2 ))
 ASSI { 1668}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      3.500     1.500     1.500 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.12094E-02 ppm1      0.369 ppm2      4.081 CV     1
 ASSI { 1669}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.23721E-02 ppm1      0.369 ppm2      3.968 CV     1
 ASSI { 1674}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 98   and name HE% )
      3.000     1.100     1.100 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.14269E-02 ppm1      0.369 ppm2      7.005 CV     1
 ASSI { 1675}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
      3.700     1.700     1.700 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.17342E-02 ppm1      0.371 ppm2      8.857 CV     1
 ASSI { 1676}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 81   and name HN  ))
      2.100     0.600     0.600 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.10468E-01 ppm1      0.369 ppm2      8.692 CV     1
 ASSI { 1678}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 80   and name HE3 ))
      2.100     0.500     0.500 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.63644E-02 ppm1      0.369 ppm2      8.074 CV     1
 ASSI { 1680}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 83   and name HN  ))
      4.200     2.300     1.800 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.78593E-03 ppm1      0.370 ppm2      8.160 CV     1
 ASSI { 1681}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 81   and name HB  ))
      1.900     0.400     0.400 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.98556E-02 ppm1      0.368 ppm2      1.865 CV     1
 ASSI { 1682}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 77   and name HG1%)
      2.100     0.500     0.500 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.69197E-02 ppm1      0.369 ppm2      1.696 CV     1
 ASSI { 1686}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 125  and name HD1%)
      2.500     0.800     0.800 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.46615E-02 ppm1      0.369 ppm2      0.564 CV     1
 ASSI { 1688}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 131  and name HG12))
      3.700     1.700     1.700 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.11484E-02 ppm1      4.073 ppm2      1.271 CV     1
 OR { 1688}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 131  and name HG13))
 ASSI { 1690}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.100     1.200     1.200 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.11841E-02 ppm1      4.078 ppm2      8.170 CV     1
 ASSI { 1693}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.700     1.700     1.700 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.88867E-03 ppm1      4.078 ppm2      7.537 CV     1
 ASSI { 1695}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.500     0.800     0.800 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.50066E-02 ppm1      4.078 ppm2      7.393 CV     1
 ASSI { 1696}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      3.200     1.300     1.300 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.15238E-02 ppm1      4.073 ppm2      6.971 CV     1
 ASSI { 1702}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB3 ))
      1.900     0.500     0.500 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.95261E-02 ppm1      4.077 ppm2      2.100 CV     1
 OR { 1702}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI { 1706}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 85   and name HG2%)
      2.600     0.800     0.800 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.47288E-02 ppm1      4.075 ppm2      1.039 CV     1
 OR { 1706}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 85   and name HG1%)
 ASSI { 1723}
   (( segid "    " and resid 82   and name HG2 ))
   (  segid "    " and resid 81   and name HG1%)
      4.500     2.500     1.500 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.61727E-03 ppm1      2.279 ppm2      0.369 CV     1
 OR { 1723}
   (( segid "    " and resid 82   and name HG3 ))
   (  segid "    " and resid 81   and name HG1%)
 ASSI { 1725}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 78   and name HG2 ))
      3.400     3.400     2.600 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.96749E-03 ppm1      2.282 ppm2      1.517 CV     1
 OR { 1725}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 78   and name HG3 ))
 ASSI { 1729}
   (( segid "    " and resid 82   and name HG3 ))
   (  segid "    " and resid 82   and name HE% )
      3.300     1.300     1.300 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.19573E-02 ppm1      2.281 ppm2      1.844 CV     1
 OR { 1729}
   (( segid "    " and resid 82   and name HG2 ))
   (  segid "    " and resid 82   and name HE% )
 ASSI { 1732}
   (( segid "    " and resid 82   and name HG3 ))
   (( segid "    " and resid 82   and name HA  ))
      3.400     1.500     1.500 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.15044E-02 ppm1      2.281 ppm2      4.064 CV     1
 OR { 1732}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 1734}
   (( segid "    " and resid 82   and name HG2 ))
   (  segid "    " and resid 95   and name HE% )
      3.900     1.900     1.900 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.21313E-02 ppm1      2.281 ppm2      7.263 CV     1
 OR { 1734}
   (( segid "    " and resid 82   and name HG3 ))
   (  segid "    " and resid 95   and name HE% )
 OR { 1734}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 95   and name HZ  ))
 ASSI { 1737}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HN  ))
      2.600     0.800     0.800 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.31262E-02 ppm1      2.280 ppm2      8.861 CV     1
 OR { 1737}
   (( segid "    " and resid 82   and name HG3 ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 1738}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 95   and name HZ  ))
      3.000     1.100     1.100 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.46195E-02 ppm1      1.840 ppm2      7.293 CV     1
 OR { 1738}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 95   and name HE% )
 ASSI { 1739}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 86   and name HD22))
      4.200     2.300     1.800 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.68267E-03 ppm1      1.840 ppm2      6.807 CV     1
 ASSI { 1740}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 82   and name HN  ))
      4.600     2.600     1.400 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.12312E-02 ppm1      1.839 ppm2      8.855 CV     1
 ASSI { 1742}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 82   and name HA  ))
      3.900     1.900     1.900 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.24527E-02 ppm1      1.842 ppm2      4.081 CV     1
 ASSI { 1744}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 78   and name HD2 ))
      3.000     3.000     3.000 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.34547E-02 ppm1      1.841 ppm2      3.163 CV     1
 OR { 1744}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 78   and name HD3 ))
 ASSI { 1748}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 82   and name HB3 ))
      2.100     0.500     0.500 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.95746E-02 ppm1      1.836 ppm2      2.117 CV     1
 OR { 1748}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 82   and name HB2 ))
 ASSI { 1749}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 85   and name HG1%)
      3.500     1.500     1.500 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.18488E-02 ppm1      1.838 ppm2      1.059 CV     1
 OR { 1749}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 85   and name HG2%)
 ASSI { 1750}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 93   and name HG2%)
      3.300     3.300     2.700 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.44591E-02 ppm1      1.836 ppm2      0.614 CV     1
 ASSI { 1751}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 81   and name HG1%)
      4.600     2.600     1.400 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.10117E-02 ppm1      1.835 ppm2      0.358 CV     1
 ASSI { 1754}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 84   and name HN  ))
      2.700     0.900     0.900 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.17362E-02 ppm1      3.513 ppm2      8.461 CV     1
 OR { 1754}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 84   and name HN  ))
 ASSI { 1755}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 83   and name HN  ))
      2.500     0.800     0.800 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.38796E-02 ppm1      3.513 ppm2      8.167 CV     1
 OR { 1755}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 1758}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
      4.400     2.400     1.600 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.96044E-03 ppm1      3.513 ppm2      7.625 CV     1
 OR { 1758}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 1759}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HD1 ))
      3.000     1.200     1.200 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.14542E-02 ppm1      3.512 ppm2      7.362 CV     1
 OR { 1759}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 83   and name HD1 ))
 ASSI { 1764}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 82   and name HA  ))
      2.800     2.800     3.200 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.82295E-02 ppm1      3.513 ppm2      4.052 CV     1
 OR { 1764}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 1766}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 82   and name HG3 ))
      3.600     1.600     1.600 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.11341E-02 ppm1      3.513 ppm2      2.307 CV     1
 OR { 1766}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 82   and name HG3 ))
 OR { 1766}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 82   and name HG2 ))
 OR { 1766}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI { 1767}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.200     0.600     0.600 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.72631E-02 ppm1      4.153 ppm2      3.513 CV     1
 OR { 1767}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
 ASSI { 1768}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 86   and name HB3 ))
      3.000     1.100     1.100 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.15315E-02 ppm1      4.153 ppm2      2.717 CV     1
 OR { 1768}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
 ASSI { 1770}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 110  and name HE2 ))
      2.900     2.900     3.100 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.38357E-02 ppm1      4.146 ppm2      2.524 CV     1
 OR { 1770}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 110  and name HE3 ))
 ASSI { 1771}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 115  and name HG2 ))
      3.600     1.600     1.600 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.17730E-02 ppm1      4.146 ppm2      2.246 CV     1
 OR { 1771}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 115  and name HG3 ))
 ASSI { 1772}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 115  and name HB3 ))
      2.700     0.900     0.900 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.27565E-02 ppm1      4.148 ppm2      2.048 CV     1
 OR { 1772}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 115  and name HB2 ))
 ASSI { 1776}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.400     1.400 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.97231E-03 ppm1      4.150 ppm2      7.546 CV     1
 ASSI { 1778}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 115  and name HN  ))
      3.100     1.200     1.200 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.20422E-02 ppm1      4.148 ppm2      7.043 CV     1
 ASSI { 1779}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.500     0.800     0.800 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.46870E-02 ppm1      4.152 ppm2      8.167 CV     1
 ASSI { 1780}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HN  ))
      2.500     0.800     0.800 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.45290E-02 ppm1      4.148 ppm2      7.896 CV     1
 ASSI { 1784}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 84   and name HB% )
      2.100     0.500     0.500 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.10241E-01 ppm1      3.020 ppm2      1.185 CV     1
 ASSI { 1787}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.800     0.900     0.900 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.23765E-02 ppm1      3.021 ppm2      0.208 CV     1
 OR { 1787}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI { 1789}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      3.400     1.500     1.500 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.11261E-02 ppm1      3.018 ppm2      7.788 CV     1
 ASSI { 1792}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 88   and name HE% )
      3.300     1.400     1.400 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.12858E-02 ppm1      3.020 ppm2      7.256 CV     1
 ASSI { 1793}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.200     1.300     1.300 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.11720E-02 ppm1      3.021 ppm2      8.835 CV     1
 ASSI { 1794}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.400     0.700     0.700 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.50719E-02 ppm1      3.020 ppm2      8.456 CV     1
 ASSI { 1795}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 85   and name HA  ))
      3.400     1.400     1.400 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.85889E-03 ppm1      1.183 ppm2      3.386 CV     1
 ASSI { 1797}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 81   and name HA  ))
      3.500     1.500     1.500 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.61633E-02 ppm1      1.184 ppm2      2.676 CV     1
 ASSI { 1798}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 85   and name HB  ))
      4.300     2.300     1.700 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.75701E-03 ppm1      1.184 ppm2      2.341 CV     1
 ASSI { 1799}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 125  and name HG  ))
      2.800     1.000     1.000 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.13661E-02 ppm1      1.183 ppm2      1.817 CV     1
 ASSI { 1802}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 85   and name HG2%)
      2.700     0.900     0.900 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.63839E-02 ppm1      1.184 ppm2      1.065 CV     1
 OR { 1802}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 85   and name HG1%)
 ASSI { 1804}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 49   and name HD2%)
      3.000     1.100     1.100 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.11220E-02 ppm1      1.183 ppm2      0.908 CV     1
 OR { 1804}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 49   and name HD1%)
 ASSI { 1805}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 49   and name HD2%)
      3.000     1.100     1.100 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.10564E-02 ppm1      1.182 ppm2      0.861 CV     1
 ASSI { 1806}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 90   and name HD1%)
      2.700     2.700     3.300 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.56887E-02 ppm1      1.184 ppm2      0.722 CV     1
 ASSI { 1808}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 125  and name HD2%)
      1.900     0.400     0.400 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.15691E-01 ppm1      1.184 ppm2      0.328 CV     1
 ASSI { 1809}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 82   and name HA  ))
      4.100     2.100     1.900 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.12675E-02 ppm1      1.184 ppm2      4.058 CV     1
 ASSI { 1810}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 83   and name HN  ))
      4.000     2.000     2.000 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.10649E-02 ppm1      1.184 ppm2      8.168 CV     1
 ASSI { 1812}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 125  and name HN  ))
      3.000     1.200     1.200 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.42732E-02 ppm1      1.184 ppm2      7.624 CV     1
 ASSI { 1814}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 88   and name HE% )
      2.800     1.000     1.000 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.24674E-02 ppm1      1.183 ppm2      7.263 CV     1
 OR { 1814}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 88   and name HZ  ))
 ASSI { 1815}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      2.200     0.600     0.600 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.64167E-02 ppm1      1.184 ppm2      8.835 CV     1
 ASSI { 1816}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 84   and name HN  ))
      2.000     0.500     0.500 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.13186E-01 ppm1      1.184 ppm2      8.460 CV     1
 ASSI { 1817}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.800     1.000     1.000 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.40680E-02 ppm1      3.370 ppm2      7.979 CV     1
 ASSI { 1818}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.100     1.200     1.200 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.82184E-03 ppm1      3.370 ppm2      7.538 CV     1
 ASSI { 1819}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.400     0.700     0.700 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.27338E-02 ppm1      3.370 ppm2      8.834 CV     1
 ASSI { 1824}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 84   and name HA  ))
      2.900     2.900     3.100 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.25845E-02 ppm1      3.371 ppm2      2.993 CV     1
 ASSI { 1825}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB  ))
      2.500     0.800     0.800 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.21849E-02 ppm1      3.370 ppm2      2.332 CV     1
 ASSI { 1827}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 90   and name HB3 ))
      2.800     1.000     1.000 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.25479E-02 ppm1      3.370 ppm2      1.341 CV     1
 OR { 1827}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 90   and name HB2 ))
 ASSI { 1829}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 85   and name HG2%)
      2.000     0.500     0.500 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.94133E-02 ppm1      3.371 ppm2      1.047 CV     1
 OR { 1829}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 85   and name HG1%)
 ASSI { 1831}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 90   and name HD1%)
      1.800     0.400     0.400 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.48803E-02 ppm1      3.371 ppm2      0.723 CV     1
 ASSI { 1834}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 82   and name HA  ))
      2.000     0.500     0.500 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.39328E-02 ppm1      2.329 ppm2      4.076 CV     1
 ASSI { 1836}
   (( segid "    " and resid 85   and name HB  ))
   (  segid "    " and resid 85   and name HG1%)
      1.800     0.400     0.400 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.10039E-01 ppm1      2.330 ppm2      1.053 CV     1
 OR { 1836}
   (( segid "    " and resid 85   and name HB  ))
   (  segid "    " and resid 85   and name HG2%)
 ASSI { 1838}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 86   and name HN  ))
      2.400     0.700     0.700 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.26272E-02 ppm1      2.328 ppm2      7.538 CV     1
 ASSI { 1839}
   (( segid "    " and resid 85   and name HB  ))
   (  segid "    " and resid 95   and name HE% )
      4.300     2.400     1.700 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.11783E-02 ppm1      2.328 ppm2      7.283 CV     1
 OR { 1839}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 95   and name HZ  ))
 ASSI { 1840}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 90   and name HN  ))
      4.600     2.700     1.400 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.63308E-03 ppm1      2.330 ppm2      7.979 CV     1
 ASSI { 1842}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 85   and name HN  ))
      2.100     0.500     0.500 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.56464E-02 ppm1      2.330 ppm2      8.835 CV     1
 ASSI { 1843}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 85   and name HA  ))
      2.300     0.700     0.700 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.57863E-02 ppm1      1.075 ppm2      3.372 CV     1
 ASSI { 1845}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
      3.000     1.200     1.200 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.19519E-02 ppm1      1.074 ppm2      4.089 CV     1
 ASSI { 1846}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 90   and name HN  ))
      2.900     1.000     1.000 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.25546E-02 ppm1      1.075 ppm2      7.979 CV     1
 ASSI { 1848}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 89   and name HN  ))
      4.200     2.200     1.800 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.74287E-03 ppm1      1.076 ppm2      7.399 CV     1
 ASSI { 1849}
   (  segid "    " and resid 85   and name HG1%)
   (  segid "    " and resid 95   and name HE% )
      3.100     1.200     1.200 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.28734E-02 ppm1      1.075 ppm2      7.283 CV     1
 OR { 1849}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 95   and name HZ  ))
 OR { 1849}
   (  segid "    " and resid 85   and name HG1%)
   (  segid "    " and resid 95   and name HD% )
 ASSI { 1851}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 85   and name HB  ))
      1.800     0.400     0.400 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.11454E-01 ppm1      1.075 ppm2      2.330 CV     1
 ASSI { 1853}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.18157E-02 ppm1      1.075 ppm2      1.738 CV     1
 ASSI { 1854}
   (  segid "    " and resid 85   and name HG1%)
   (  segid "    " and resid 90   and name HD1%)
      3.500     1.600     1.600 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.19614E-02 ppm1      1.074 ppm2      0.729 CV     1
 ASSI { 1856}
   (  segid "    " and resid 85   and name HG1%)
   (  segid "    " and resid 90   and name HD2%)
      4.300     2.300     1.700 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.18993E-02 ppm1      1.067 ppm2      0.882 CV     1
 ASSI { 1857}
   (  segid "    " and resid 85   and name HG1%)
   (  segid "    " and resid 121  and name HG1%)
      4.100     2.100     1.900 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.11722E-02 ppm1      1.071 ppm2      0.828 CV     1
 ASSI { 1858}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 90   and name HB3 ))
      2.400     0.700     0.700 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.15940E-02 ppm1      1.072 ppm2      1.334 CV     1
 OR { 1858}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 90   and name HB2 ))
 ASSI { 1862}
   (  segid "    " and resid 85   and name HG1%)
   (  segid "    " and resid 93   and name HG1%)
      3.800     1.800     1.800 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.11436E-02 ppm1      1.075 ppm2      0.267 CV     1
 ASSI { 1863}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 90   and name HB3 ))
      2.500     0.800     0.800 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.29877E-02 ppm1      1.025 ppm2      1.340 CV     1
 OR { 1863}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 90   and name HB2 ))
 ASSI { 1865}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 117  and name HB% )
      3.000     3.000     3.000 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.76083E-02 ppm1      1.025 ppm2      1.138 CV     1
 ASSI { 1866}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 90   and name HD1%)
      1.900     0.400     0.400 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.69793E-02 ppm1      1.026 ppm2      0.722 CV     1
 ASSI { 1868}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 116  and name HD2%)
      4.700     2.700     1.300 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.62351E-03 ppm1      1.025 ppm2      0.493 CV     1
 ASSI { 1870}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 93   and name HG1%)
      2.700     0.900     0.900 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.66126E-02 ppm1      1.026 ppm2      0.282 CV     1
 ASSI { 1872}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 93   and name HB  ))
      2.500     0.800     0.800 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.50917E-02 ppm1      1.027 ppm2      1.721 CV     1
 ASSI { 1873}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 85   and name HB  ))
      1.800     0.400     0.400 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.12464E-01 ppm1      1.026 ppm2      2.330 CV     1
 ASSI { 1874}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 85   and name HA  ))
      2.000     0.500     0.500 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.90301E-02 ppm1      1.026 ppm2      3.371 CV     1
 ASSI { 1877}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      2.600     0.800     0.800 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.45748E-02 ppm1      1.026 ppm2      4.078 CV     1
 ASSI { 1879}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 93   and name HN  ))
      4.300     2.300     1.700 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.84583E-03 ppm1      1.026 ppm2      8.085 CV     1
 ASSI { 1880}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 90   and name HN  ))
      4.200     2.200     1.800 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.12335E-02 ppm1      1.026 ppm2      7.979 CV     1
 ASSI { 1883}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 85   and name HN  ))
      2.000     0.500     0.500 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.11259E-01 ppm1      1.026 ppm2      8.835 CV     1
 ASSI { 1884}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.500     0.800     0.800 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.47697E-02 ppm1      4.431 ppm2      7.540 CV     1
 ASSI { 1885}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      2.900     1.000     1.000 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.20698E-02 ppm1      4.434 ppm2      7.402 CV     1
 ASSI { 1886}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      3.100     1.200     1.200 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.14556E-02 ppm1      4.430 ppm2      8.447 CV     1
 ASSI { 1889}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 85   and name HG1%)
      2.600     0.900     0.900 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.29360E-02 ppm1      4.429 ppm2      1.071 CV     1
 ASSI { 1891}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      2.400     0.700     0.700 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.54193E-02 ppm1      2.685 ppm2      4.431 CV     1
 OR { 1891}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 1892}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 95   and name HA  ))
      2.600     0.900     0.900 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.16176E-02 ppm1      2.759 ppm2      4.153 CV     1
 OR { 1892}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 95   and name HA  ))
 ASSI { 1895}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 81   and name HA  ))
      2.200     2.200     3.800 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.37065E-01 ppm1      2.759 ppm2      2.666 CV     1
 OR { 1895}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 1896}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 94   and name HB2 ))
      3.800     1.800     1.800 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.80360E-03 ppm1      2.757 ppm2      2.557 CV     1
 OR { 1896}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 94   and name HB2 ))
 ASSI { 1897}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 99   and name HB2 ))
      3.500     1.600     1.600 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.21517E-02 ppm1      2.757 ppm2      2.857 CV     1
 OR { 1897}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 99   and name HB2 ))
 OR { 1897}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 99   and name HB3 ))
 ASSI { 1899}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 88   and name HB2 ))
      4.300     2.300     1.700 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.12976E-02 ppm1      2.680 ppm2      2.570 CV     1
 OR { 1899}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 88   and name HB2 ))
 OR { 1899}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 88   and name HB3 ))
 ASSI { 1901}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 86   and name HD22))
      3.600     1.600     1.600 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.13353E-02 ppm1      2.684 ppm2      6.804 CV     1
 OR { 1901}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HD22))
 ASSI { 1903}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 86   and name HD21))
      2.700     0.900     0.900 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.23528E-02 ppm1      2.684 ppm2      7.710 CV     1
 OR { 1903}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HD21))
 ASSI { 1904}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
      3.200     1.300     1.300 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.52220E-02 ppm1      2.756 ppm2      7.538 CV     1
 OR { 1904}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 97   and name HN  ))
 ASSI { 1905}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 86   and name HN  ))
      2.200     0.600     0.600 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.57613E-02 ppm1      2.682 ppm2      7.539 CV     1
 OR { 1905}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HN  ))
 ASSI { 1906}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 100  and name HN  ))
      2.800     2.800     3.200 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.24689E-02 ppm1      2.757 ppm2      8.440 CV     1
 OR { 1906}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
 ASSI { 1907}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 87   and name HN  ))
      3.300     1.400     1.400 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.25469E-02 ppm1      2.683 ppm2      8.439 CV     1
 OR { 1907}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI { 1908}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.500     0.800     0.800 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.48019E-02 ppm1      3.551 ppm2      8.439 CV     1
 ASSI { 1909}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      3.200     1.300     1.300 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.14097E-02 ppm1      3.551 ppm2      7.788 CV     1
 ASSI { 1910}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      3.500     1.500     1.500 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.70462E-03 ppm1      3.551 ppm2      7.389 CV     1
 ASSI { 1911}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
      3.500     1.600     1.600 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.73696E-03 ppm1      3.550 ppm2      2.686 CV     1
 ASSI { 1914}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG3 ))
      3.000     1.100     1.100 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.27896E-02 ppm1      3.551 ppm2      1.006 CV     1
 OR { 1914}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI { 1916}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
      2.600     0.800     0.800 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.36206E-02 ppm1      3.550 ppm2      0.207 CV     1
 OR { 1916}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI { 1917}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 48   and name HB% )
      3.000     3.000     3.000 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.26240E-02 ppm1      0.205 ppm2      1.440 CV     1
 OR { 1917}
   (( segid "    " and resid 87   and name HB3 ))
   (  segid "    " and resid 48   and name HB% )
 ASSI { 1918}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 87   and name HG2 ))
      2.700     0.900     0.900 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.26681E-02 ppm1      0.205 ppm2      1.007 CV     1
 OR { 1918}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HG3 ))
 OR { 1918}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HG2 ))
 OR { 1918}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 87   and name HG3 ))
 ASSI { 1929}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 88   and name HN  ))
      2.800     1.000     1.000 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.16579E-02 ppm1      0.206 ppm2      7.790 CV     1
 OR { 1929}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 88   and name HN  ))
 ASSI { 1930}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 88   and name HD% )
      3.300     1.300     1.300 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.10226E-02 ppm1      0.205 ppm2      7.163 CV     1
 OR { 1930}
   (( segid "    " and resid 87   and name HB3 ))
   (  segid "    " and resid 88   and name HD% )
 ASSI { 1932}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HN  ))
      2.500     0.800     0.800 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.31758E-02 ppm1      0.206 ppm2      8.439 CV     1
 OR { 1932}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI { 1937}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HB3 ))
      2.600     0.900     0.900 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.30146E-02 ppm1      1.004 ppm2      0.197 CV     1
 OR { 1937}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR { 1937}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI { 1943}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 89   and name HN  ))
      3.500     1.600     1.600 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.95586E-03 ppm1      1.006 ppm2      7.381 CV     1
 OR { 1943}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 89   and name HN  ))
 ASSI { 1944}
   (( segid "    " and resid 87   and name HG3 ))
   (  segid "    " and resid 88   and name HD% )
      3.500     1.500     1.500 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.11609E-02 ppm1      1.005 ppm2      7.158 CV     1
 OR { 1944}
   (( segid "    " and resid 87   and name HG2 ))
   (  segid "    " and resid 88   and name HD% )
 ASSI { 1946}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 87   and name HN  ))
      4.200     2.300     1.800 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.80374E-03 ppm1      1.003 ppm2      8.440 CV     1
 OR { 1946}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI { 1948}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 88   and name HD% )
      2.600     0.900     0.900 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.32883E-02 ppm1      4.651 ppm2      7.171 CV     1
 ASSI { 1951}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 85   and name HA  ))
      3.500     3.500     2.500 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.37967E-02 ppm1      4.654 ppm2      3.403 CV     1
 ASSI { 1952}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB3 ))
      2.600     0.800     0.800 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.27682E-02 ppm1      4.652 ppm2      2.566 CV     1
 OR { 1952}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI { 1955}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 90   and name HD1%)
      4.900     3.000     1.100 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.60023E-03 ppm1      4.658 ppm2      0.715 CV     1
 ASSI { 1957}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 90   and name HG  ))
      2.200     0.600     0.600 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.21489E-02 ppm1      2.564 ppm2      1.804 CV     1
 OR { 1957}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 90   and name HG  ))
 ASSI { 1965}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
      2.200     0.600     0.600 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.87090E-02 ppm1      2.567 ppm2      3.405 CV     1
 OR { 1965}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI { 1968}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HN  ))
      2.500     0.800     0.800 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.16086E-02 ppm1      2.568 ppm2      7.788 CV     1
 OR { 1968}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 88   and name HN  ))
 ASSI { 1969}
   (( segid "    " and resid 88   and name HB2 ))
   (  segid "    " and resid 88   and name HD% )
      2.600     0.800     0.800 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.19935E-02 ppm1      2.569 ppm2      7.169 CV     1
 OR { 1969}
   (( segid "    " and resid 88   and name HB3 ))
   (  segid "    " and resid 88   and name HD% )
 ASSI { 1972}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.400     0.700     0.700 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.45149E-02 ppm1      4.120 ppm2      7.978 CV     1
 ASSI { 1973}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      2.100     0.600     0.600 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.10433E-01 ppm1      4.118 ppm2      7.392 CV     1
 ASSI { 1974}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      4.500     2.500     1.500 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.75845E-03 ppm1      4.121 ppm2      7.783 CV     1
 ASSI { 1976}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB2 ))
      2.100     0.500     0.500 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.14974E-01 ppm1      4.116 ppm2      4.006 CV     1
 OR { 1976}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB3 ))
 ASSI { 1977}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 85   and name HG1%)
      4.200     2.200     1.800 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.87016E-03 ppm1      4.125 ppm2      1.064 CV     1
 ASSI { 1980}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 89   and name HN  ))
      3.100     1.200     1.200 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.27460E-02 ppm1      4.001 ppm2      7.398 CV     1
 OR { 1980}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
 ASSI { 1981}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
      3.600     1.600     1.600 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.10004E-02 ppm1      4.001 ppm2      7.984 CV     1
 OR { 1981}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 90   and name HN  ))
 ASSI { 1984}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      2.300     2.300     3.700 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.97255E-02 ppm1      4.404 ppm2      8.558 CV     1
 ASSI { 1985}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.800     1.000     1.000 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.20053E-02 ppm1      4.404 ppm2      7.988 CV     1
 ASSI { 1986}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HB2 ))
      2.400     0.700     0.700 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.40030E-02 ppm1      4.403 ppm2      1.343 CV     1
 OR { 1986}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HB3 ))
 ASSI { 1987}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HG  ))
      2.700     0.900     0.900 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.46914E-02 ppm1      4.404 ppm2      1.807 CV     1
 ASSI { 1989}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 85   and name HG2%)
      4.800     2.800     1.200 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.83564E-03 ppm1      4.407 ppm2      1.031 CV     1
 ASSI { 1999}
   (( segid "    " and resid 90   and name HB2 ))
   (  segid "    " and resid 90   and name HD2%)
      2.700     0.900     0.900 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.26970E-02 ppm1      1.341 ppm2      0.889 CV     1
 OR { 1999}
   (( segid "    " and resid 90   and name HB3 ))
   (  segid "    " and resid 90   and name HD2%)
 ASSI { 2006}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 85   and name HA  ))
      4.800     2.800     1.200 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.65384E-03 ppm1      4.405 ppm2      3.357 CV     1
 ASSI { 2010}
   (( segid "    " and resid 90   and name HB3 ))
   (( segid "    " and resid 90   and name HN  ))
      3.000     1.100     1.100 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.12822E-02 ppm1      1.341 ppm2      7.977 CV     1
 OR { 2010}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
 ASSI { 2011}
   (( segid "    " and resid 90   and name HB3 ))
   (( segid "    " and resid 91   and name HN  ))
      3.000     1.200     1.200 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.10296E-02 ppm1      1.341 ppm2      8.557 CV     1
 OR { 2011}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 91   and name HN  ))
 ASSI { 2012}
   (( segid "    " and resid 90   and name HG  ))
   (( segid "    " and resid 90   and name HN  ))
      2.100     0.600     0.600 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.24894E-02 ppm1      1.803 ppm2      7.982 CV     1
 ASSI { 2014}
   (( segid "    " and resid 90   and name HG  ))
   (( segid "    " and resid 85   and name HA  ))
      2.200     0.600     0.600 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.28324E-02 ppm1      1.804 ppm2      3.384 CV     1
 ASSI { 2018}
   (( segid "    " and resid 90   and name HG  ))
   (( segid "    " and resid 90   and name HB3 ))
      2.700     0.900     0.900 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.11467E-02 ppm1      1.804 ppm2      1.329 CV     1
 OR { 2018}
   (( segid "    " and resid 90   and name HG  ))
   (( segid "    " and resid 90   and name HB2 ))
 ASSI { 2021}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 90   and name HB2 ))
      2.200     0.600     0.600 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.47114E-02 ppm1      0.721 ppm2      1.348 CV     1
 OR { 2021}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 90   and name HB3 ))
 ASSI { 2024}
   (  segid "    " and resid 90   and name HD1%)
   (  segid "    " and resid 90   and name HD2%)
      1.800     0.400     0.400 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.18670E-01 ppm1      0.722 ppm2      0.904 CV     1
 ASSI { 2027}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 88   and name HB2 ))
      2.900     1.000     1.000 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.16736E-02 ppm1      0.721 ppm2      2.566 CV     1
 OR { 2027}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 88   and name HB3 ))
 ASSI { 2030}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 90   and name HA  ))
      3.900     1.900     1.900 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.12613E-02 ppm1      0.722 ppm2      4.403 CV     1
 ASSI { 2031}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 90   and name HN  ))
      4.000     2.000     2.000 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.12707E-02 ppm1      0.721 ppm2      7.981 CV     1
 ASSI { 2032}
   (  segid "    " and resid 90   and name HD1%)
   (  segid "    " and resid 88   and name HD% )
      3.100     1.200     1.200 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.16628E-02 ppm1      0.722 ppm2      7.167 CV     1
 ASSI { 2033}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 85   and name HN  ))
      4.000     2.000     2.000 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.10475E-02 ppm1      0.721 ppm2      8.835 CV     1
 ASSI { 2035}
   (  segid "    " and resid 132  and name HD2%)
   (( segid "    " and resid 132  and name HN  ))
      3.500     1.500     1.500 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.26489E-02 ppm1      0.888 ppm2      8.363 CV     1
 ASSI { 2036}
   (  segid "    " and resid 90   and name HD2%)
   (( segid "    " and resid 90   and name HN  ))
      2.900     1.100     1.100 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.30726E-02 ppm1      0.891 ppm2      7.981 CV     1
 ASSI { 2040}
   (  segid "    " and resid 90   and name HD2%)
   (  segid "    " and resid 88   and name HD% )
      3.600     1.700     1.700 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.20183E-02 ppm1      0.891 ppm2      7.178 CV     1
 ASSI { 2041}
   (  segid "    " and resid 108  and name HD2%)
   (  segid "    " and resid 113  and name HD% )
      2.600     0.800     0.800 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.17792E-02 ppm1      0.889 ppm2      7.301 CV     1
 ASSI { 2043}
   (  segid "    " and resid 132  and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      2.700     0.900     0.900 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.22217E-02 ppm1      0.888 ppm2      6.521 CV     1
 ASSI { 2045}
   (  segid "    " and resid 132  and name HD2%)
   (( segid "    " and resid 72   and name HH2 ))
      2.900     1.100     1.100 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.77571E-03 ppm1      0.888 ppm2      5.802 CV     1
 ASSI { 2046}
   (  segid "    " and resid 90   and name HD2%)
   (( segid "    " and resid 90   and name HA  ))
      2.100     0.500     0.500 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.12551E-01 ppm1      0.892 ppm2      4.405 CV     1
 ASSI { 2048}
   (  segid "    " and resid 90   and name HD2%)
   (( segid "    " and resid 121  and name HA  ))
      3.100     1.200     1.200 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.29238E-02 ppm1      0.892 ppm2      3.630 CV     1
 ASSI { 2049}
   (  segid "    " and resid 90   and name HD2%)
   (( segid "    " and resid 85   and name HA  ))
      3.000     1.100     1.100 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.71246E-02 ppm1      0.892 ppm2      3.398 CV     1
 ASSI { 2051}
   (  segid "    " and resid 90   and name HD2%)
   (( segid "    " and resid 88   and name HB3 ))
      2.100     0.600     0.600 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.49204E-02 ppm1      0.893 ppm2      2.567 CV     1
 OR { 2051}
   (  segid "    " and resid 90   and name HD2%)
   (( segid "    " and resid 88   and name HB2 ))
 ASSI { 2052}
   (  segid "    " and resid 90   and name HD2%)
   (( segid "    " and resid 90   and name HG  ))
      1.900     0.400     0.400 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.15290E-01 ppm1      0.892 ppm2      1.807 CV     1
 ASSI { 2053}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 100  and name HB2 ))
      4.100     2.100     1.900 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.69465E-03 ppm1      0.895 ppm2      2.073 CV     1
 OR { 2053}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 100  and name HB3 ))
 ASSI { 2058}
   (  segid "    " and resid 132  and name HD2%)
   (( segid "    " and resid 132  and name HB2 ))
      1.900     0.400     0.400 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.20650E-01 ppm1      0.889 ppm2      1.007 CV     1
 OR { 2058}
   (  segid "    " and resid 132  and name HD2%)
   (( segid "    " and resid 132  and name HB3 ))
 ASSI { 2060}
   (  segid "    " and resid 132  and name HD2%)
   (  segid "    " and resid 132  and name HD1%)
      1.900     0.500     0.500 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.16741E-01 ppm1      0.889 ppm2     -0.087 CV     1
 ASSI { 2061}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      2.400     0.700     0.700 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.25745E-02 ppm1      4.621 ppm2      8.540 CV     1
 ASSI { 2062}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      2.700     0.900     0.900 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.25615E-02 ppm1      4.622 ppm2      8.507 CV     1
 ASSI { 2063}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      3.400     1.400     1.400 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.93949E-03 ppm1      4.620 ppm2      8.089 CV     1
 ASSI { 2065}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 92   and name HA1 ))
      3.700     1.700     1.700 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.11139E-02 ppm1      4.623 ppm2      3.692 CV     1
 OR { 2065}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 92   and name HA2 ))
 ASSI { 2066}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB2 ))
      2.300     0.700     0.700 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.65926E-02 ppm1      4.621 ppm2      1.780 CV     1
 OR { 2066}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB3 ))
 ASSI { 2067}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HG2 ))
      2.800     1.000     1.000 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.26290E-02 ppm1      4.621 ppm2      1.655 CV     1
 OR { 2067}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HG3 ))
 ASSI { 2068}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HD3 ))
      3.500     1.500     1.500 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.19128E-02 ppm1      4.621 ppm2      1.444 CV     1
 OR { 2068}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HD2 ))
 ASSI { 2069}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 85   and name HG1%)
      3.400     1.500     1.500 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.76533E-03 ppm1      4.619 ppm2      1.076 CV     1
 ASSI { 2078}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 91   and name HD2 ))
      2.600     0.800     0.800 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.47729E-02 ppm1      1.812 ppm2      1.428 CV     1
 OR { 2078}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HD2 ))
 OR { 2078}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 91   and name HD3 ))
 ASSI { 2091}
   (( segid "    " and resid 91   and name HD3 ))
   (( segid "    " and resid 91   and name HN  ))
      3.600     1.600     1.600 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.11052E-02 ppm1      1.424 ppm2      8.557 CV     1
 OR { 2091}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 91   and name HN  ))
 ASSI { 2113}
   (( segid "    " and resid 92   and name HA2 ))
   (( segid "    " and resid 92   and name HN  ))
      3.100     1.200     1.200 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.15173E-02 ppm1      3.690 ppm2      8.480 CV     1
 OR { 2113}
   (( segid "    " and resid 92   and name HA1 ))
   (( segid "    " and resid 92   and name HN  ))
 ASSI { 2115}
   (( segid "    " and resid 92   and name HA1 ))
   (( segid "    " and resid 93   and name HN  ))
      3.200     1.300     1.300 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.14075E-02 ppm1      3.692 ppm2      8.082 CV     1
 OR { 2115}
   (( segid "    " and resid 92   and name HA2 ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI { 2117}
   (( segid "    " and resid 92   and name HA2 ))
   (( segid "    " and resid 118  and name HG2 ))
      3.600     1.600     1.600 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.81447E-03 ppm1      3.691 ppm2      2.044 CV     1
 OR { 2117}
   (( segid "    " and resid 92   and name HA2 ))
   (( segid "    " and resid 118  and name HG3 ))
 OR { 2117}
   (( segid "    " and resid 92   and name HA1 ))
   (( segid "    " and resid 118  and name HG2 ))
 OR { 2117}
   (( segid "    " and resid 92   and name HA1 ))
   (( segid "    " and resid 118  and name HG3 ))
 ASSI { 2119}
   (( segid "    " and resid 92   and name HA1 ))
   (( segid "    " and resid 91   and name HB2 ))
      3.900     1.900     1.900 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.66386E-03 ppm1      3.689 ppm2      1.794 CV     1
 OR { 2119}
   (( segid "    " and resid 92   and name HA1 ))
   (( segid "    " and resid 91   and name HB3 ))
 OR { 2119}
   (( segid "    " and resid 92   and name HA2 ))
   (( segid "    " and resid 91   and name HB3 ))
 OR { 2119}
   (( segid "    " and resid 92   and name HA2 ))
   (( segid "    " and resid 91   and name HB2 ))
 ASSI { 2120}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.700     0.900     0.900 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.25267E-02 ppm1      3.645 ppm2      8.082 CV     1
 ASSI { 2121}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.000     0.500     0.500 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.11567E-01 ppm1      3.645 ppm2      8.971 CV     1
 ASSI { 2123}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 118  and name HD3 ))
      3.300     1.400     1.400 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.82891E-03 ppm1      3.644 ppm2      3.158 CV     1
 OR { 2123}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 118  and name HD2 ))
 ASSI { 2129}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.25269E-02 ppm1      3.644 ppm2      1.735 CV     1
 ASSI { 2131}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 93   and name HG1%)
      2.400     0.700     0.700 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.64123E-02 ppm1      3.644 ppm2      0.274 CV     1
 ASSI { 2135}
   (( segid "    " and resid 93   and name HB  ))
   (  segid "    " and resid 81   and name HG1%)
      4.200     2.200     1.800 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.61508E-03 ppm1      1.734 ppm2      0.365 CV     1
 ASSI { 2137}
   (( segid "    " and resid 93   and name HB  ))
   (( segid "    " and resid 93   and name HN  ))
      2.200     0.600     0.600 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.59321E-02 ppm1      1.730 ppm2      8.080 CV     1
 ASSI { 2139}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 95   and name HA  ))
      2.600     0.900     0.900 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.27084E-02 ppm1      0.272 ppm2      4.167 CV     1
 ASSI { 2142}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 93   and name HB  ))
      1.900     0.500     0.500 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.13256E-01 ppm1      0.273 ppm2      1.731 CV     1
 ASSI { 2148}
   (  segid "    " and resid 93   and name HG1%)
   (  segid "    " and resid 121  and name HG1%)
      4.000     2.000     2.000 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.13171E-02 ppm1      0.272 ppm2      0.818 CV     1
 ASSI { 2149}
   (  segid "    " and resid 93   and name HG1%)
   (  segid "    " and resid 90   and name HD1%)
      5.000     3.100     1.000 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.86648E-03 ppm1      0.272 ppm2      0.713 CV     1
 ASSI { 2150}
   (  segid "    " and resid 93   and name HG1%)
   (  segid "    " and resid 93   and name HG2%)
      1.900     0.400     0.400 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.20823E-01 ppm1      0.273 ppm2      0.587 CV     1
 ASSI { 2152}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 94   and name HA  ))
      3.600     1.600     1.600 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.94648E-03 ppm1      0.273 ppm2      4.787 CV     1
 ASSI { 2153}
   (  segid "    " and resid 93   and name HG1%)
   (  segid "    " and resid 95   and name HD% )
      2.500     0.800     0.800 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.36368E-02 ppm1      0.272 ppm2      7.296 CV     1
 OR { 2153}
   (  segid "    " and resid 93   and name HG1%)
   (  segid "    " and resid 95   and name HE% )
 ASSI { 2155}
   (  segid "    " and resid 93   and name HG1%)
   (  segid "    " and resid 98   and name HE% )
      2.500     0.800     0.800 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.37824E-02 ppm1      0.273 ppm2      6.992 CV     1
 ASSI { 2156}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 98   and name HZ  ))
      3.600     1.700     1.700 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.92846E-03 ppm1      0.273 ppm2      6.637 CV     1
 ASSI { 2157}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 94   and name HN  ))
      2.500     0.800     0.800 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.47355E-02 ppm1      0.273 ppm2      8.971 CV     1
 ASSI { 2159}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 93   and name HN  ))
      3.500     1.500     1.500 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.22594E-02 ppm1      0.272 ppm2      8.081 CV     1
 ASSI { 2161}
   (  segid "    " and resid 93   and name HG2%)
   (  segid "    " and resid 81   and name HG1%)
      2.800     1.000     1.000 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.36525E-02 ppm1      0.585 ppm2      0.381 CV     1
 ASSI { 2163}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 90   and name HB3 ))
      3.000     1.100     1.100 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.32615E-02 ppm1      0.584 ppm2      1.338 CV     1
 OR { 2163}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 90   and name HB2 ))
 ASSI { 2164}
   (  segid "    " and resid 93   and name HG2%)
   (  segid "    " and resid 85   and name HG2%)
      1.800     0.400     0.400 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.12828E-01 ppm1      0.585 ppm2      1.043 CV     1
 ASSI { 2165}
   (  segid "    " and resid 93   and name HG2%)
   (  segid "    " and resid 121  and name HG1%)
      2.000     0.500     0.500 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.14226E-01 ppm1      0.584 ppm2      0.837 CV     1
 ASSI { 2166}
   (  segid "    " and resid 93   and name HG2%)
   (  segid "    " and resid 90   and name HD1%)
      2.900     1.100     1.100 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.82753E-02 ppm1      0.585 ppm2      0.710 CV     1
 ASSI { 2167}
   (  segid "    " and resid 93   and name HG2%)
   (  segid "    " and resid 117  and name HB% )
      2.700     0.900     0.900 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.28411E-02 ppm1      0.586 ppm2      1.158 CV     1
 ASSI { 2168}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 93   and name HB  ))
      1.900     0.400     0.400 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.13917E-01 ppm1      0.585 ppm2      1.735 CV     1
 ASSI { 2172}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 93   and name HA  ))
      2.000     0.500     0.500 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.92117E-02 ppm1      0.585 ppm2      3.646 CV     1
 ASSI { 2173}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 85   and name HA  ))
      4.700     2.700     1.300 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.95369E-03 ppm1      0.585 ppm2      3.369 CV     1
 ASSI { 2174}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 118  and name HD2 ))
      2.800     1.000     1.000 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.22236E-02 ppm1      0.585 ppm2      3.157 CV     1
 OR { 2174}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 118  and name HD3 ))
 ASSI { 2176}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 117  and name HA  ))
      4.000     2.000     2.000 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.68191E-03 ppm1      0.585 ppm2      4.892 CV     1
 ASSI { 2177}
   (  segid "    " and resid 93   and name HG2%)
   (  segid "    " and resid 95   and name HE% )
      4.100     2.100     1.900 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.10483E-02 ppm1      0.585 ppm2      7.292 CV     1
 OR { 2177}
   (  segid "    " and resid 93   and name HG2%)
   (  segid "    " and resid 95   and name HD% )
 OR { 2177}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 95   and name HZ  ))
 ASSI { 2178}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 93   and name HN  ))
      2.600     0.900     0.900 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.88190E-02 ppm1      0.585 ppm2      8.082 CV     1
 ASSI { 2179}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 122  and name HN  ))
      4.200     2.200     1.800 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.65427E-03 ppm1      0.588 ppm2      7.960 CV     1
 ASSI { 2180}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 94   and name HN  ))
      3.600     1.600     1.600 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.18512E-02 ppm1      0.586 ppm2      8.971 CV     1
 ASSI { 2182}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      3.100     1.200     1.200 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.11638E-02 ppm1      4.799 ppm2      8.977 CV     1
 ASSI { 2189}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 97   and name HE3 ))
      2.300     2.300     3.700 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.18125E-01 ppm1      2.563 ppm2      2.965 CV     1
 OR { 2189}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 97   and name HE2 ))
 OR { 2189}
   (( segid "    " and resid 94   and name HB3 ))
   (( segid "    " and resid 97   and name HE3 ))
 OR { 2189}
   (( segid "    " and resid 94   and name HB3 ))
   (( segid "    " and resid 97   and name HE2 ))
 ASSI { 2193}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 97   and name HD2 ))
      4.700     2.800     1.300 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.68449E-03 ppm1      2.565 ppm2      1.319 CV     1
 OR { 2193}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 97   and name HD3 ))
 OR { 2193}
   (( segid "    " and resid 94   and name HB3 ))
   (( segid "    " and resid 97   and name HD2 ))
 ASSI { 2194}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 116  and name HG  ))
      4.100     2.100     1.900 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.11093E-02 ppm1      2.565 ppm2      1.592 CV     1
 OR { 2194}
   (( segid "    " and resid 94   and name HB3 ))
   (( segid "    " and resid 116  and name HG  ))
 ASSI { 2195}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 97   and name HG3 ))
      4.000     2.000     2.000 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.97033E-03 ppm1      2.565 ppm2      1.664 CV     1
 OR { 2195}
   (( segid "    " and resid 94   and name HB3 ))
   (( segid "    " and resid 97   and name HG3 ))
 OR { 2195}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 97   and name HG2 ))
 ASSI { 2197}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 93   and name HA  ))
      4.700     2.700     1.300 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.65194E-03 ppm1      2.565 ppm2      3.644 CV     1
 OR { 2197}
   (( segid "    " and resid 94   and name HB3 ))
   (( segid "    " and resid 93   and name HA  ))
 ASSI { 2199}
   (( segid "    " and resid 94   and name HB3 ))
   (( segid "    " and resid 94   and name HA  ))
      2.600     0.800     0.800 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.35081E-02 ppm1      2.563 ppm2      4.795 CV     1
 OR { 2199}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HA  ))
 ASSI { 2201}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
      2.600     0.900     0.900 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.28696E-02 ppm1      2.563 ppm2      8.971 CV     1
 OR { 2201}
   (( segid "    " and resid 94   and name HB3 ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI { 2202}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      2.600     0.900     0.900 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.23920E-02 ppm1      4.167 ppm2      8.505 CV     1
 ASSI { 2203}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      3.600     1.700     1.700 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.98808E-03 ppm1      4.168 ppm2      7.538 CV     1
 ASSI { 2205}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 98   and name HD% )
      2.900     1.000     1.000 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.32704E-02 ppm1      4.167 ppm2      7.151 CV     1
 ASSI { 2207}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 94   and name HA  ))
      4.300     2.300     1.700 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.62280E-03 ppm1      4.168 ppm2      4.804 CV     1
 ASSI { 2208}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 93   and name HA  ))
      3.900     1.900     1.900 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.89025E-03 ppm1      4.168 ppm2      3.678 CV     1
 ASSI { 2210}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HB3 ))
      2.400     0.700     0.700 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.37542E-02 ppm1      4.167 ppm2      3.056 CV     1
 OR { 2210}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HB2 ))
 ASSI { 2212}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 81   and name HG1%)
      3.500     1.600     1.600 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.17356E-02 ppm1      4.168 ppm2      0.368 CV     1
 OR { 2212}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 81   and name HG2%)
 ASSI { 2219}
   (( segid "    " and resid 95   and name HB2 ))
   (  segid "    " and resid 95   and name HD% )
      2.900     1.000     1.000 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.18909E-02 ppm1      3.056 ppm2      7.300 CV     1
 OR { 2219}
   (( segid "    " and resid 95   and name HB3 ))
   (  segid "    " and resid 95   and name HD% )
 ASSI { 2221}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HN  ))
      2.800     1.000     1.000 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.21815E-02 ppm1      3.056 ppm2      8.499 CV     1
 OR { 2221}
   (( segid "    " and resid 95   and name HB3 ))
   (( segid "    " and resid 95   and name HN  ))
 ASSI { 2222}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
      2.500     0.800     0.800 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.43233E-02 ppm1      4.247 ppm2      8.553 CV     1
 ASSI { 2223}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.900     1.100     1.100 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.18035E-02 ppm1      4.248 ppm2      7.537 CV     1
 ASSI { 2225}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 95   and name HB2 ))
      3.100     1.200     1.200 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.16197E-02 ppm1      4.248 ppm2      3.068 CV     1
 OR { 2225}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 95   and name HB3 ))
 ASSI { 2226}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.800     1.000     1.000 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.25721E-02 ppm1      4.248 ppm2      2.868 CV     1
 OR { 2226}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HB3 ))
 ASSI { 2227}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HG3 ))
      3.000     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.27964E-02 ppm1      4.249 ppm2      2.427 CV     1
 OR { 2227}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI { 2229}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB3 ))
      2.300     0.600     0.600 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.83417E-02 ppm1      4.249 ppm2      2.191 CV     1
 OR { 2229}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI { 2234}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HG2 ))
      2.300     0.700     0.700 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.80322E-02 ppm1      2.190 ppm2      2.434 CV     1
 OR { 2234}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HG3 ))
 OR { 2234}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HG3 ))
 ASSI { 2243}
   (( segid "    " and resid 96   and name HG3 ))
   (( segid "    " and resid 96   and name HN  ))
      3.500     1.500     1.500 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.19230E-02 ppm1      2.430 ppm2      8.553 CV     1
 OR { 2243}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 96   and name HN  ))
 ASSI { 2246}
   (( segid "    " and resid 96   and name HG3 ))
   (( segid "    " and resid 94   and name HB3 ))
      2.000     2.000     4.000 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.70397E-01 ppm1      2.428 ppm2      2.530 CV     1
 OR { 2246}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 94   and name HB3 ))
 OR { 2246}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 94   and name HB2 ))
 ASSI { 2252}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.500     0.800     0.800 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.38235E-02 ppm1      3.989 ppm2      7.538 CV     1
 ASSI { 2256}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HE3 ))
      4.400     2.400     1.600 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.86011E-03 ppm1      3.989 ppm2      2.983 CV     1
 OR { 2256}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HE2 ))
 ASSI { 2262}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB3 ))
      2.500     0.800     0.800 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.45984E-02 ppm1      3.993 ppm2      1.806 CV     1
 OR { 2262}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB2 ))
 ASSI { 2263}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 116  and name HG  ))
      3.000     3.000     3.000 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.10134E-01 ppm1      3.993 ppm2      1.622 CV     1
 ASSI { 2264}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HD3 ))
      2.400     0.700     0.700 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.59429E-02 ppm1      3.988 ppm2      1.330 CV     1
 OR { 2264}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HD2 ))
 ASSI { 2266}
   (( segid "    " and resid 97   and name HB3 ))
   (( segid "    " and resid 97   and name HN  ))
      2.400     0.700     0.700 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.30663E-02 ppm1      1.804 ppm2      7.538 CV     1
 OR { 2266}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
 ASSI { 2267}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 98   and name HN  ))
      2.900     1.000     1.000 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.27001E-02 ppm1      1.798 ppm2      7.270 CV     1
 OR { 2267}
   (( segid "    " and resid 97   and name HB3 ))
   (( segid "    " and resid 98   and name HN  ))
 ASSI { 2270}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 98   and name HD% )
      3.400     1.500     1.500 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.62234E-03 ppm1      1.802 ppm2      7.147 CV     1
 OR { 2270}
   (( segid "    " and resid 97   and name HB3 ))
   (  segid "    " and resid 98   and name HD% )
 ASSI { 2273}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 116  and name HA  ))
      4.300     2.300     1.700 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.98462E-03 ppm1      1.802 ppm2      3.832 CV     1
 OR { 2273}
   (( segid "    " and resid 97   and name HB3 ))
   (( segid "    " and resid 116  and name HA  ))
 ASSI { 2283}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 116  and name HD2%)
      3.900     1.900     1.900 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.11335E-02 ppm1      1.808 ppm2      0.509 CV     1
 OR { 2283}
   (( segid "    " and resid 97   and name HB3 ))
   (  segid "    " and resid 116  and name HD2%)
 ASSI { 2285}
   (( segid "    " and resid 116  and name HG  ))
   (( segid "    " and resid 113  and name HZ  ))
      2.900     2.900     3.100 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.22268E-02 ppm1      1.584 ppm2      7.538 CV     1
 ASSI { 2286}
   (( segid "    " and resid 97   and name HD3 ))
   (( segid "    " and resid 97   and name HN  ))
      3.700     1.700     1.700 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.22389E-02 ppm1      1.329 ppm2      7.538 CV     1
 OR { 2286}
   (( segid "    " and resid 97   and name HD2 ))
   (( segid "    " and resid 97   and name HN  ))
 ASSI { 2287}
   (( segid "    " and resid 116  and name HG  ))
   (( segid "    " and resid 113  and name HA  ))
      3.200     1.300     1.300 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.36132E-02 ppm1      1.587 ppm2      3.982 CV     1
 ASSI { 2291}
   (( segid "    " and resid 97   and name HD2 ))
   (( segid "    " and resid 97   and name HB2 ))
      2.400     0.700     0.700 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.41041E-02 ppm1      1.330 ppm2      1.806 CV     1
 OR { 2291}
   (( segid "    " and resid 97   and name HD3 ))
   (( segid "    " and resid 97   and name HB2 ))
 OR { 2291}
   (( segid "    " and resid 97   and name HD2 ))
   (( segid "    " and resid 97   and name HB3 ))
 OR { 2291}
   (( segid "    " and resid 97   and name HD3 ))
   (( segid "    " and resid 97   and name HB3 ))
 ASSI { 2293}
   (( segid "    " and resid 116  and name HG  ))
   (( segid "    " and resid 97   and name HB2 ))
      2.400     0.700     0.700 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.58188E-02 ppm1      1.587 ppm2      1.799 CV     1
 OR { 2293}
   (( segid "    " and resid 116  and name HG  ))
   (( segid "    " and resid 97   and name HB3 ))
 ASSI { 2294}
   (( segid "    " and resid 116  and name HG  ))
   (( segid "    " and resid 97   and name HD2 ))
      1.700     0.300     0.500 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.13633E-01 ppm1      1.582 ppm2      1.328 CV     1
 OR { 2294}
   (( segid "    " and resid 116  and name HG  ))
   (( segid "    " and resid 97   and name HD3 ))
 ASSI { 2298}
   (( segid "    " and resid 97   and name HE2 ))
   (( segid "    " and resid 97   and name HD3 ))
      2.400     0.700     0.700 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.36764E-02 ppm1      2.974 ppm2      1.322 CV     1
 OR { 2298}
   (( segid "    " and resid 97   and name HE3 ))
   (( segid "    " and resid 97   and name HD2 ))
 OR { 2298}
   (( segid "    " and resid 97   and name HE3 ))
   (( segid "    " and resid 97   and name HD3 ))
 ASSI { 2299}
   (( segid "    " and resid 97   and name HE2 ))
   (( segid "    " and resid 116  and name HG  ))
      3.000     1.100     1.100 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.69088E-02 ppm1      2.974 ppm2      1.588 CV     1
 OR { 2299}
   (( segid "    " and resid 97   and name HE3 ))
   (( segid "    " and resid 116  and name HG  ))
 ASSI { 2301}
   (( segid "    " and resid 97   and name HE2 ))
   (  segid "    " and resid 116  and name HD2%)
      4.300     2.300     1.700 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.17047E-02 ppm1      2.975 ppm2      0.505 CV     1
 OR { 2301}
   (( segid "    " and resid 97   and name HE3 ))
   (  segid "    " and resid 116  and name HD2%)
 ASSI { 2302}
   (( segid "    " and resid 97   and name HE2 ))
   (( segid "    " and resid 116  and name HA  ))
      3.000     1.100     1.100 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.12334E-02 ppm1      2.972 ppm2      3.795 CV     1
 OR { 2302}
   (( segid "    " and resid 97   and name HE3 ))
   (( segid "    " and resid 116  and name HA  ))
 ASSI { 2305}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 98   and name HD% )
      2.600     0.800     0.800 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.32127E-02 ppm1      4.410 ppm2      7.147 CV     1
 ASSI { 2307}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 123  and name HN  ))
      2.400     0.700     0.700 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.34338E-02 ppm1      4.408 ppm2      8.027 CV     1
 ASSI { 2313}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB3 ))
      2.000     0.500     0.500 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.99741E-02 ppm1      4.405 ppm2      2.748 CV     1
 OR { 2313}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB2 ))
 ASSI { 2314}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 123  and name HB2 ))
      2.100     0.500     0.500 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.78281E-02 ppm1      4.408 ppm2      2.680 CV     1
 OR { 2314}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 123  and name HB3 ))
 ASSI { 2316}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 116  and name HD1%)
      2.700     0.900     0.900 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.15583E-02 ppm1      4.404 ppm2      0.308 CV     1
 ASSI { 2321}
   (( segid "    " and resid 98   and name HB3 ))
   (  segid "    " and resid 81   and name HG2%)
      2.900     1.000     1.000 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.16582E-02 ppm1      2.765 ppm2      0.368 CV     1
 OR { 2321}
   (( segid "    " and resid 98   and name HB3 ))
   (  segid "    " and resid 81   and name HG1%)
 OR { 2321}
   (( segid "    " and resid 98   and name HB2 ))
   (  segid "    " and resid 81   and name HG2%)
 ASSI { 2324}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 93   and name HA  ))
      2.700     2.700     3.300 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.13726E-01 ppm1      2.766 ppm2      3.679 CV     1
 OR { 2324}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 93   and name HA  ))
 ASSI { 2327}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HN  ))
      2.400     0.700     0.700 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.37474E-02 ppm1      2.766 ppm2      7.272 CV     1
 OR { 2327}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 98   and name HN  ))
 ASSI { 2328}
   (( segid "    " and resid 98   and name HB3 ))
   (  segid "    " and resid 98   and name HD% )
      2.400     0.700     0.700 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.27121E-02 ppm1      2.766 ppm2      7.152 CV     1
 OR { 2328}
   (( segid "    " and resid 98   and name HB2 ))
   (  segid "    " and resid 98   and name HD% )
 ASSI { 2333}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 100  and name HG3 ))
      3.400     1.400     1.400 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.66473E-03 ppm1      2.868 ppm2      2.213 CV     1
 OR { 2333}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 100  and name HG3 ))
 OR { 2333}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 100  and name HG2 ))
 OR { 2333}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 100  and name HG2 ))
 ASSI { 2337}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HA  ))
      2.400     0.700     0.700 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.72013E-02 ppm1      2.868 ppm2      4.729 CV     1
 OR { 2337}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 99   and name HA  ))
 ASSI { 2341}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 100  and name HN  ))
      4.300     2.300     1.700 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.87610E-03 ppm1      2.867 ppm2      8.440 CV     1
 OR { 2341}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
 ASSI { 2347}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 104  and name HA  ))
      4.000     2.000     2.000 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.29105E-02 ppm1      4.786 ppm2      4.068 CV     1
 ASSI { 2350}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HG3 ))
      2.800     1.000     1.000 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.16993E-02 ppm1      4.777 ppm2      2.227 CV     1
 OR { 2350}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HG2 ))
 ASSI { 2352}
   (( segid "    " and resid 100  and name HA  ))
   (  segid "    " and resid 104  and name HB% )
      2.700     0.900     0.900 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.24504E-02 ppm1      4.775 ppm2      1.499 CV     1
 ASSI { 2353}
   (( segid "    " and resid 100  and name HA  ))
   (  segid "    " and resid 108  and name HD2%)
      4.500     2.500     1.500 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.10697E-02 ppm1      4.784 ppm2      0.857 CV     1
 ASSI { 2355}
   (( segid "    " and resid 100  and name HB3 ))
   (( segid "    " and resid 100  and name HA  ))
      2.400     0.700     0.700 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.42729E-02 ppm1      2.079 ppm2      4.776 CV     1
 OR { 2355}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HA  ))
 ASSI { 2357}
   (( segid "    " and resid 100  and name HB3 ))
   (( segid "    " and resid 101  and name HN  ))
      3.100     1.200     1.200 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.22843E-02 ppm1      2.081 ppm2      8.505 CV     1
 OR { 2357}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 101  and name HN  ))
 ASSI { 2364}
   (( segid "    " and resid 100  and name HB3 ))
   (( segid "    " and resid 100  and name HG2 ))
      2.400     0.700     0.700 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      2.078 ppm2      2.223 CV     1
 OR { 2364}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HG2 ))
 OR { 2364}
   (( segid "    " and resid 100  and name HB3 ))
   (( segid "    " and resid 100  and name HG3 ))
 ASSI { 2371}
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 105  and name HB2 ))
      3.900     1.900     1.900 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.12548E-02 ppm1      2.218 ppm2      1.765 CV     1
 OR { 2371}
   (( segid "    " and resid 100  and name HG3 ))
   (( segid "    " and resid 105  and name HB2 ))
 OR { 2371}
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 105  and name HB3 ))
 ASSI { 2382}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 98   and name HA  ))
      1.900     0.400     0.400 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.11272E-01 ppm1      2.017 ppm2      4.410 CV     1
 ASSI { 2383}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 105  and name HA  ))
      2.800     1.000     1.000 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.26856E-02 ppm1      2.019 ppm2      4.320 CV     1
 ASSI { 2384}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 113  and name HA  ))
      3.700     1.700     1.700 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.14235E-02 ppm1      2.017 ppm2      3.981 CV     1
 ASSI { 2386}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 100  and name HA  ))
      3.200     1.300     1.300 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.24002E-02 ppm1      2.017 ppm2      4.777 CV     1
 ASSI { 2387}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 99   and name HN  ))
      3.200     1.300     1.300 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.29357E-02 ppm1      2.017 ppm2      7.212 CV     1
 ASSI { 2388}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 100  and name HN  ))
      2.900     1.100     1.100 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.21627E-02 ppm1      2.017 ppm2      8.444 CV     1
 ASSI { 2389}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 105  and name HN  ))
      4.900     3.000     1.100 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.69088E-03 ppm1      2.017 ppm2      8.314 CV     1
 ASSI { 2392}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 100  and name HG2 ))
      2.100     0.500     0.500 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.13272E-01 ppm1      2.017 ppm2      2.218 CV     1
 OR { 2392}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 100  and name HG3 ))
 ASSI { 2393}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 97   and name HB2 ))
      3.800     1.800     1.800 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.17419E-02 ppm1      2.014 ppm2      1.823 CV     1
 OR { 2393}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 97   and name HB3 ))
 ASSI { 2394}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 105  and name HB2 ))
      3.600     1.600     1.600 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.15860E-02 ppm1      2.015 ppm2      1.757 CV     1
 OR { 2394}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 105  and name HB3 ))
 ASSI { 2395}
   (  segid "    " and resid 100  and name HE% )
   (  segid "    " and resid 77   and name HG1%)
      2.900     1.000     1.000 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.20223E-02 ppm1      2.016 ppm2      1.690 CV     1
 ASSI { 2396}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 116  and name HG  ))
      3.500     1.600     1.600 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.23796E-02 ppm1      2.016 ppm2      1.609 CV     1
 ASSI { 2398}
   (  segid "    " and resid 100  and name HE% )
   (  segid "    " and resid 105  and name HD1%)
      2.000     0.500     0.500 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.10148E-01 ppm1      2.017 ppm2      1.394 CV     1
 ASSI { 2399}
   (  segid "    " and resid 100  and name HE% )
   (  segid "    " and resid 105  and name HD2%)
      3.400     1.400     1.400 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.31427E-02 ppm1      2.016 ppm2      1.276 CV     1
 ASSI { 2402}
   (  segid "    " and resid 100  and name HE% )
   (  segid "    " and resid 108  and name HD2%)
      2.100     0.600     0.600 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.52318E-02 ppm1      2.017 ppm2      0.870 CV     1
 ASSI { 2403}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 116  and name HB2 ))
      4.800     2.900     1.200 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.80566E-03 ppm1      2.016 ppm2      0.646 CV     1
 OR { 2403}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 116  and name HB3 ))
 ASSI { 2404}
   (  segid "    " and resid 100  and name HE% )
   (  segid "    " and resid 116  and name HD2%)
      2.200     0.600     0.600 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.10587E-01 ppm1      2.017 ppm2      0.503 CV     1
 ASSI { 2405}
   (  segid "    " and resid 100  and name HE% )
   (  segid "    " and resid 116  and name HD1%)
      1.800     0.400     0.400 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.16455E-01 ppm1      2.017 ppm2      0.302 CV     1
 ASSI { 2406}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      2.100     0.600     0.600 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.76449E-02 ppm1      4.222 ppm2      8.841 CV     1
 ASSI { 2408}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.100     1.200     1.200 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.11102E-02 ppm1      4.222 ppm2      9.485 CV     1
 ASSI { 2413}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HA1 ))
      3.900     1.900     1.900 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.96567E-03 ppm1      4.222 ppm2      3.721 CV     1
 OR { 2413}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HA2 ))
 ASSI { 2414}
   (( segid "    " and resid 101  and name HA  ))
   (  segid "    " and resid 77   and name HG2%)
      2.700     0.900     0.900 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.22935E-02 ppm1      4.220 ppm2      1.602 CV     1
 ASSI { 2418}
   (( segid "    " and resid 101  and name HB3 ))
   (( segid "    " and resid 102  and name HN  ))
      3.100     1.200     1.200 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.18290E-02 ppm1      4.194 ppm2      8.843 CV     1
 OR { 2418}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 102  and name HN  ))
 ASSI { 2419}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 101  and name HN  ))
      2.600     0.800     0.800 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.30102E-02 ppm1      4.195 ppm2      8.507 CV     1
 OR { 2419}
   (( segid "    " and resid 101  and name HB3 ))
   (( segid "    " and resid 101  and name HN  ))
 ASSI { 2429}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 102  and name HN  ))
      2.300     0.700     0.700 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.34192E-02 ppm1      3.714 ppm2      8.842 CV     1
 OR { 2429}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 102  and name HN  ))
 ASSI { 2430}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 103  and name HN  ))
      2.800     1.000     1.000 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.12886E-02 ppm1      3.714 ppm2      8.431 CV     1
 OR { 2430}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 103  and name HN  ))
 ASSI { 2432}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.400     0.700     0.700 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.11541E-02 ppm1      3.715 ppm2      7.626 CV     1
 OR { 2432}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 2435}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 100  and name HB3 ))
      3.100     1.200     1.200 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.21237E-02 ppm1      3.713 ppm2      2.095 CV     1
 OR { 2435}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 100  and name HB2 ))
 OR { 2435}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI { 2436}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 105  and name HB3 ))
      2.800     1.000     1.000 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.12885E-02 ppm1      3.714 ppm2      1.777 CV     1
 OR { 2436}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 105  and name HB2 ))
 OR { 2436}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 105  and name HB3 ))
 ASSI { 2438}
   (( segid "    " and resid 102  and name HA1 ))
   (  segid "    " and resid 105  and name HD2%)
      3.500     1.600     1.600 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.10165E-02 ppm1      3.716 ppm2      1.273 CV     1
 OR { 2438}
   (( segid "    " and resid 102  and name HA2 ))
   (  segid "    " and resid 105  and name HD2%)
 ASSI { 2439}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      2.600     0.900     0.900 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.38721E-02 ppm1      3.879 ppm2      8.432 CV     1
 ASSI { 2440}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      3.300     1.300     1.300 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.10944E-02 ppm1      3.880 ppm2      8.235 CV     1
 ASSI { 2441}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      3.300     1.400     1.400 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.12886E-02 ppm1      3.880 ppm2      7.612 CV     1
 ASSI { 2442}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 106  and name HA  ))
      3.800     3.800     2.200 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.23328E-02 ppm1      3.878 ppm2      4.006 CV     1
 ASSI { 2446}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 106  and name HB3 ))
      2.800     1.000     1.000 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.24487E-02 ppm1      3.881 ppm2      2.673 CV     1
 OR { 2446}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI { 2447}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 103  and name HB% )
      2.100     0.500     0.500 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.16041E-01 ppm1      3.879 ppm2      1.475 CV     1
 ASSI { 2448}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 105  and name HB3 ))
      3.300     3.300     2.700 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.18452E-02 ppm1      3.879 ppm2      1.765 CV     1
 OR { 2448}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 105  and name HB2 ))
 ASSI { 2449}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 77   and name HG2%)
      3.600     3.600     2.400 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.19750E-02 ppm1      3.880 ppm2      1.585 CV     1
 ASSI { 2451}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 101  and name HB3 ))
      3.800     1.800     1.800 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.85469E-03 ppm1      1.472 ppm2      4.196 CV     1
 OR { 2451}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 101  and name HB2 ))
 ASSI { 2452}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 104  and name HA  ))
      3.400     1.500     1.500 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.14023E-02 ppm1      1.471 ppm2      4.077 CV     1
 ASSI { 2454}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 102  and name HA2 ))
      4.300     2.300     1.700 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.75430E-03 ppm1      1.471 ppm2      3.741 CV     1
 OR { 2454}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 102  and name HA1 ))
 ASSI { 2458}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 104  and name HN  ))
      2.400     0.700     0.700 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.68896E-02 ppm1      1.472 ppm2      7.609 CV     1
 ASSI { 2459}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 103  and name HN  ))
      2.100     0.600     0.600 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.14071E-01 ppm1      1.472 ppm2      8.430 CV     1
 ASSI { 2460}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 105  and name HN  ))
      4.200     2.200     1.800 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.77539E-03 ppm1      1.472 ppm2      8.310 CV     1
 ASSI { 2461}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 102  and name HN  ))
      4.400     2.400     1.600 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.71782E-03 ppm1      1.472 ppm2      8.842 CV     1
 ASSI { 2462}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 106  and name HB3 ))
      4.300     2.300     1.700 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.62839E-03 ppm1      1.472 ppm2      2.675 CV     1
 OR { 2462}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 106  and name HB2 ))
 ASSI { 2466}
   (  segid "    " and resid 103  and name HB% )
   (  segid "    " and resid 77   and name HG2%)
      3.900     1.900     1.900 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.17861E-02 ppm1      1.472 ppm2      1.646 CV     1
 ASSI { 2469}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 100  and name HB3 ))
      4.100     2.100     1.900 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.10301E-02 ppm1      4.076 ppm2      2.045 CV     1
 OR { 2469}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 2470}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 103  and name HA  ))
      3.800     1.800     1.800 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.69517E-03 ppm1      4.072 ppm2      3.885 CV     1
 ASSI { 2471}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 107  and name HA  ))
      4.500     2.600     1.500 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.69023E-03 ppm1      4.072 ppm2      4.359 CV     1
 ASSI { 2473}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      3.300     1.300     1.300 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.13238E-02 ppm1      4.072 ppm2      8.316 CV     1
 ASSI { 2474}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      2.500     0.800     0.800 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.42325E-02 ppm1      4.072 ppm2      7.607 CV     1
 ASSI { 2475}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      3.100     1.200     1.200 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.17908E-02 ppm1      4.072 ppm2      7.371 CV     1
 ASSI { 2477}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 105  and name HN  ))
      2.300     0.600     0.600 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.66194E-02 ppm1      1.503 ppm2      8.318 CV     1
 ASSI { 2478}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 101  and name HN  ))
      2.100     0.600     0.600 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.47786E-02 ppm1      1.503 ppm2      8.512 CV     1
 ASSI { 2479}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 103  and name HN  ))
      3.500     1.500     1.500 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.15896E-02 ppm1      1.503 ppm2      8.433 CV     1
 ASSI { 2480}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 104  and name HN  ))
      2.000     0.500     0.500 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.13752E-01 ppm1      1.503 ppm2      7.611 CV     1
 ASSI { 2483}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 104  and name HA  ))
      1.900     0.400     0.400 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.18277E-01 ppm1      1.503 ppm2      4.073 CV     1
 ASSI { 2487}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 100  and name HG3 ))
      2.900     1.000     1.000 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.21875E-02 ppm1      1.503 ppm2      2.226 CV     1
 OR { 2487}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 100  and name HG2 ))
 ASSI { 2488}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 100  and name HB3 ))
      2.300     0.700     0.700 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.65798E-02 ppm1      1.503 ppm2      2.078 CV     1
 OR { 2488}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 2489}
   (  segid "    " and resid 104  and name HB% )
   (  segid "    " and resid 105  and name HD1%)
      3.200     3.200     2.800 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.62614E-02 ppm1      1.501 ppm2      1.392 CV     1
 ASSI { 2490}
   (  segid "    " and resid 104  and name HB% )
   (  segid "    " and resid 105  and name HD2%)
      4.200     2.200     1.800 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.15151E-02 ppm1      1.502 ppm2      1.315 CV     1
 ASSI { 2492}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      2.300     0.700     0.700 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.35617E-02 ppm1      4.316 ppm2      8.314 CV     1
 ASSI { 2493}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      3.200     1.300     1.300 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.91613E-03 ppm1      4.313 ppm2      8.222 CV     1
 ASSI { 2494}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      3.300     1.400     1.400 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.14672E-02 ppm1      4.315 ppm2      7.358 CV     1
 ASSI { 2496}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HG  ))
      2.700     0.900     0.900 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.22076E-02 ppm1      4.316 ppm2      1.902 CV     1
 ASSI { 2499}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 100  and name HG2 ))
      2.600     0.800     0.800 peak  2499 spectrum    1 weight  0.10000E+01 volume  0.17567E-02 ppm1      4.314 ppm2      2.213 CV     1
 OR { 2499}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 100  and name HG3 ))
 ASSI { 2503}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 105  and name HD1%)
      1.800     0.400     0.400 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.70153E-02 ppm1      4.315 ppm2      1.395 CV     1
 ASSI { 2504}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 105  and name HD2%)
      3.600     1.600     1.600 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.16693E-02 ppm1      4.316 ppm2      1.274 CV     1
 ASSI { 2511}
   (( segid "    " and resid 105  and name HB2 ))
   (  segid "    " and resid 105  and name HD1%)
      2.500     0.800     0.800 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.25873E-02 ppm1      1.774 ppm2      1.394 CV     1
 OR { 2511}
   (( segid "    " and resid 105  and name HB3 ))
   (  segid "    " and resid 105  and name HD1%)
 ASSI { 2515}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 100  and name HB3 ))
      2.100     0.600     0.600 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.95635E-02 ppm1      1.773 ppm2      2.098 CV     1
 OR { 2515}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 100  and name HB2 ))
 OR { 2515}
   (( segid "    " and resid 105  and name HB3 ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI { 2516}
   (( segid "    " and resid 105  and name HB3 ))
   (( segid "    " and resid 105  and name HG  ))
      2.200     0.600     0.600 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.37994E-02 ppm1      1.772 ppm2      1.903 CV     1
 OR { 2516}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 105  and name HG  ))
 ASSI { 2522}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 105  and name HA  ))
      2.400     0.700     0.700 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.25264E-02 ppm1      1.772 ppm2      4.315 CV     1
 OR { 2522}
   (( segid "    " and resid 105  and name HB3 ))
   (( segid "    " and resid 105  and name HA  ))
 ASSI { 2524}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 105  and name HN  ))
      2.200     0.600     0.600 peak  2524 spectrum    1 weight  0.10000E+01 volume  0.36021E-02 ppm1      1.773 ppm2      8.314 CV     1
 OR { 2524}
   (( segid "    " and resid 105  and name HB3 ))
   (( segid "    " and resid 105  and name HN  ))
 ASSI { 2527}
   (( segid "    " and resid 105  and name HB3 ))
   (( segid "    " and resid 106  and name HN  ))
      2.700     0.900     0.900 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.12553E-02 ppm1      1.773 ppm2      8.235 CV     1
 OR { 2527}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 2534}
   (( segid "    " and resid 105  and name HG  ))
   (( segid "    " and resid 100  and name HB3 ))
      3.700     1.700     1.700 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.17974E-02 ppm1      1.904 ppm2      2.107 CV     1
 OR { 2534}
   (( segid "    " and resid 105  and name HG  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 2540}
   (  segid "    " and resid 105  and name HD1%)
   (  segid "    " and resid 113  and name HE% )
      2.000     0.500     0.500 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.36509E-02 ppm1      1.393 ppm2      7.793 CV     1
 ASSI { 2541}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 113  and name HZ  ))
      3.800     1.800     1.800 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.87011E-03 ppm1      1.393 ppm2      7.582 CV     1
 ASSI { 2543}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 80   and name HZ3 ))
      2.100     0.600     0.600 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.41913E-02 ppm1      1.393 ppm2      7.130 CV     1
 OR { 2543}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 80   and name HH2 ))
 ASSI { 2544}
   (  segid "    " and resid 105  and name HD1%)
   (  segid "    " and resid 98   and name HE% )
      4.000     2.000     2.000 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.13920E-02 ppm1      1.393 ppm2      7.004 CV     1
 ASSI { 2547}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 98   and name HA  ))
      3.900     1.900     1.900 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.13762E-02 ppm1      1.392 ppm2      4.412 CV     1
 ASSI { 2548}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 102  and name HA1 ))
      3.700     1.700     1.700 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.11492E-02 ppm1      1.394 ppm2      3.696 CV     1
 ASSI { 2552}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 108  and name HG  ))
      3.100     1.200     1.200 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.10297E-02 ppm1      1.395 ppm2      2.328 CV     1
 ASSI { 2555}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 100  and name HB2 ))
      2.800     1.000     1.000 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.27368E-02 ppm1      1.394 ppm2      2.103 CV     1
 OR { 2555}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 100  and name HB3 ))
 ASSI { 2556}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 105  and name HG  ))
      2.100     0.500     0.500 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.41417E-02 ppm1      1.394 ppm2      1.885 CV     1
 ASSI { 2559}
   (  segid "    " and resid 105  and name HD1%)
   (  segid "    " and resid 108  and name HD1%)
      2.400     0.700     0.700 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.60630E-02 ppm1      1.393 ppm2      1.061 CV     1
 ASSI { 2560}
   (  segid "    " and resid 105  and name HD1%)
   (  segid "    " and resid 105  and name HD2%)
      1.700     0.400     0.500 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.17047E-01 ppm1      1.393 ppm2      1.281 CV     1
 ASSI { 2562}
   (  segid "    " and resid 105  and name HD1%)
   (  segid "    " and resid 116  and name HD2%)
      4.200     2.200     1.800 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.85946E-03 ppm1      1.394 ppm2      0.509 CV     1
 ASSI { 2570}
   (  segid "    " and resid 105  and name HD2%)
   (  segid "    " and resid 81   and name HG2%)
      4.000     2.000     2.000 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.87355E-03 ppm1      1.271 ppm2      0.384 CV     1
 ASSI { 2571}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 100  and name HG2 ))
      4.500     2.500     1.500 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.10431E-02 ppm1      1.274 ppm2      2.215 CV     1
 OR { 2571}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 100  and name HG3 ))
 ASSI { 2572}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 100  and name HB3 ))
      3.100     1.200     1.200 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.52366E-02 ppm1      1.273 ppm2      2.087 CV     1
 OR { 2572}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 2573}
   (  segid "    " and resid 105  and name HD2%)
   (  segid "    " and resid 77   and name HG1%)
      1.900     0.400     0.400 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.63879E-02 ppm1      1.273 ppm2      1.700 CV     1
 ASSI { 2574}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 105  and name HG  ))
      2.100     0.500     0.500 peak  2574 spectrum    1 weight  0.10000E+01 volume  0.44537E-02 ppm1      1.275 ppm2      1.902 CV     1
 ASSI { 2576}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 105  and name HB3 ))
      2.200     0.600     0.600 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.40461E-02 ppm1      1.273 ppm2      1.786 CV     1
 OR { 2576}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 105  and name HB2 ))
 ASSI { 2578}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 80   and name HB3 ))
      4.100     2.100     1.900 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.64795E-03 ppm1      1.268 ppm2      2.794 CV     1
 OR { 2578}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 2580}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 102  and name HA1 ))
      3.000     1.100     1.100 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.17410E-02 ppm1      1.273 ppm2      3.716 CV     1
 ASSI { 2581}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 80   and name HZ3 ))
      2.200     0.600     0.600 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.54667E-02 ppm1      1.273 ppm2      7.115 CV     1
 OR { 2581}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 80   and name HH2 ))
 ASSI { 2582}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 72   and name HZ3 ))
      2.800     1.000     1.000 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.83385E-03 ppm1      1.273 ppm2      6.140 CV     1
 ASSI { 2584}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 80   and name HE3 ))
      3.300     1.400     1.400 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.97375E-03 ppm1      1.273 ppm2      8.070 CV     1
 ASSI { 2585}
   (  segid "    " and resid 105  and name HD2%)
   (  segid "    " and resid 113  and name HE% )
      3.400     1.400     1.400 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.18575E-02 ppm1      1.274 ppm2      7.794 CV     1
 ASSI { 2586}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 72   and name HE3 ))
      2.300     0.600     0.600 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.17230E-02 ppm1      1.273 ppm2      7.259 CV     1
 ASSI { 2587}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 105  and name HN  ))
      3.800     1.800     1.800 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.10587E-02 ppm1      1.274 ppm2      8.303 CV     1
 ASSI { 2588}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB2 ))
      2.200     0.600     0.600 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.82710E-02 ppm1      3.979 ppm2      2.673 CV     1
 OR { 2588}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB3 ))
 ASSI { 2589}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 100  and name HG2 ))
      3.700     3.700     2.300 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.14230E-02 ppm1      3.978 ppm2      2.222 CV     1
 OR { 2589}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 100  and name HG3 ))
 ASSI { 2590}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 105  and name HB3 ))
      3.900     1.900     1.900 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.61389E-03 ppm1      3.979 ppm2      1.749 CV     1
 ASSI { 2592}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 129  and name HD1%)
      3.300     1.300     1.300 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.92981E-03 ppm1      3.978 ppm2      0.107 CV     1
 ASSI { 2594}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 105  and name HA  ))
      3.200     3.200     2.800 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.14048E-02 ppm1      3.979 ppm2      4.310 CV     1
 ASSI { 2595}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      3.000     1.100     1.100 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.28013E-02 ppm1      3.979 ppm2      7.360 CV     1
 ASSI { 2597}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 126  and name HZ3 ))
      3.300     1.400     1.400 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.78379E-03 ppm1      3.979 ppm2      6.803 CV     1
 ASSI { 2598}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 133  and name HE21))
      4.000     2.000     2.000 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.70574E-03 ppm1      3.978 ppm2      6.675 CV     1
 ASSI { 2599}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      2.600     0.800     0.800 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.37368E-02 ppm1      3.979 ppm2      8.232 CV     1
 ASSI { 2600}
   (( segid "    " and resid 106  and name HB3 ))
   (  segid "    " and resid 107  and name HB% )
      3.400     1.500     1.500 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.23291E-02 ppm1      2.672 ppm2      1.503 CV     1
 OR { 2600}
   (( segid "    " and resid 106  and name HB2 ))
   (  segid "    " and resid 107  and name HB% )
 ASSI { 2601}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 100  and name HG2 ))
      3.600     3.600     2.400 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.21478E-02 ppm1      2.671 ppm2      2.228 CV     1
 OR { 2601}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 100  and name HG2 ))
 OR { 2601}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 100  and name HG3 ))
 ASSI { 2602}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 100  and name HB3 ))
      4.200     2.200     1.800 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.74894E-03 ppm1      2.680 ppm2      2.063 CV     1
 OR { 2602}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 100  and name HB3 ))
 OR { 2602}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 2603}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 105  and name HB3 ))
      3.900     1.900     1.900 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.70202E-03 ppm1      2.678 ppm2      1.786 CV     1
 OR { 2603}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 105  and name HB3 ))
 ASSI { 2607}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 70   and name HD2 ))
      3.000     1.100     1.100 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.74769E-03 ppm1      2.676 ppm2      3.447 CV     1
 OR { 2607}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR { 2607}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 70   and name HD2 ))
 ASSI { 2610}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 107  and name HN  ))
      2.900     1.000     1.000 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.16864E-02 ppm1      2.671 ppm2      7.368 CV     1
 OR { 2610}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
 ASSI { 2611}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      2.500     0.800     0.800 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.58202E-02 ppm1      4.371 ppm2      7.364 CV     1
 ASSI { 2612}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 107  and name HB% )
      2.100     0.500     0.500 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.17186E-01 ppm1      4.370 ppm2      1.481 CV     1
 ASSI { 2615}
   (  segid "    " and resid 107  and name HB% )
   (( segid "    " and resid 107  and name HN  ))
      2.000     0.500     0.500 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.17423E-01 ppm1      1.480 ppm2      7.365 CV     1
 ASSI { 2616}
   (  segid "    " and resid 107  and name HB% )
   (( segid "    " and resid 106  and name HN  ))
      4.200     2.200     1.800 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.95578E-03 ppm1      1.480 ppm2      8.237 CV     1
 ASSI { 2620}
   (  segid "    " and resid 107  and name HB% )
   (( segid "    " and resid 104  and name HA  ))
      2.300     0.700     0.700 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.75999E-02 ppm1      1.480 ppm2      4.074 CV     1
 ASSI { 2621}
   (  segid "    " and resid 107  and name HB% )
   (( segid "    " and resid 108  and name HG  ))
      4.500     2.600     1.500 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.67549E-03 ppm1      1.479 ppm2      2.314 CV     1
 ASSI { 2623}
   (  segid "    " and resid 107  and name HB% )
   (( segid "    " and resid 100  and name HB3 ))
      4.200     2.300     1.800 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.64424E-03 ppm1      1.480 ppm2      2.090 CV     1
 OR { 2623}
   (  segid "    " and resid 107  and name HB% )
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 2624}
   (  segid "    " and resid 107  and name HB% )
   (  segid "    " and resid 108  and name HD1%)
      4.500     2.600     1.500 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.65926E-03 ppm1      1.478 ppm2      1.073 CV     1
 ASSI { 2628}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      2.400     2.400     3.600 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.57933E-02 ppm1      4.147 ppm2      7.848 CV     1
 ASSI { 2630}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 100  and name HG2 ))
      2.300     2.300     3.700 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.12178E-01 ppm1      1.501 ppm2      2.215 CV     1
 OR { 2630}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 100  and name HG3 ))
 OR { 2630}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 100  and name HG2 ))
 OR { 2630}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 100  and name HG3 ))
 ASSI { 2640}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HG  ))
      3.200     1.300     1.300 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.30845E-02 ppm1      4.147 ppm2      2.314 CV     1
 ASSI { 2641}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 112  and name HB3 ))
      3.700     1.700     1.700 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.61045E-03 ppm1      4.148 ppm2      2.848 CV     1
 OR { 2641}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 112  and name HB2 ))
 ASSI { 2644}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 113  and name HB2 ))
      3.800     1.800     1.800 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.68373E-03 ppm1      1.501 ppm2      3.029 CV     1
 OR { 2644}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 113  and name HB2 ))
 OR { 2644}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 113  and name HB3 ))
 ASSI { 2645}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 112  and name HB2 ))
      2.700     0.900     0.900 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.19805E-02 ppm1      1.501 ppm2      2.855 CV     1
 OR { 2645}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 112  and name HB3 ))
 OR { 2645}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 112  and name HB3 ))
 ASSI { 2654}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 108  and name HN  ))
      2.900     1.100     1.100 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.22044E-02 ppm1      1.503 ppm2      7.348 CV     1
 OR { 2654}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HN  ))
 ASSI { 2657}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 113  and name HN  ))
      3.100     1.200     1.200 peak  2657 spectrum    1 weight  0.10000E+01 volume  0.89762E-03 ppm1      1.501 ppm2      8.421 CV     1
 OR { 2657}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 113  and name HN  ))
 ASSI { 2658}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.500     0.800     0.800 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.44865E-02 ppm1      4.140 ppm2      7.366 CV     1
 ASSI { 2660}
   (( segid "    " and resid 108  and name HG  ))
   (( segid "    " and resid 105  and name HA  ))
      2.400     0.700     0.700 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.20293E-02 ppm1      2.313 ppm2      4.317 CV     1
 ASSI { 2663}
   (( segid "    " and resid 108  and name HG  ))
   (( segid "    " and resid 100  and name HG2 ))
      2.500     0.800     0.800 peak  2663 spectrum    1 weight  0.10000E+01 volume  0.36997E-02 ppm1      2.311 ppm2      2.219 CV     1
 OR { 2663}
   (( segid "    " and resid 108  and name HG  ))
   (( segid "    " and resid 100  and name HG3 ))
 ASSI { 2664}
   (( segid "    " and resid 108  and name HG  ))
   (( segid "    " and resid 108  and name HB3 ))
      2.600     0.900     0.900 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.19836E-02 ppm1      2.313 ppm2      1.492 CV     1
 OR { 2664}
   (( segid "    " and resid 108  and name HG  ))
   (( segid "    " and resid 108  and name HB2 ))
 ASSI { 2667}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 108  and name HB2 ))
      2.200     0.600     0.600 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.61508E-02 ppm1      1.063 ppm2      1.503 CV     1
 OR { 2667}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 108  and name HB3 ))
 ASSI { 2670}
   (  segid "    " and resid 108  and name HD1%)
   (  segid "    " and resid 116  and name HD1%)
      3.000     1.100     1.100 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.67476E-02 ppm1      1.063 ppm2      0.302 CV     1
 ASSI { 2672}
   (  segid "    " and resid 108  and name HD1%)
   (  segid "    " and resid 100  and name HE% )
      3.200     1.300     1.300 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.43477E-02 ppm1      1.063 ppm2      2.018 CV     1
 ASSI { 2675}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 108  and name HG  ))
      2.000     0.500     0.500 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.48803E-02 ppm1      1.064 ppm2      2.311 CV     1
 ASSI { 2676}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 113  and name HB2 ))
      2.300     0.700     0.700 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.13453E-02 ppm1      1.063 ppm2      3.036 CV     1
 OR { 2676}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 113  and name HB3 ))
 ASSI { 2678}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 105  and name HA  ))
      2.700     2.700     3.300 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.43369E-02 ppm1      1.063 ppm2      4.316 CV     1
 ASSI { 2679}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 108  and name HA  ))
      3.600     1.600     1.600 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.16818E-02 ppm1      1.063 ppm2      4.147 CV     1
 ASSI { 2682}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 113  and name HN  ))
      3.100     1.200     1.200 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.92467E-03 ppm1      1.064 ppm2      8.426 CV     1
 ASSI { 2685}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 108  and name HB3 ))
      2.000     0.500     0.500 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.10569E-01 ppm1      0.876 ppm2      1.500 CV     1
 OR { 2685}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 108  and name HB2 ))
 ASSI { 2686}
   (  segid "    " and resid 108  and name HD2%)
   (  segid "    " and resid 116  and name HD2%)
      3.300     1.300     1.300 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.15494E-02 ppm1      0.876 ppm2      0.517 CV     1
 ASSI { 2689}
   (  segid "    " and resid 108  and name HD2%)
   (  segid "    " and resid 116  and name HD1%)
      2.600     0.900     0.900 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.22559E-02 ppm1      0.875 ppm2      0.303 CV     1
 ASSI { 2691}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 108  and name HG  ))
      1.800     0.400     0.400 peak  2691 spectrum    1 weight  0.10000E+01 volume  0.12796E-01 ppm1      0.874 ppm2      2.314 CV     1
 ASSI { 2692}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 100  and name HG2 ))
      2.200     0.600     0.600 peak  2692 spectrum    1 weight  0.10000E+01 volume  0.56386E-02 ppm1      0.876 ppm2      2.223 CV     1
 OR { 2692}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 100  and name HG3 ))
 ASSI { 2694}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 112  and name HB2 ))
      3.300     1.300     1.300 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.39460E-02 ppm1      0.876 ppm2      2.854 CV     1
 OR { 2694}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 112  and name HB3 ))
 ASSI { 2695}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 108  and name HA  ))
      2.500     2.500     3.500 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.19048E-01 ppm1      0.874 ppm2      4.147 CV     1
 ASSI { 2697}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 105  and name HA  ))
      2.800     1.000     1.000 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.19210E-02 ppm1      0.876 ppm2      4.334 CV     1
 ASSI { 2699}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 108  and name HN  ))
      3.200     1.300     1.300 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.38612E-02 ppm1      0.876 ppm2      7.359 CV     1
 ASSI { 2700}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 109  and name HN  ))
      4.100     2.100     1.900 peak  2700 spectrum    1 weight  0.10000E+01 volume  0.17844E-02 ppm1      0.874 ppm2      7.852 CV     1
 ASSI { 2701}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 113  and name HN  ))
      3.700     1.700     1.700 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.81168E-03 ppm1      0.876 ppm2      8.416 CV     1
 ASSI { 2703}
   (( segid "    " and resid 109  and name HA1 ))
   (( segid "    " and resid 110  and name HN  ))
      2.500     0.800     0.800 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.42621E-02 ppm1      3.952 ppm2      8.108 CV     1
 OR { 2703}
   (( segid "    " and resid 109  and name HA2 ))
   (( segid "    " and resid 110  and name HN  ))
 ASSI { 2705}
   (( segid "    " and resid 109  and name HA1 ))
   (( segid "    " and resid 109  and name HN  ))
      2.200     0.600     0.600 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.42116E-02 ppm1      3.952 ppm2      7.851 CV     1
 OR { 2705}
   (( segid "    " and resid 109  and name HA2 ))
   (( segid "    " and resid 109  and name HN  ))
 ASSI { 2706}
   (( segid "    " and resid 109  and name HA1 ))
   (( segid "    " and resid 126  and name HZ2 ))
      3.900     1.900     1.900 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.63668E-03 ppm1      3.950 ppm2      7.357 CV     1
 OR { 2706}
   (( segid "    " and resid 109  and name HA2 ))
   (( segid "    " and resid 126  and name HZ2 ))
 ASSI { 2708}
   (( segid "    " and resid 109  and name HA2 ))
   (( segid "    " and resid 108  and name HA  ))
      2.300     2.300     3.700 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.16692E-01 ppm1      3.953 ppm2      4.140 CV     1
 OR { 2708}
   (( segid "    " and resid 109  and name HA1 ))
   (( segid "    " and resid 108  and name HA  ))
 ASSI { 2710}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HD2 ))
      2.800     1.000     1.000 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.36826E-02 ppm1      2.180 ppm2      1.243 CV     1
 OR { 2710}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HD3 ))
 ASSI { 2711}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB2 ))
      2.500     0.800     0.800 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.39889E-02 ppm1      2.179 ppm2      0.967 CV     1
 OR { 2711}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB3 ))
 ASSI { 2714}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 113  and name HB3 ))
      2.600     0.900     0.900 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.19884E-02 ppm1      2.177 ppm2      3.021 CV     1
 OR { 2714}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 113  and name HB2 ))
 ASSI { 2716}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 109  and name HA1 ))
      3.900     1.900     1.900 peak  2716 spectrum    1 weight  0.10000E+01 volume  0.10659E-02 ppm1      2.184 ppm2      3.976 CV     1
 OR { 2716}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 109  and name HA2 ))
 ASSI { 2717}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 126  and name HD1 ))
      3.900     1.900     1.900 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.72116E-03 ppm1      2.180 ppm2      7.120 CV     1
 OR { 2717}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 126  and name HH2 ))
 ASSI { 2718}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 126  and name HZ3 ))
      3.500     1.500     1.500 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.81658E-03 ppm1      2.180 ppm2      6.802 CV     1
 ASSI { 2720}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
      2.600     0.800     0.800 peak  2720 spectrum    1 weight  0.10000E+01 volume  0.35837E-02 ppm1      2.179 ppm2      8.106 CV     1
 ASSI { 2722}
   (( segid "    " and resid 110  and name HB3 ))
   (( segid "    " and resid 111  and name HN  ))
      3.100     1.200     1.200 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.14713E-02 ppm1      0.968 ppm2      8.434 CV     1
 OR { 2722}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 111  and name HN  ))
 ASSI { 2724}
   (( segid "    " and resid 110  and name HB3 ))
   (( segid "    " and resid 110  and name HN  ))
      2.500     0.800     0.800 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.31067E-02 ppm1      0.964 ppm2      8.108 CV     1
 OR { 2724}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HN  ))
 ASSI { 2725}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 126  and name HD1 ))
      3.900     1.900     1.900 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.63931E-03 ppm1      0.964 ppm2      7.102 CV     1
 OR { 2725}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 126  and name HH2 ))
 OR { 2725}
   (( segid "    " and resid 110  and name HB3 ))
   (( segid "    " and resid 126  and name HH2 ))
 ASSI { 2728}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD2 ))
      2.200     0.600     0.600 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.10086E-01 ppm1      0.965 ppm2      1.242 CV     1
 OR { 2728}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD3 ))
 OR { 2728}
   (( segid "    " and resid 110  and name HB3 ))
   (( segid "    " and resid 110  and name HD3 ))
 ASSI { 2733}
   (( segid "    " and resid 110  and name HB3 ))
   (( segid "    " and resid 110  and name HG2 ))
      2.800     1.000     1.000 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.20513E-02 ppm1      0.965 ppm2     -0.279 CV     1
 OR { 2733}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HG2 ))
 OR { 2733}
   (( segid "    " and resid 110  and name HB3 ))
   (( segid "    " and resid 110  and name HG3 ))
 ASSI { 2737}
   (( segid "    " and resid 110  and name HG2 ))
   (( segid "    " and resid 110  and name HD3 ))
      2.600     0.800     0.800 peak  2737 spectrum    1 weight  0.10000E+01 volume  0.32273E-02 ppm1     -0.286 ppm2      1.236 CV     1
 OR { 2737}
   (( segid "    " and resid 110  and name HG2 ))
   (( segid "    " and resid 110  and name HD2 ))
 OR { 2737}
   (( segid "    " and resid 110  and name HG3 ))
   (( segid "    " and resid 110  and name HD3 ))
 ASSI { 2739}
   (( segid "    " and resid 110  and name HG2 ))
   (  segid "    " and resid 114  and name HD1%)
      3.600     1.600     1.600 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.14656E-02 ppm1     -0.287 ppm2      0.781 CV     1
 OR { 2739}
   (( segid "    " and resid 110  and name HG3 ))
   (  segid "    " and resid 114  and name HD1%)
 ASSI { 2748}
   (( segid "    " and resid 110  and name HG3 ))
   (( segid "    " and resid 110  and name HA  ))
      3.200     1.300     1.300 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.22985E-02 ppm1     -0.285 ppm2      2.180 CV     1
 OR { 2748}
   (( segid "    " and resid 110  and name HG2 ))
   (( segid "    " and resid 110  and name HA  ))
 ASSI { 2752}
   (( segid "    " and resid 110  and name HG2 ))
   (( segid "    " and resid 123  and name HB2 ))
      4.500     2.500     1.500 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.10777E-02 ppm1     -0.285 ppm2      2.661 CV     1
 OR { 2752}
   (( segid "    " and resid 110  and name HG3 ))
   (( segid "    " and resid 123  and name HB2 ))
 OR { 2752}
   (( segid "    " and resid 110  and name HG2 ))
   (( segid "    " and resid 123  and name HB3 ))
 ASSI { 2762}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 132  and name HG  ))
      2.900     2.900     3.100 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.17452E-01 ppm1      1.219 ppm2      1.315 CV     1
 OR { 2762}
   (( segid "    " and resid 131  and name HG13))
   (( segid "    " and resid 132  and name HG  ))
 ASSI { 2764}
   (( segid "    " and resid 110  and name HD2 ))
   (( segid "    " and resid 123  and name HB2 ))
      4.300     2.300     1.700 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.14346E-02 ppm1      1.225 ppm2      2.661 CV     1
 OR { 2764}
   (( segid "    " and resid 110  and name HD3 ))
   (( segid "    " and resid 123  and name HB2 ))
 OR { 2764}
   (( segid "    " and resid 110  and name HD2 ))
   (( segid "    " and resid 123  and name HB3 ))
 ASSI { 2766}
   (( segid "    " and resid 110  and name HD2 ))
   (( segid "    " and resid 110  and name HE3 ))
      2.700     0.900     0.900 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.18919E-02 ppm1      1.226 ppm2      2.526 CV     1
 OR { 2766}
   (( segid "    " and resid 110  and name HD2 ))
   (( segid "    " and resid 110  and name HE2 ))
 OR { 2766}
   (( segid "    " and resid 110  and name HD3 ))
   (( segid "    " and resid 110  and name HE3 ))
 OR { 2766}
   (( segid "    " and resid 110  and name HD3 ))
   (( segid "    " and resid 110  and name HE2 ))
 ASSI { 2769}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 131  and name HN  ))
      3.400     1.400     1.400 peak  2769 spectrum    1 weight  0.10000E+01 volume  0.18680E-02 ppm1      1.233 ppm2      7.678 CV     1
 OR { 2769}
   (( segid "    " and resid 131  and name HG13))
   (( segid "    " and resid 131  and name HN  ))
 ASSI { 2770}
   (( segid "    " and resid 131  and name HG12))
   (  segid "    " and resid 53   and name HE% )
      3.000     1.100     1.100 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.62272E-03 ppm1      1.227 ppm2      7.103 CV     1
 OR { 2770}
   (( segid "    " and resid 131  and name HG13))
   (  segid "    " and resid 53   and name HE% )
 ASSI { 2771}
   (( segid "    " and resid 110  and name HD3 ))
   (( segid "    " and resid 126  and name HE1 ))
      3.900     1.900     1.900 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.68172E-03 ppm1      1.226 ppm2      9.812 CV     1
 OR { 2771}
   (( segid "    " and resid 110  and name HD2 ))
   (( segid "    " and resid 126  and name HE1 ))
 ASSI { 2773}
   (( segid "    " and resid 131  and name HG13))
   (( segid "    " and resid 130  and name HB3 ))
      3.400     1.500     1.500 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.18964E-02 ppm1      1.219 ppm2      1.742 CV     1
 OR { 2773}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 130  and name HB3 ))
 OR { 2773}
   (( segid "    " and resid 131  and name HG13))
   (( segid "    " and resid 130  and name HB2 ))
 ASSI { 2775}
   (( segid "    " and resid 110  and name HE3 ))
   (  segid "    " and resid 114  and name HD1%)
      2.400     0.700     0.700 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.20241E-02 ppm1      2.525 ppm2      0.786 CV     1
 OR { 2775}
   (( segid "    " and resid 110  and name HE2 ))
   (  segid "    " and resid 114  and name HD1%)
 ASSI { 2779}
   (( segid "    " and resid 110  and name HE3 ))
   (( segid "    " and resid 110  and name HD2 ))
      2.500     0.800     0.800 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.29075E-02 ppm1      2.524 ppm2      1.232 CV     1
 OR { 2779}
   (( segid "    " and resid 110  and name HE2 ))
   (( segid "    " and resid 110  and name HD2 ))
 OR { 2779}
   (( segid "    " and resid 110  and name HE3 ))
   (( segid "    " and resid 110  and name HD3 ))
 ASSI { 2783}
   (( segid "    " and resid 110  and name HE2 ))
   (( segid "    " and resid 110  and name HG3 ))
      2.800     1.000     1.000 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.21958E-02 ppm1      2.524 ppm2     -0.283 CV     1
 OR { 2783}
   (( segid "    " and resid 110  and name HE2 ))
   (( segid "    " and resid 110  and name HG2 ))
 OR { 2783}
   (( segid "    " and resid 110  and name HE3 ))
   (( segid "    " and resid 110  and name HG3 ))
 ASSI { 2785}
   (( segid "    " and resid 110  and name HE3 ))
   (( segid "    " and resid 123  and name HB2 ))
      3.100     3.100     2.900 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.24796E-01 ppm1      2.527 ppm2      2.663 CV     1
 OR { 2785}
   (( segid "    " and resid 110  and name HE3 ))
   (( segid "    " and resid 123  and name HB3 ))
 OR { 2785}
   (( segid "    " and resid 110  and name HE2 ))
   (( segid "    " and resid 123  and name HB2 ))
 ASSI { 2788}
   (( segid "    " and resid 110  and name HE3 ))
   (( segid "    " and resid 126  and name HD1 ))
      4.200     2.200     1.800 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.10112E-02 ppm1      2.526 ppm2      7.097 CV     1
 OR { 2788}
   (( segid "    " and resid 110  and name HE2 ))
   (( segid "    " and resid 126  and name HD1 ))
 ASSI { 2790}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HG3 ))
      2.600     0.900     0.900 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.45369E-02 ppm1      3.730 ppm2      2.210 CV     1
 OR { 2790}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HG2 ))
 ASSI { 2791}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB2 ))
      2.100     0.500     0.500 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.11268E-01 ppm1      3.730 ppm2      1.955 CV     1
 OR { 2791}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB3 ))
 ASSI { 2793}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 114  and name HB2 ))
      3.900     1.900     1.900 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.91754E-03 ppm1      3.729 ppm2      1.487 CV     1
 OR { 2793}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 114  and name HB3 ))
 ASSI { 2794}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 114  and name HD1%)
      4.200     2.200     1.800 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.35653E-02 ppm1      3.730 ppm2      0.782 CV     1
 ASSI { 2797}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      2.300     0.700     0.700 peak  2797 spectrum    1 weight  0.10000E+01 volume  0.59237E-02 ppm1      3.730 ppm2      8.436 CV     1
 ASSI { 2802}
   (( segid "    " and resid 111  and name HB3 ))
   (( segid "    " and resid 112  and name HN  ))
      2.700     0.900     0.900 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.30205E-02 ppm1      1.939 ppm2      7.898 CV     1
 OR { 2802}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 112  and name HN  ))
 ASSI { 2805}
   (( segid "    " and resid 111  and name HB3 ))
   (( segid "    " and resid 111  and name HG2 ))
      2.300     0.600     0.600 peak  2805 spectrum    1 weight  0.10000E+01 volume  0.10003E-01 ppm1      1.975 ppm2      2.209 CV     1
 OR { 2805}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HG3 ))
 OR { 2805}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HG2 ))
 OR { 2805}
   (( segid "    " and resid 111  and name HB3 ))
   (( segid "    " and resid 111  and name HG3 ))
 ASSI { 2817}
   (( segid "    " and resid 111  and name HG3 ))
   (( segid "    " and resid 111  and name HN  ))
      3.100     1.200     1.200 peak  2817 spectrum    1 weight  0.10000E+01 volume  0.18642E-02 ppm1      2.219 ppm2      8.432 CV     1
 OR { 2817}
   (( segid "    " and resid 111  and name HG2 ))
   (( segid "    " and resid 111  and name HN  ))
 ASSI { 2819}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 86   and name HA  ))
      3.600     1.600     1.600 peak  2819 spectrum    1 weight  0.10000E+01 volume  0.37325E-02 ppm1      4.144 ppm2      4.439 CV     1
 ASSI { 2825}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HB2 ))
      2.400     0.700     0.700 peak  2825 spectrum    1 weight  0.10000E+01 volume  0.51616E-02 ppm1      4.148 ppm2      2.847 CV     1
 OR { 2825}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HB3 ))
 ASSI { 2826}
   (( segid "    " and resid 112  and name HB3 ))
   (( segid "    " and resid 115  and name HG2 ))
      3.600     1.600     1.600 peak  2826 spectrum    1 weight  0.10000E+01 volume  0.80759E-03 ppm1      2.837 ppm2      2.229 CV     1
 OR { 2826}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 115  and name HG2 ))
 OR { 2826}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 115  and name HG3 ))
 OR { 2826}
   (( segid "    " and resid 112  and name HB3 ))
   (( segid "    " and resid 115  and name HG3 ))
 ASSI { 2831}
   (( segid "    " and resid 112  and name HB2 ))
   (  segid "    " and resid 108  and name HD1%)
      3.800     1.800     1.800 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.10784E-02 ppm1      2.847 ppm2      1.062 CV     1
 OR { 2831}
   (( segid "    " and resid 112  and name HB3 ))
   (  segid "    " and resid 108  and name HD1%)
 ASSI { 2835}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 113  and name HN  ))
      2.900     1.000     1.000 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.18763E-02 ppm1      2.844 ppm2      8.424 CV     1
 OR { 2835}
   (( segid "    " and resid 112  and name HB3 ))
   (( segid "    " and resid 113  and name HN  ))
 ASSI { 2838}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      2.300     0.600     0.600 peak  2838 spectrum    1 weight  0.10000E+01 volume  0.39528E-02 ppm1      3.965 ppm2      8.425 CV     1
 ASSI { 2839}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 116  and name HN  ))
      3.500     1.600     1.600 peak  2839 spectrum    1 weight  0.10000E+01 volume  0.11383E-02 ppm1      3.966 ppm2      7.684 CV     1
 ASSI { 2840}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 113  and name HD% )
      2.600     0.800     0.800 peak  2840 spectrum    1 weight  0.10000E+01 volume  0.24238E-02 ppm1      3.970 ppm2      7.276 CV     1
 ASSI { 2841}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HB2 ))
      2.000     0.500     0.500 peak  2841 spectrum    1 weight  0.10000E+01 volume  0.67666E-02 ppm1      3.968 ppm2      3.025 CV     1
 OR { 2841}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HB3 ))
 ASSI { 2843}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 110  and name HA  ))
      3.300     3.300     2.700 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.13999E-02 ppm1      3.970 ppm2      2.206 CV     1
 ASSI { 2846}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 108  and name HB2 ))
      2.400     2.400     3.600 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.70809E-02 ppm1      3.968 ppm2      1.479 CV     1
 OR { 2846}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 108  and name HB3 ))
 ASSI { 2847}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 105  and name HD1%)
      4.300     2.300     1.700 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.86867E-03 ppm1      3.968 ppm2      1.418 CV     1
 ASSI { 2848}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 97   and name HD2 ))
      5.000     3.200     1.000 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.75379E-03 ppm1      3.968 ppm2      1.322 CV     1
 OR { 2848}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 97   and name HD3 ))
 ASSI { 2849}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 108  and name HD1%)
      2.700     0.900     0.900 peak  2849 spectrum    1 weight  0.10000E+01 volume  0.52868E-02 ppm1      3.966 ppm2      1.062 CV     1
 ASSI { 2852}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 116  and name HD1%)
      2.500     0.800     0.800 peak  2852 spectrum    1 weight  0.10000E+01 volume  0.43705E-02 ppm1      3.967 ppm2      0.301 CV     1
 ASSI { 2855}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 113  and name HN  ))
      2.200     0.600     0.600 peak  2855 spectrum    1 weight  0.10000E+01 volume  0.33195E-02 ppm1      3.027 ppm2      8.430 CV     1
 OR { 2855}
   (( segid "    " and resid 113  and name HB3 ))
   (( segid "    " and resid 113  and name HN  ))
 ASSI { 2857}
   (( segid "    " and resid 113  and name HB2 ))
   (  segid "    " and resid 113  and name HD% )
      2.400     0.700     0.700 peak  2857 spectrum    1 weight  0.10000E+01 volume  0.25730E-02 ppm1      3.028 ppm2      7.283 CV     1
 OR { 2857}
   (( segid "    " and resid 113  and name HB3 ))
   (  segid "    " and resid 113  and name HD% )
 ASSI { 2867}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HN  ))
      2.800     1.000     1.000 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.21330E-02 ppm1      1.487 ppm2      8.486 CV     1
 OR { 2867}
   (( segid "    " and resid 114  and name HB3 ))
   (( segid "    " and resid 114  and name HN  ))
 ASSI { 2869}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 115  and name HN  ))
      3.200     1.300     1.300 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.85125E-03 ppm1      1.487 ppm2      7.042 CV     1
 OR { 2869}
   (( segid "    " and resid 114  and name HB3 ))
   (( segid "    " and resid 115  and name HN  ))
 ASSI { 2875}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HG  ))
      2.400     0.700     0.700 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.28809E-02 ppm1      1.486 ppm2      1.922 CV     1
 OR { 2875}
   (( segid "    " and resid 114  and name HB3 ))
   (( segid "    " and resid 114  and name HG  ))
 ASSI { 2879}
   (( segid "    " and resid 114  and name HB3 ))
   (  segid "    " and resid 114  and name HD1%)
      2.400     0.700     0.700 peak  2879 spectrum    1 weight  0.10000E+01 volume  0.46399E-02 ppm1      1.486 ppm2      0.797 CV     1
 OR { 2879}
   (( segid "    " and resid 114  and name HB2 ))
   (  segid "    " and resid 114  and name HD1%)
 ASSI { 2888}
   (( segid "    " and resid 114  and name HG  ))
   (( segid "    " and resid 116  and name HB3 ))
      4.500     2.500     1.500 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.72387E-03 ppm1      1.928 ppm2      0.667 CV     1
 OR { 2888}
   (( segid "    " and resid 114  and name HG  ))
   (( segid "    " and resid 116  and name HB2 ))
 ASSI { 2890}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 117  and name HN  ))
      2.900     1.100     1.100 peak  2890 spectrum    1 weight  0.10000E+01 volume  0.11315E-02 ppm1      3.948 ppm2      7.171 CV     1
 ASSI { 2892}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HN  ))
      2.500     0.800     0.800 peak  2892 spectrum    1 weight  0.10000E+01 volume  0.26121E-02 ppm1      3.949 ppm2      8.484 CV     1
 ASSI { 2893}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 128  and name HA  ))
      3.800     1.800     1.800 peak  2893 spectrum    1 weight  0.10000E+01 volume  0.19288E-02 ppm1      3.951 ppm2      3.819 CV     1
 ASSI { 2894}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 122  and name HA2 ))
      2.400     0.700     0.700 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.12999E-02 ppm1      3.951 ppm2      3.750 CV     1
 OR { 2894}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 122  and name HA1 ))
 ASSI { 2899}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB3 ))
      1.500     0.300     0.700 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.40770E-01 ppm1      3.950 ppm2      1.482 CV     1
 OR { 2899}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB2 ))
 ASSI { 2902}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 110  and name HD2 ))
      3.200     1.300     1.300 peak  2902 spectrum    1 weight  0.10000E+01 volume  0.94833E-03 ppm1      0.776 ppm2      1.239 CV     1
 OR { 2902}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 110  and name HD3 ))
 ASSI { 2904}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 123  and name HB2 ))
      2.600     0.800     0.800 peak  2904 spectrum    1 weight  0.10000E+01 volume  0.27752E-02 ppm1      0.777 ppm2      2.663 CV     1
 OR { 2904}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 123  and name HB3 ))
 ASSI { 2906}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 110  and name HA  ))
      4.100     2.100     1.900 peak  2906 spectrum    1 weight  0.10000E+01 volume  0.64736E-03 ppm1      0.776 ppm2      2.201 CV     1
 ASSI { 2908}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 114  and name HG  ))
      2.100     0.600     0.600 peak  2908 spectrum    1 weight  0.10000E+01 volume  0.63289E-02 ppm1      0.773 ppm2      1.929 CV     1
 ASSI { 2909}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 123  and name HA  ))
      3.200     1.300     1.300 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.80767E-03 ppm1      0.777 ppm2      4.383 CV     1
 ASSI { 2910}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 114  and name HA  ))
      3.700     1.700     1.700 peak  2910 spectrum    1 weight  0.10000E+01 volume  0.15025E-02 ppm1      0.776 ppm2      3.950 CV     1
 ASSI { 2912}
   (  segid "    " and resid 114  and name HD1%)
   (  segid "    " and resid 113  and name HD% )
      4.500     2.500     1.500 peak  2912 spectrum    1 weight  0.10000E+01 volume  0.75628E-03 ppm1      0.776 ppm2      7.283 CV     1
 ASSI { 2914}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 114  and name HN  ))
      3.800     1.800     1.800 peak  2914 spectrum    1 weight  0.10000E+01 volume  0.20944E-02 ppm1      0.775 ppm2      8.480 CV     1
 ASSI { 2915}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 110  and name HD2 ))
      2.900     1.100     1.100 peak  2915 spectrum    1 weight  0.10000E+01 volume  0.17776E-02 ppm1      0.843 ppm2      1.252 CV     1
 ASSI { 2918}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 110  and name HG2 ))
      3.200     1.300     1.300 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.10981E-02 ppm1      0.843 ppm2     -0.276 CV     1
 ASSI { 2925}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 115  and name HN  ))
      2.500     0.800     0.800 peak  2925 spectrum    1 weight  0.10000E+01 volume  0.51711E-02 ppm1      4.126 ppm2      7.041 CV     1
 ASSI { 2926}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 116  and name HN  ))
      3.000     1.100     1.100 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.16983E-02 ppm1      4.125 ppm2      7.682 CV     1
 ASSI { 2928}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 115  and name HB2 ))
      2.200     0.600     0.600 peak  2928 spectrum    1 weight  0.10000E+01 volume  0.11787E-01 ppm1      4.123 ppm2      2.054 CV     1
 OR { 2928}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 115  and name HB3 ))
 ASSI { 2929}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 115  and name HG3 ))
      2.500     0.800     0.800 peak  2929 spectrum    1 weight  0.10000E+01 volume  0.61408E-02 ppm1      4.130 ppm2      2.240 CV     1
 OR { 2929}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 115  and name HG2 ))
 ASSI { 2930}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 110  and name HE2 ))
      2.100     2.100     3.900 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.21293E-02 ppm1      4.125 ppm2      2.504 CV     1
 OR { 2930}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 110  and name HE3 ))
 ASSI { 2941}
   (( segid "    " and resid 115  and name HG2 ))
   (( segid "    " and resid 115  and name HN  ))
      3.000     1.100     1.100 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.23514E-02 ppm1      2.249 ppm2      7.042 CV     1
 OR { 2941}
   (( segid "    " and resid 115  and name HG3 ))
   (( segid "    " and resid 115  and name HN  ))
 ASSI { 2948}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HG  ))
      2.600     0.800     0.800 peak  2948 spectrum    1 weight  0.10000E+01 volume  0.41431E-02 ppm1      3.791 ppm2      1.599 CV     1
 ASSI { 2949}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 97   and name HD2 ))
      2.300     0.700     0.700 peak  2949 spectrum    1 weight  0.10000E+01 volume  0.40615E-02 ppm1      3.789 ppm2      1.319 CV     1
 OR { 2949}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 97   and name HD3 ))
 ASSI { 2950}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 97   and name HG3 ))
      3.000     1.200     1.200 peak  2950 spectrum    1 weight  0.10000E+01 volume  0.40401E-02 ppm1      3.791 ppm2      1.657 CV     1
 OR { 2950}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 97   and name HG2 ))
 ASSI { 2951}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB2 ))
      2.200     0.600     0.600 peak  2951 spectrum    1 weight  0.10000E+01 volume  0.57131E-02 ppm1      3.791 ppm2      0.643 CV     1
 OR { 2951}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB3 ))
 ASSI { 2953}
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 116  and name HD1%)
      3.800     1.800     1.800 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.16969E-02 ppm1      3.791 ppm2      0.299 CV     1
 ASSI { 2955}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 115  and name HB2 ))
      3.300     1.300     1.300 peak  2955 spectrum    1 weight  0.10000E+01 volume  0.10639E-02 ppm1      3.790 ppm2      2.073 CV     1
 OR { 2955}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 115  and name HB3 ))
 ASSI { 2958}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 117  and name HN  ))
      3.100     1.200     1.200 peak  2958 spectrum    1 weight  0.10000E+01 volume  0.16602E-02 ppm1      3.789 ppm2      7.166 CV     1
 ASSI { 2959}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HN  ))
      2.500     0.800     0.800 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.33341E-02 ppm1      3.791 ppm2      7.685 CV     1
 ASSI { 2960}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HG  ))
      2.400     0.700     0.700 peak  2960 spectrum    1 weight  0.10000E+01 volume  0.36306E-02 ppm1      0.642 ppm2      1.593 CV     1
 OR { 2960}
   (( segid "    " and resid 116  and name HB3 ))
   (( segid "    " and resid 116  and name HG  ))
 ASSI { 2961}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 97   and name HD2 ))
      2.100     0.600     0.600 peak  2961 spectrum    1 weight  0.10000E+01 volume  0.13748E-01 ppm1      0.642 ppm2      1.316 CV     1
 OR { 2961}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 97   and name HD3 ))
 OR { 2961}
   (( segid "    " and resid 116  and name HB3 ))
   (( segid "    " and resid 97   and name HD2 ))
 ASSI { 2973}
   (( segid "    " and resid 116  and name HB3 ))
   (( segid "    " and resid 117  and name HN  ))
      3.800     1.800     1.800 peak  2973 spectrum    1 weight  0.10000E+01 volume  0.74346E-03 ppm1      0.647 ppm2      7.165 CV     1
 OR { 2973}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 117  and name HN  ))
 ASSI { 2974}
   (( segid "    " and resid 116  and name HB3 ))
   (( segid "    " and resid 98   and name HZ  ))
      4.500     2.600     1.500 peak  2974 spectrum    1 weight  0.10000E+01 volume  0.68836E-03 ppm1      0.643 ppm2      6.639 CV     1
 OR { 2974}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 98   and name HZ  ))
 ASSI { 2975}
   (( segid "    " and resid 116  and name HB3 ))
   (( segid "    " and resid 116  and name HN  ))
      2.500     0.800     0.800 peak  2975 spectrum    1 weight  0.10000E+01 volume  0.20470E-02 ppm1      0.644 ppm2      7.684 CV     1
 OR { 2975}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HN  ))
 ASSI { 2977}
   (( segid "    " and resid 116  and name HG  ))
   (( segid "    " and resid 116  and name HN  ))
      3.100     1.200     1.200 peak  2977 spectrum    1 weight  0.10000E+01 volume  0.35617E-02 ppm1      1.593 ppm2      7.683 CV     1
 ASSI { 2984}
   (( segid "    " and resid 116  and name HG  ))
   (  segid "    " and resid 108  and name HD2%)
      4.100     2.100     1.900 peak  2984 spectrum    1 weight  0.10000E+01 volume  0.12418E-02 ppm1      1.588 ppm2      0.913 CV     1
 ASSI { 2986}
   (  segid "    " and resid 116  and name HD1%)
   (( segid "    " and resid 97   and name HD3 ))
      2.300     0.600     0.600 peak  2986 spectrum    1 weight  0.10000E+01 volume  0.52291E-02 ppm1      0.300 ppm2      1.315 CV     1
 OR { 2986}
   (  segid "    " and resid 116  and name HD1%)
   (( segid "    " and resid 97   and name HD2 ))
 ASSI { 2988}
   (  segid "    " and resid 116  and name HD1%)
   (  segid "    " and resid 105  and name HD1%)
      2.000     2.000     4.000 peak  2988 spectrum    1 weight  0.10000E+01 volume  0.31360E-02 ppm1      0.300 ppm2      1.411 CV     1
 ASSI { 2989}
   (  segid "    " and resid 116  and name HD1%)
   (( segid "    " and resid 116  and name HG  ))
      2.200     0.600     0.600 peak  2989 spectrum    1 weight  0.10000E+01 volume  0.47507E-02 ppm1      0.298 ppm2      1.588 CV     1
 ASSI { 2990}
   (  segid "    " and resid 116  and name HD1%)
   (( segid "    " and resid 116  and name HB2 ))
      2.300     0.600     0.600 peak  2990 spectrum    1 weight  0.10000E+01 volume  0.46480E-02 ppm1      0.301 ppm2      0.642 CV     1
 OR { 2990}
   (  segid "    " and resid 116  and name HD1%)
   (( segid "    " and resid 116  and name HB3 ))
 ASSI { 2991}
   (  segid "    " and resid 116  and name HD1%)
   (  segid "    " and resid 116  and name HD2%)
      2.000     0.500     0.500 peak  2991 spectrum    1 weight  0.10000E+01 volume  0.11089E-01 ppm1      0.300 ppm2      0.506 CV     1
 ASSI { 2997}
   (  segid "    " and resid 116  and name HD1%)
   (  segid "    " and resid 98   and name HE% )
      3.600     1.600     1.600 peak  2997 spectrum    1 weight  0.10000E+01 volume  0.11089E-02 ppm1      0.301 ppm2      7.000 CV     1
 ASSI { 2998}
   (  segid "    " and resid 116  and name HD1%)
   (( segid "    " and resid 116  and name HN  ))
      4.400     2.400     1.600 peak  2998 spectrum    1 weight  0.10000E+01 volume  0.11366E-02 ppm1      0.298 ppm2      7.683 CV     1
 ASSI { 2999}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 116  and name HN  ))
      3.200     1.300     1.300 peak  2999 spectrum    1 weight  0.10000E+01 volume  0.27639E-02 ppm1      0.504 ppm2      7.683 CV     1
 ASSI { 3001}
   (  segid "    " and resid 116  and name HD2%)
   (  segid "    " and resid 98   and name HE% )
      3.300     1.300     1.300 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.71056E-03 ppm1      0.503 ppm2      7.029 CV     1
 ASSI { 3002}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 113  and name HA  ))
      2.400     0.700     0.700 peak  3002 spectrum    1 weight  0.10000E+01 volume  0.23700E-02 ppm1      0.504 ppm2      3.979 CV     1
 ASSI { 3004}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 98   and name HA  ))
      3.800     1.800     1.800 peak  3004 spectrum    1 weight  0.10000E+01 volume  0.60706E-03 ppm1      0.505 ppm2      4.405 CV     1
 ASSI { 3006}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 97   and name HD2 ))
      3.000     1.100     1.100 peak  3006 spectrum    1 weight  0.10000E+01 volume  0.48437E-02 ppm1      0.504 ppm2      1.316 CV     1
 ASSI { 3007}
   (  segid "    " and resid 116  and name HD2%)
   (  segid "    " and resid 117  and name HB% )
      2.800     1.000     1.000 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.11460E-02 ppm1      0.504 ppm2      1.178 CV     1
 ASSI { 3008}
   (  segid "    " and resid 116  and name HD2%)
   (  segid "    " and resid 108  and name HD1%)
      3.700     1.700     1.700 peak  3008 spectrum    1 weight  0.10000E+01 volume  0.25046E-02 ppm1      0.504 ppm2      1.050 CV     1
 ASSI { 3011}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 116  and name HG  ))
      1.700     0.400     0.500 peak  3011 spectrum    1 weight  0.10000E+01 volume  0.16063E-01 ppm1      0.504 ppm2      1.595 CV     1
 ASSI { 3014}
   (  segid "    " and resid 116  and name HD2%)
   (  segid "    " and resid 81   and name HG2%)
      2.900     1.100     1.100 peak  3014 spectrum    1 weight  0.10000E+01 volume  0.41260E-02 ppm1      0.504 ppm2      0.381 CV     1
 OR { 3014}
   (  segid "    " and resid 116  and name HD2%)
   (  segid "    " and resid 81   and name HG1%)
 ASSI { 3015}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 116  and name HB3 ))
      2.200     0.600     0.600 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.75918E-02 ppm1      0.504 ppm2      0.640 CV     1
 OR { 3015}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 116  and name HB2 ))
 ASSI { 3021}
   (( segid "    " and resid 117  and name HA  ))
   (  segid "    " and resid 93   and name HG1%)
      3.800     1.800     1.800 peak  3021 spectrum    1 weight  0.10000E+01 volume  0.70598E-03 ppm1      4.891 ppm2      0.281 CV     1
 ASSI { 3025}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HN  ))
      2.800     0.900     0.900 peak  3025 spectrum    1 weight  0.10000E+01 volume  0.23874E-02 ppm1      4.891 ppm2      7.166 CV     1
 ASSI { 3026}
   (  segid "    " and resid 117  and name HB% )
   (  segid "    " and resid 113  and name HD% )
      3.500     1.600     1.600 peak  3026 spectrum    1 weight  0.10000E+01 volume  0.85350E-03 ppm1      1.173 ppm2      7.287 CV     1
 ASSI { 3028}
   (  segid "    " and resid 117  and name HB% )
   (  segid "    " and resid 98   and name HE% )
      2.600     0.800     0.800 peak  3028 spectrum    1 weight  0.10000E+01 volume  0.22690E-02 ppm1      1.172 ppm2      6.991 CV     1
 ASSI { 3029}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 98   and name HZ  ))
      2.000     0.500     0.500 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.58139E-02 ppm1      1.172 ppm2      6.637 CV     1
 ASSI { 3030}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 121  and name HN  ))
      4.400     2.400     1.600 peak  3030 spectrum    1 weight  0.10000E+01 volume  0.86052E-03 ppm1      1.172 ppm2      8.177 CV     1
 ASSI { 3031}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 122  and name HN  ))
      2.300     0.700     0.700 peak  3031 spectrum    1 weight  0.10000E+01 volume  0.44721E-02 ppm1      1.172 ppm2      7.941 CV     1
 ASSI { 3032}
   (  segid "    " and resid 117  and name HB% )
   (  segid "    " and resid 113  and name HE% )
      3.400     1.500     1.500 peak  3032 spectrum    1 weight  0.10000E+01 volume  0.10349E-02 ppm1      1.172 ppm2      7.800 CV     1
 ASSI { 3033}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 116  and name HN  ))
      3.700     1.800     1.800 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.14174E-02 ppm1      1.172 ppm2      7.674 CV     1
 ASSI { 3035}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 117  and name HA  ))
      1.900     0.500     0.500 peak  3035 spectrum    1 weight  0.10000E+01 volume  0.12844E-01 ppm1      1.172 ppm2      4.890 CV     1
 ASSI { 3038}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 114  and name HA  ))
      3.300     1.300     1.300 peak  3038 spectrum    1 weight  0.10000E+01 volume  0.18105E-02 ppm1      1.171 ppm2      3.950 CV     1
 ASSI { 3039}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 116  and name HA  ))
      1.800     1.800     4.200 peak  3039 spectrum    1 weight  0.10000E+01 volume  0.58969E-02 ppm1      1.172 ppm2      3.832 CV     1
 ASSI { 3040}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 118  and name HD2 ))
      1.900     0.500     0.500 peak  3040 spectrum    1 weight  0.10000E+01 volume  0.79252E-02 ppm1      1.172 ppm2      3.156 CV     1
 OR { 3040}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 118  and name HD3 ))
 ASSI { 3041}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 122  and name HA1 ))
      2.100     0.500     0.500 peak  3041 spectrum    1 weight  0.10000E+01 volume  0.60248E-02 ppm1      1.173 ppm2      3.750 CV     1
 OR { 3041}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 122  and name HA2 ))
 ASSI { 3044}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 118  and name HB2 ))
      3.900     1.900     1.900 peak  3044 spectrum    1 weight  0.10000E+01 volume  0.15409E-02 ppm1      1.172 ppm2      1.808 CV     1
 OR { 3044}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 118  and name HB3 ))
 ASSI { 3045}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 90   and name HB2 ))
      3.100     1.200     1.200 peak  3045 spectrum    1 weight  0.10000E+01 volume  0.14297E-02 ppm1      1.173 ppm2      1.357 CV     1
 OR { 3045}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 90   and name HB3 ))
 ASSI { 3047}
   (  segid "    " and resid 117  and name HB% )
   (  segid "    " and resid 121  and name HG2%)
      3.400     1.400     1.400 peak  3047 spectrum    1 weight  0.10000E+01 volume  0.54047E-02 ppm1      1.171 ppm2      1.071 CV     1
 ASSI { 3048}
   (  segid "    " and resid 117  and name HB% )
   (  segid "    " and resid 121  and name HG1%)
      2.200     0.600     0.600 peak  3048 spectrum    1 weight  0.10000E+01 volume  0.10652E-01 ppm1      1.172 ppm2      0.825 CV     1
 ASSI { 3049}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 116  and name HB3 ))
      3.600     1.600     1.600 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.10929E-02 ppm1      1.172 ppm2      0.675 CV     1
 ASSI { 3051}
   (  segid "    " and resid 117  and name HB% )
   (  segid "    " and resid 93   and name HG1%)
      3.100     1.200     1.200 peak  3051 spectrum    1 weight  0.10000E+01 volume  0.22371E-02 ppm1      1.171 ppm2      0.285 CV     1
 ASSI { 3052}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 120  and name HN  ))
      2.100     2.100     3.900 peak  3052 spectrum    1 weight  0.10000E+01 volume  0.13953E-01 ppm1      4.292 ppm2      8.629 CV     1
 ASSI { 3053}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 121  and name HN  ))
      3.800     1.800     1.800 peak  3053 spectrum    1 weight  0.10000E+01 volume  0.73473E-03 ppm1      4.293 ppm2      8.181 CV     1
 ASSI { 3056}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 120  and name HB2 ))
      4.100     2.200     1.900 peak  3056 spectrum    1 weight  0.10000E+01 volume  0.81517E-03 ppm1      4.293 ppm2      3.440 CV     1
 OR { 3056}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 120  and name HB3 ))
 ASSI { 3057}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB2 ))
      2.400     0.700     0.700 peak  3057 spectrum    1 weight  0.10000E+01 volume  0.71327E-02 ppm1      4.292 ppm2      2.384 CV     1
 OR { 3057}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB3 ))
 ASSI { 3060}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  3060 spectrum    1 weight  0.10000E+01 volume  0.43472E-02 ppm1      2.521 ppm2      4.292 CV     1
 OR { 3060}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 3061}
   (( segid "    " and resid 119  and name HB3 ))
   (  segid "    " and resid 120  and name HD% )
      4.300     2.300     1.700 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.70416E-03 ppm1      2.384 ppm2      7.285 CV     1
 OR { 3061}
   (( segid "    " and resid 119  and name HB2 ))
   (  segid "    " and resid 120  and name HD% )
 ASSI { 3064}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 119  and name HN  ))
      2.800     1.000     1.000 peak  3064 spectrum    1 weight  0.10000E+01 volume  0.31639E-02 ppm1      2.383 ppm2      8.606 CV     1
 OR { 3064}
   (( segid "    " and resid 119  and name HB3 ))
   (( segid "    " and resid 119  and name HN  ))
 ASSI { 3069}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 120  and name HB2 ))
      2.400     0.700     0.700 peak  3069 spectrum    1 weight  0.10000E+01 volume  0.58456E-02 ppm1      4.385 ppm2      3.426 CV     1
 OR { 3069}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 120  and name HB3 ))
 ASSI { 3070}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 123  and name HB3 ))
      2.800     1.000     1.000 peak  3070 spectrum    1 weight  0.10000E+01 volume  0.20037E-02 ppm1      4.383 ppm2      2.697 CV     1
 OR { 3070}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 123  and name HB2 ))
 ASSI { 3071}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 121  and name HN  ))
      3.200     1.300     1.300 peak  3071 spectrum    1 weight  0.10000E+01 volume  0.13091E-02 ppm1      4.385 ppm2      8.177 CV     1
 ASSI { 3072}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 123  and name HN  ))
      3.200     1.300     1.300 peak  3072 spectrum    1 weight  0.10000E+01 volume  0.10726E-02 ppm1      4.386 ppm2      8.025 CV     1
 ASSI { 3073}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 122  and name HN  ))
      3.700     1.700     1.700 peak  3073 spectrum    1 weight  0.10000E+01 volume  0.81691E-03 ppm1      4.391 ppm2      7.925 CV     1
 ASSI { 3078}
   (( segid "    " and resid 120  and name HB3 ))
   (( segid "    " and resid 121  and name HN  ))
      3.000     1.100     1.100 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.13621E-02 ppm1      3.409 ppm2      8.180 CV     1
 OR { 3078}
   (( segid "    " and resid 120  and name HB2 ))
   (( segid "    " and resid 121  and name HN  ))
 ASSI { 3085}
   (( segid "    " and resid 120  and name HB3 ))
   (  segid "    " and resid 121  and name HG2%)
      3.700     1.700     1.700 peak  3085 spectrum    1 weight  0.10000E+01 volume  0.63093E-03 ppm1      3.402 ppm2      1.089 CV     1
 OR { 3085}
   (( segid "    " and resid 120  and name HB2 ))
   (  segid "    " and resid 121  and name HG2%)
 ASSI { 3086}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HN  ))
      2.300     0.700     0.700 peak  3086 spectrum    1 weight  0.10000E+01 volume  0.31864E-02 ppm1      3.628 ppm2      8.180 CV     1
 ASSI { 3088}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 124  and name HN  ))
      3.400     1.500     1.500 peak  3088 spectrum    1 weight  0.10000E+01 volume  0.11212E-02 ppm1      3.629 ppm2      7.449 CV     1
 ASSI { 3091}
   (( segid "    " and resid 121  and name HA  ))
   (  segid "    " and resid 121  and name HG1%)
      2.100     0.500     0.500 peak  3091 spectrum    1 weight  0.10000E+01 volume  0.72579E-02 ppm1      3.628 ppm2      0.825 CV     1
 ASSI { 3092}
   (( segid "    " and resid 121  and name HA  ))
   (  segid "    " and resid 90   and name HD1%)
      2.900     1.100     1.100 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.12400E-02 ppm1      3.628 ppm2      0.716 CV     1
 ASSI { 3098}
   (( segid "    " and resid 121  and name HA  ))
   (  segid "    " and resid 124  and name HD1%)
      2.700     0.900     0.900 peak  3098 spectrum    1 weight  0.10000E+01 volume  0.33869E-02 ppm1      3.628 ppm2      0.572 CV     1
 ASSI { 3099}
   (( segid "    " and resid 121  and name HB  ))
   (  segid "    " and resid 121  and name HG1%)
      2.000     0.500     0.500 peak  3099 spectrum    1 weight  0.10000E+01 volume  0.61467E-02 ppm1      2.005 ppm2      0.823 CV     1
 ASSI { 3100}
   (( segid "    " and resid 121  and name HB  ))
   (  segid "    " and resid 121  and name HG2%)
      2.100     0.500     0.500 peak  3100 spectrum    1 weight  0.10000E+01 volume  0.56283E-02 ppm1      2.005 ppm2      1.092 CV     1
 ASSI { 3102}
   (( segid "    " and resid 121  and name HB  ))
   (  segid "    " and resid 117  and name HB% )
      2.800     1.000     1.000 peak  3102 spectrum    1 weight  0.10000E+01 volume  0.27986E-02 ppm1      2.003 ppm2      1.162 CV     1
 ASSI { 3103}
   (( segid "    " and resid 121  and name HB  ))
   (( segid "    " and resid 118  and name HB2 ))
      2.500     0.800     0.800 peak  3103 spectrum    1 weight  0.10000E+01 volume  0.24077E-02 ppm1      2.003 ppm2      1.827 CV     1
 OR { 3103}
   (( segid "    " and resid 121  and name HB  ))
   (( segid "    " and resid 118  and name HB3 ))
 ASSI { 3105}
   (( segid "    " and resid 121  and name HB  ))
   (( segid "    " and resid 118  and name HD2 ))
      2.300     0.700     0.700 peak  3105 spectrum    1 weight  0.10000E+01 volume  0.20083E-02 ppm1      2.005 ppm2      3.156 CV     1
 OR { 3105}
   (( segid "    " and resid 121  and name HB  ))
   (( segid "    " and resid 118  and name HD3 ))
 ASSI { 3107}
   (( segid "    " and resid 121  and name HB  ))
   (( segid "    " and resid 121  and name HA  ))
      2.600     0.800     0.800 peak  3107 spectrum    1 weight  0.10000E+01 volume  0.19192E-02 ppm1      2.006 ppm2      3.628 CV     1
 ASSI { 3109}
   (( segid "    " and resid 121  and name HB  ))
   (( segid "    " and resid 114  and name HA  ))
      4.700     2.700     1.300 peak  3109 spectrum    1 weight  0.10000E+01 volume  0.72715E-03 ppm1      2.001 ppm2      3.965 CV     1
 ASSI { 3110}
   (( segid "    " and resid 121  and name HB  ))
   (( segid "    " and resid 121  and name HN  ))
      2.100     0.600     0.600 peak  3110 spectrum    1 weight  0.10000E+01 volume  0.43423E-02 ppm1      2.005 ppm2      8.180 CV     1
 ASSI { 3112}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 121  and name HN  ))
      3.400     1.500     1.500 peak  3112 spectrum    1 weight  0.10000E+01 volume  0.22500E-02 ppm1      0.820 ppm2      8.179 CV     1
 ASSI { 3115}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 117  and name HA  ))
      4.600     2.600     1.400 peak  3115 spectrum    1 weight  0.10000E+01 volume  0.70083E-03 ppm1      0.820 ppm2      4.890 CV     1
 ASSI { 3118}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 85   and name HA  ))
      4.300     2.300     1.700 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.87239E-03 ppm1      0.820 ppm2      3.392 CV     1
 ASSI { 3119}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 118  and name HD2 ))
      2.700     0.900     0.900 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.35214E-02 ppm1      0.820 ppm2      3.163 CV     1
 OR { 3119}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 118  and name HD3 ))
 ASSI { 3125}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 90   and name HB2 ))
      3.000     1.100     1.100 peak  3125 spectrum    1 weight  0.10000E+01 volume  0.25037E-02 ppm1      0.819 ppm2      1.336 CV     1
 OR { 3125}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 90   and name HB3 ))
 ASSI { 3127}
   (  segid "    " and resid 121  and name HG1%)
   (  segid "    " and resid 90   and name HD1%)
      1.800     0.400     0.400 peak  3127 spectrum    1 weight  0.10000E+01 volume  0.14005E-01 ppm1      0.821 ppm2      0.719 CV     1
 ASSI { 3130}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 119  and name HN  ))
      4.000     2.000     2.000 peak  3130 spectrum    1 weight  0.10000E+01 volume  0.17900E-02 ppm1      1.091 ppm2      8.562 CV     1
 ASSI { 3131}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 121  and name HN  ))
      2.000     0.500     0.500 peak  3131 spectrum    1 weight  0.10000E+01 volume  0.10300E-01 ppm1      1.092 ppm2      8.180 CV     1
 ASSI { 3132}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 122  and name HN  ))
      3.500     1.600     1.600 peak  3132 spectrum    1 weight  0.10000E+01 volume  0.21469E-02 ppm1      1.089 ppm2      7.945 CV     1
 ASSI { 3134}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 120  and name HA  ))
      3.100     1.200     1.200 peak  3134 spectrum    1 weight  0.10000E+01 volume  0.18130E-02 ppm1      1.091 ppm2      4.397 CV     1
 ASSI { 3136}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 121  and name HA  ))
      1.900     0.400     0.400 peak  3136 spectrum    1 weight  0.10000E+01 volume  0.96976E-02 ppm1      1.091 ppm2      3.629 CV     1
 ASSI { 3137}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 120  and name HB3 ))
      2.800     1.000     1.000 peak  3137 spectrum    1 weight  0.10000E+01 volume  0.17031E-02 ppm1      1.091 ppm2      3.421 CV     1
 ASSI { 3138}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 118  and name HD2 ))
      3.300     1.300     1.300 peak  3138 spectrum    1 weight  0.10000E+01 volume  0.23320E-02 ppm1      1.091 ppm2      3.157 CV     1
 OR { 3138}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 118  and name HD3 ))
 ASSI { 3141}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 118  and name HB2 ))
      2.100     0.500     0.500 peak  3141 spectrum    1 weight  0.10000E+01 volume  0.67628E-02 ppm1      1.092 ppm2      1.808 CV     1
 OR { 3141}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 118  and name HB3 ))
 ASSI { 3143}
   (  segid "    " and resid 121  and name HG2%)
   (  segid "    " and resid 121  and name HG1%)
      1.900     0.400     0.400 peak  3143 spectrum    1 weight  0.10000E+01 volume  0.19484E-01 ppm1      1.091 ppm2      0.823 CV     1
 ASSI { 3144}
   (  segid "    " and resid 121  and name HG2%)
   (  segid "    " and resid 90   and name HD1%)
      2.100     0.600     0.600 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.34306E-02 ppm1      1.092 ppm2      0.715 CV     1
 ASSI { 3147}
   (  segid "    " and resid 121  and name HG2%)
   (  segid "    " and resid 93   and name HG1%)
      4.500     2.600     1.500 peak  3147 spectrum    1 weight  0.10000E+01 volume  0.69495E-03 ppm1      1.089 ppm2      0.280 CV     1
 ASSI { 3153}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 108  and name HG  ))
      4.400     2.500     1.600 peak  3153 spectrum    1 weight  0.10000E+01 volume  0.95949E-03 ppm1      3.750 ppm2      2.349 CV     1
 OR { 3153}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 108  and name HG  ))
 ASSI { 3164}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 122  and name HN  ))
      2.100     0.600     0.600 peak  3164 spectrum    1 weight  0.10000E+01 volume  0.45556E-02 ppm1      3.748 ppm2      7.940 CV     1
 OR { 3164}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 122  and name HN  ))
 ASSI { 3166}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 123  and name HN  ))
      2.700     0.900     0.900 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.15986E-02 ppm1      3.746 ppm2      8.020 CV     1
 OR { 3166}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 123  and name HN  ))
 ASSI { 3173}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 126  and name HB3 ))
      2.000     0.500     0.500 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.37994E-02 ppm1      4.391 ppm2      3.256 CV     1
 OR { 3173}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 126  and name HB2 ))
 ASSI { 3175}
   (( segid "    " and resid 123  and name HB3 ))
   (( segid "    " and resid 124  and name HN  ))
      2.700     0.900     0.900 peak  3175 spectrum    1 weight  0.10000E+01 volume  0.28595E-02 ppm1      2.689 ppm2      7.453 CV     1
 OR { 3175}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 124  and name HN  ))
 ASSI { 3177}
   (( segid "    " and resid 123  and name HB3 ))
   (( segid "    " and resid 123  and name HN  ))
      2.400     0.700     0.700 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.49860E-02 ppm1      2.690 ppm2      8.027 CV     1
 OR { 3177}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 123  and name HN  ))
 ASSI { 3183}
   (( segid "    " and resid 123  and name HB3 ))
   (  segid "    " and resid 45   and name HE% )
      2.900     1.100     1.100 peak  3183 spectrum    1 weight  0.10000E+01 volume  0.20844E-02 ppm1      2.690 ppm2      2.088 CV     1
 OR { 3183}
   (( segid "    " and resid 123  and name HB2 ))
   (  segid "    " and resid 45   and name HE% )
 ASSI { 3185}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 124  and name HN  ))
      2.900     1.100     1.100 peak  3185 spectrum    1 weight  0.10000E+01 volume  0.14057E-02 ppm1      4.391 ppm2      7.454 CV     1
 ASSI { 3186}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 126  and name HN  ))
      3.300     1.300     1.300 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.15623E-02 ppm1      4.396 ppm2      8.911 CV     1
 ASSI { 3188}
   (( segid "    " and resid 124  and name HA  ))
   (  segid "    " and resid 124  and name HG2%)
      2.200     0.600     0.600 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.62549E-02 ppm1      3.922 ppm2      0.606 CV     1
 ASSI { 3189}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB  ))
      2.300     0.700     0.700 peak  3189 spectrum    1 weight  0.10000E+01 volume  0.36577E-02 ppm1      3.922 ppm2      1.835 CV     1
 ASSI { 3190}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 50   and name HD3 ))
      3.300     3.300     2.700 peak  3190 spectrum    1 weight  0.10000E+01 volume  0.26862E-02 ppm1      3.922 ppm2      1.505 CV     1
 OR { 3190}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 50   and name HD2 ))
 ASSI { 3191}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 123  and name HB3 ))
      3.800     1.800     1.800 peak  3191 spectrum    1 weight  0.10000E+01 volume  0.63375E-03 ppm1      3.921 ppm2      2.705 CV     1
 OR { 3191}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 123  and name HB2 ))
 ASSI { 3192}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 127  and name HG2 ))
      4.400     2.400     1.600 peak  3192 spectrum    1 weight  0.10000E+01 volume  0.12860E-02 ppm1      3.922 ppm2      2.527 CV     1
 OR { 3192}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 127  and name HG3 ))
 ASSI { 3194}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 127  and name HB2 ))
      2.700     0.900     0.900 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.25690E-02 ppm1      3.924 ppm2      2.301 CV     1
 OR { 3194}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 127  and name HB3 ))
 ASSI { 3198}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 125  and name HN  ))
      2.900     1.100     1.100 peak  3198 spectrum    1 weight  0.10000E+01 volume  0.13303E-02 ppm1      3.922 ppm2      7.654 CV     1
 ASSI { 3199}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HN  ))
      2.300     0.600     0.600 peak  3199 spectrum    1 weight  0.10000E+01 volume  0.39276E-02 ppm1      3.922 ppm2      7.451 CV     1
 ASSI { 3202}
   (( segid "    " and resid 124  and name HB  ))
   (( segid "    " and resid 121  and name HA  ))
      2.300     0.700     0.700 peak  3202 spectrum    1 weight  0.10000E+01 volume  0.12235E-02 ppm1      1.839 ppm2      3.628 CV     1
 ASSI { 3204}
   (( segid "    " and resid 124  and name HB  ))
   (  segid "    " and resid 124  and name HG2%)
      2.100     0.500     0.500 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.66134E-02 ppm1      1.836 ppm2      0.602 CV     1
 OR { 3204}
   (( segid "    " and resid 124  and name HB  ))
   (  segid "    " and resid 124  and name HD1%)
 ASSI { 3206}
   (( segid "    " and resid 124  and name HB  ))
   (( segid "    " and resid 124  and name HN  ))
      2.000     0.500     0.500 peak  3206 spectrum    1 weight  0.10000E+01 volume  0.56326E-02 ppm1      1.835 ppm2      7.452 CV     1
 ASSI { 3209}
   (( segid "    " and resid 124  and name HG12))
   (( segid "    " and resid 124  and name HN  ))
      2.900     1.000     1.000 peak  3209 spectrum    1 weight  0.10000E+01 volume  0.20442E-02 ppm1      0.913 ppm2      7.451 CV     1
 OR { 3209}
   (( segid "    " and resid 124  and name HG13))
   (( segid "    " and resid 124  and name HN  ))
 ASSI { 3214}
   (( segid "    " and resid 124  and name HG12))
   (( segid "    " and resid 124  and name HA  ))
      2.400     0.700     0.700 peak  3214 spectrum    1 weight  0.10000E+01 volume  0.27403E-02 ppm1      0.916 ppm2      3.923 CV     1
 OR { 3214}
   (( segid "    " and resid 124  and name HG13))
   (( segid "    " and resid 124  and name HA  ))
 ASSI { 3218}
   (( segid "    " and resid 124  and name HG12))
   (( segid "    " and resid 123  and name HB3 ))
      3.900     1.900     1.900 peak  3218 spectrum    1 weight  0.10000E+01 volume  0.63744E-03 ppm1      0.905 ppm2      2.703 CV     1
 OR { 3218}
   (( segid "    " and resid 124  and name HG13))
   (( segid "    " and resid 123  and name HB3 ))
 OR { 3218}
   (( segid "    " and resid 124  and name HG13))
   (( segid "    " and resid 123  and name HB2 ))
 ASSI { 3221}
   (( segid "    " and resid 124  and name HG12))
   (( segid "    " and resid 124  and name HB  ))
      2.500     0.800     0.800 peak  3221 spectrum    1 weight  0.10000E+01 volume  0.23913E-02 ppm1      0.913 ppm2      1.830 CV     1
 OR { 3221}
   (( segid "    " and resid 124  and name HG13))
   (( segid "    " and resid 124  and name HB  ))
 ASSI { 3222}
   (( segid "    " and resid 124  and name HG13))
   (( segid "    " and resid 50   and name HD3 ))
      2.100     2.100     3.900 peak  3222 spectrum    1 weight  0.10000E+01 volume  0.18709E-01 ppm1      0.915 ppm2      1.505 CV     1
 OR { 3222}
   (( segid "    " and resid 124  and name HG13))
   (( segid "    " and resid 50   and name HD2 ))
 OR { 3222}
   (( segid "    " and resid 124  and name HG12))
   (( segid "    " and resid 50   and name HD3 ))
 OR { 3222}
   (( segid "    " and resid 124  and name HG12))
   (( segid "    " and resid 50   and name HD2 ))
 ASSI { 3224}
   (( segid "    " and resid 124  and name HG13))
   (  segid "    " and resid 124  and name HD1%)
      2.100     0.500     0.500 peak  3224 spectrum    1 weight  0.10000E+01 volume  0.80588E-02 ppm1      0.914 ppm2      0.579 CV     1
 OR { 3224}
   (( segid "    " and resid 124  and name HG12))
   (  segid "    " and resid 124  and name HD1%)
 OR { 3224}
   (( segid "    " and resid 124  and name HG12))
   (  segid "    " and resid 124  and name HG2%)
 ASSI { 3228}
   (( segid "    " and resid 124  and name HG13))
   (( segid "    " and resid 49   and name HG  ))
      2.900     1.000     1.000 peak  3228 spectrum    1 weight  0.10000E+01 volume  0.21526E-02 ppm1      0.913 ppm2      1.659 CV     1
 OR { 3228}
   (( segid "    " and resid 124  and name HG12))
   (( segid "    " and resid 49   and name HG  ))
 ASSI { 3231}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 50   and name HD2 ))
      2.800     2.800     3.200 peak  3231 spectrum    1 weight  0.10000E+01 volume  0.43236E-02 ppm1      0.613 ppm2      1.502 CV     1
 OR { 3231}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 50   and name HD3 ))
 ASSI { 3233}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 85   and name HB  ))
      3.900     1.900     1.900 peak  3233 spectrum    1 weight  0.10000E+01 volume  0.88298E-03 ppm1      0.614 ppm2      2.333 CV     1
 ASSI { 3234}
   (  segid "    " and resid 124  and name HG2%)
   (  segid "    " and resid 84   and name HB% )
      2.800     1.000     1.000 peak  3234 spectrum    1 weight  0.10000E+01 volume  0.15249E-02 ppm1      0.614 ppm2      1.185 CV     1
 ASSI { 3236}
   (  segid "    " and resid 124  and name HG2%)
   (  segid "    " and resid 90   and name HD1%)
      2.000     2.000     4.000 peak  3236 spectrum    1 weight  0.10000E+01 volume  0.74493E-02 ppm1      0.613 ppm2      0.735 CV     1
 ASSI { 3239}
   (  segid "    " and resid 124  and name HG2%)
   (  segid "    " and resid 125  and name HD2%)
      3.100     1.200     1.200 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.42688E-02 ppm1      0.613 ppm2      0.326 CV     1
 ASSI { 3241}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 121  and name HA  ))
      3.500     1.500     1.500 peak  3241 spectrum    1 weight  0.10000E+01 volume  0.13995E-02 ppm1      0.613 ppm2      3.630 CV     1
 ASSI { 3242}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 85   and name HA  ))
      3.300     1.400     1.400 peak  3242 spectrum    1 weight  0.10000E+01 volume  0.11006E-02 ppm1      0.613 ppm2      3.416 CV     1
 ASSI { 3243}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 125  and name HA  ))
      2.700     0.900     0.900 peak  3243 spectrum    1 weight  0.10000E+01 volume  0.22890E-02 ppm1      0.614 ppm2      4.344 CV     1
 ASSI { 3245}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 125  and name HN  ))
      2.200     0.600     0.600 peak  3245 spectrum    1 weight  0.10000E+01 volume  0.31189E-02 ppm1      0.614 ppm2      7.652 CV     1
 ASSI { 3246}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 124  and name HN  ))
      3.300     1.300     1.300 peak  3246 spectrum    1 weight  0.10000E+01 volume  0.34907E-02 ppm1      0.614 ppm2      7.450 CV     1
 ASSI { 3247}
   (  segid "    " and resid 124  and name HG2%)
   (  segid "    " and resid 88   and name HE% )
      2.400     0.700     0.700 peak  3247 spectrum    1 weight  0.10000E+01 volume  0.43556E-02 ppm1      0.614 ppm2      7.279 CV     1
 OR { 3247}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 88   and name HZ  ))
 ASSI { 3248}
   (  segid "    " and resid 124  and name HG2%)
   (  segid "    " and resid 88   and name HD% )
      2.200     0.600     0.600 peak  3248 spectrum    1 weight  0.10000E+01 volume  0.73024E-02 ppm1      0.614 ppm2      7.161 CV     1
 ASSI { 3249}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 124  and name HN  ))
      3.600     1.600     1.600 peak  3249 spectrum    1 weight  0.10000E+01 volume  0.19899E-02 ppm1      0.562 ppm2      7.449 CV     1
 ASSI { 3251}
   (  segid "    " and resid 124  and name HD1%)
   (  segid "    " and resid 88   and name HD% )
      2.800     1.000     1.000 peak  3251 spectrum    1 weight  0.10000E+01 volume  0.21611E-02 ppm1      0.563 ppm2      7.162 CV     1
 ASSI { 3253}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 125  and name HN  ))
      2.600     2.600     3.400 peak  3253 spectrum    1 weight  0.10000E+01 volume  0.59638E-03 ppm1      0.559 ppm2      7.652 CV     1
 ASSI { 3254}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.400     1.400 peak  3254 spectrum    1 weight  0.10000E+01 volume  0.10892E-02 ppm1      0.567 ppm2      4.386 CV     1
 ASSI { 3255}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 124  and name HA  ))
      3.300     1.400     1.400 peak  3255 spectrum    1 weight  0.10000E+01 volume  0.32284E-02 ppm1      0.562 ppm2      3.923 CV     1
 ASSI { 3257}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 120  and name HB3 ))
      2.700     0.900     0.900 peak  3257 spectrum    1 weight  0.10000E+01 volume  0.14564E-02 ppm1      0.563 ppm2      3.410 CV     1
 ASSI { 3258}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 123  and name HB3 ))
      2.500     2.500     3.500 peak  3258 spectrum    1 weight  0.10000E+01 volume  0.76536E-03 ppm1      0.563 ppm2      2.679 CV     1
 OR { 3258}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 123  and name HB2 ))
 ASSI { 3259}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 88   and name HB3 ))
      3.000     1.100     1.100 peak  3259 spectrum    1 weight  0.10000E+01 volume  0.11445E-02 ppm1      0.563 ppm2      2.555 CV     1
 OR { 3259}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 88   and name HB2 ))
 ASSI { 3260}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 45   and name HB3 ))
      3.200     1.300     1.300 peak  3260 spectrum    1 weight  0.10000E+01 volume  0.11335E-02 ppm1      0.564 ppm2      2.108 CV     1
 OR { 3260}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 3261}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 124  and name HB  ))
      2.200     0.600     0.600 peak  3261 spectrum    1 weight  0.10000E+01 volume  0.64215E-02 ppm1      0.562 ppm2      1.834 CV     1
 ASSI { 3263}
   (  segid "    " and resid 124  and name HD1%)
   (  segid "    " and resid 121  and name HG2%)
      3.300     1.400     1.400 peak  3263 spectrum    1 weight  0.10000E+01 volume  0.91092E-03 ppm1      0.563 ppm2      1.091 CV     1
 ASSI { 3265}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 124  and name HG13))
      1.800     0.400     0.400 peak  3265 spectrum    1 weight  0.10000E+01 volume  0.20351E-01 ppm1      0.563 ppm2      0.900 CV     1
 OR { 3265}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 124  and name HG12))
 ASSI { 3267}
   (( segid "    " and resid 125  and name HB3 ))
   (( segid "    " and resid 126  and name HN  ))
      3.100     1.200     1.200 peak  3267 spectrum    1 weight  0.10000E+01 volume  0.75238E-03 ppm1      2.148 ppm2      8.904 CV     1
 OR { 3267}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 126  and name HN  ))
 ASSI { 3274}
   (( segid "    " and resid 125  and name HB3 ))
   (( segid "    " and resid 125  and name HN  ))
      2.400     0.700     0.700 peak  3274 spectrum    1 weight  0.10000E+01 volume  0.15767E-02 ppm1      2.148 ppm2      7.659 CV     1
 OR { 3274}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 125  and name HN  ))
 ASSI { 3280}
   (( segid "    " and resid 125  and name HB3 ))
   (  segid "    " and resid 45   and name HE% )
      2.700     2.700     3.300 peak  3280 spectrum    1 weight  0.10000E+01 volume  0.11305E-01 ppm1      2.148 ppm2      2.069 CV     1
 OR { 3280}
   (( segid "    " and resid 125  and name HB2 ))
   (  segid "    " and resid 45   and name HE% )
 ASSI { 3282}
   (( segid "    " and resid 125  and name HB3 ))
   (( segid "    " and resid 125  and name HG  ))
      2.700     0.900     0.900 peak  3282 spectrum    1 weight  0.10000E+01 volume  0.13835E-02 ppm1      2.148 ppm2      1.803 CV     1
 OR { 3282}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 125  and name HG  ))
 ASSI { 3288}
   (( segid "    " and resid 125  and name HB3 ))
   (  segid "    " and resid 85   and name HG2%)
      4.200     2.200     1.800 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.77433E-03 ppm1      2.148 ppm2      0.998 CV     1
 OR { 3288}
   (( segid "    " and resid 125  and name HB2 ))
   (  segid "    " and resid 85   and name HG2%)
 ASSI { 3291}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 90   and name HD1%)
      3.300     1.400     1.400 peak  3291 spectrum    1 weight  0.10000E+01 volume  0.10859E-02 ppm1      1.805 ppm2      0.721 CV     1
 ASSI { 3296}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 125  and name HA  ))
      3.000     1.100     1.100 peak  3296 spectrum    1 weight  0.10000E+01 volume  0.10001E-02 ppm1      1.809 ppm2      4.347 CV     1
 ASSI { 3299}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 125  and name HN  ))
      3.500     1.500     1.500 peak  3299 spectrum    1 weight  0.10000E+01 volume  0.16263E-02 ppm1      0.553 ppm2      7.624 CV     1
 ASSI { 3300}
   (  segid "    " and resid 125  and name HD1%)
   (  segid "    " and resid 113  and name HE% )
      2.900     1.100     1.100 peak  3300 spectrum    1 weight  0.10000E+01 volume  0.15355E-02 ppm1      0.554 ppm2      7.790 CV     1
 ASSI { 3301}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 113  and name HZ  ))
      2.900     1.000     1.000 peak  3301 spectrum    1 weight  0.10000E+01 volume  0.17426E-02 ppm1      0.554 ppm2      7.591 CV     1
 ASSI { 3303}
   (  segid "    " and resid 125  and name HD1%)
   (  segid "    " and resid 98   and name HE% )
      2.900     1.000     1.000 peak  3303 spectrum    1 weight  0.10000E+01 volume  0.10817E-02 ppm1      0.554 ppm2      6.992 CV     1
 ASSI { 3304}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 98   and name HZ  ))
      2.500     0.800     0.800 peak  3304 spectrum    1 weight  0.10000E+01 volume  0.23592E-02 ppm1      0.554 ppm2      6.637 CV     1
 ASSI { 3306}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 125  and name HA  ))
      3.800     1.800     1.800 peak  3306 spectrum    1 weight  0.10000E+01 volume  0.17074E-02 ppm1      0.554 ppm2      4.340 CV     1
 ASSI { 3308}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 125  and name HG  ))
      2.100     0.500     0.500 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.61456E-02 ppm1      0.553 ppm2      1.804 CV     1
 ASSI { 3309}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 85   and name HB  ))
      2.700     0.900     0.900 peak  3309 spectrum    1 weight  0.10000E+01 volume  0.37734E-02 ppm1      0.554 ppm2      2.352 CV     1
 ASSI { 3310}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 125  and name HB3 ))
      2.300     0.600     0.600 peak  3310 spectrum    1 weight  0.10000E+01 volume  0.36804E-02 ppm1      0.554 ppm2      2.147 CV     1
 OR { 3310}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 125  and name HB2 ))
 ASSI { 3311}
   (  segid "    " and resid 125  and name HD1%)
   (  segid "    " and resid 84   and name HB% )
      2.900     1.100     1.100 peak  3311 spectrum    1 weight  0.10000E+01 volume  0.35295E-02 ppm1      0.555 ppm2      1.176 CV     1
 ASSI { 3312}
   (  segid "    " and resid 125  and name HD1%)
   (  segid "    " and resid 85   and name HG2%)
      2.900     1.000     1.000 peak  3312 spectrum    1 weight  0.10000E+01 volume  0.67535E-03 ppm1      0.554 ppm2      1.059 CV     1
 ASSI { 3313}
   (  segid "    " and resid 125  and name HD1%)
   (  segid "    " and resid 121  and name HG1%)
      2.200     0.600     0.600 peak  3313 spectrum    1 weight  0.10000E+01 volume  0.61329E-02 ppm1      0.554 ppm2      0.822 CV     1
 ASSI { 3315}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 85   and name HB  ))
      2.900     1.100     1.100 peak  3315 spectrum    1 weight  0.10000E+01 volume  0.30528E-02 ppm1      0.323 ppm2      2.352 CV     1
 ASSI { 3316}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 125  and name HB2 ))
      2.300     0.700     0.700 peak  3316 spectrum    1 weight  0.10000E+01 volume  0.47250E-02 ppm1      0.322 ppm2      2.146 CV     1
 OR { 3316}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 125  and name HB3 ))
 ASSI { 3317}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 125  and name HG  ))
      1.900     0.500     0.500 peak  3317 spectrum    1 weight  0.10000E+01 volume  0.10443E-01 ppm1      0.322 ppm2      1.805 CV     1
 ASSI { 3319}
   (  segid "    " and resid 125  and name HD2%)
   (  segid "    " and resid 85   and name HG2%)
      3.500     1.600     1.600 peak  3319 spectrum    1 weight  0.10000E+01 volume  0.10016E-02 ppm1      0.323 ppm2      1.053 CV     1
 ASSI { 3322}
   (  segid "    " and resid 125  and name HD2%)
   (  segid "    " and resid 90   and name HD1%)
      1.900     1.900     4.100 peak  3322 spectrum    1 weight  0.10000E+01 volume  0.45729E-02 ppm1      0.322 ppm2      0.721 CV     1
 ASSI { 3323}
   (  segid "    " and resid 125  and name HD2%)
   (  segid "    " and resid 125  and name HD1%)
      1.900     0.500     0.500 peak  3323 spectrum    1 weight  0.10000E+01 volume  0.15951E-01 ppm1      0.322 ppm2      0.562 CV     1
 ASSI { 3326}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 81   and name HA  ))
      2.200     0.600     0.600 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.26216E-02 ppm1      0.322 ppm2      2.676 CV     1
 ASSI { 3327}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 125  and name HA  ))
      1.800     0.400     0.400 peak  3327 spectrum    1 weight  0.10000E+01 volume  0.11868E-01 ppm1      0.322 ppm2      4.341 CV     1
 ASSI { 3330}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 125  and name HN  ))
      3.400     1.500     1.500 peak  3330 spectrum    1 weight  0.10000E+01 volume  0.28387E-02 ppm1      0.322 ppm2      7.649 CV     1
 ASSI { 3331}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 80   and name HH2 ))
      2.800     1.000     1.000 peak  3331 spectrum    1 weight  0.10000E+01 volume  0.31658E-02 ppm1      0.322 ppm2      7.132 CV     1
 OR { 3331}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 80   and name HZ3 ))
 ASSI { 3332}
   (  segid "    " and resid 125  and name HD2%)
   (  segid "    " and resid 113  and name HD% )
      3.700     1.700     1.700 peak  3332 spectrum    1 weight  0.10000E+01 volume  0.80859E-03 ppm1      0.320 ppm2      7.250 CV     1
 ASSI { 3334}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 84   and name HN  ))
      3.100     1.200     1.200 peak  3334 spectrum    1 weight  0.10000E+01 volume  0.71677E-03 ppm1      0.323 ppm2      8.462 CV     1
 ASSI { 3337}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HN  ))
      2.500     0.800     0.800 peak  3337 spectrum    1 weight  0.10000E+01 volume  0.26926E-02 ppm1      4.339 ppm2      7.650 CV     1
 ASSI { 3340}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      4.300     2.300     1.700 peak  3340 spectrum    1 weight  0.10000E+01 volume  0.13359E-02 ppm1      4.338 ppm2      3.459 CV     1
 OR { 3340}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 ASSI { 3341}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 128  and name HB3 ))
      2.900     1.000     1.000 peak  3341 spectrum    1 weight  0.10000E+01 volume  0.12289E-02 ppm1      4.341 ppm2      2.796 CV     1
 OR { 3341}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 128  and name HB2 ))
 ASSI { 3342}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 81   and name HA  ))
      5.000     3.200     1.000 peak  3342 spectrum    1 weight  0.10000E+01 volume  0.82016E-03 ppm1      4.343 ppm2      2.707 CV     1
 ASSI { 3344}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HB2 ))
      2.300     0.700     0.700 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.39320E-02 ppm1      4.339 ppm2      2.144 CV     1
 OR { 3344}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HB3 ))
 ASSI { 3359}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 126  and name HB2 ))
      2.100     0.600     0.600 peak  3359 spectrum    1 weight  0.10000E+01 volume  0.65186E-02 ppm1      3.742 ppm2      3.266 CV     1
 OR { 3359}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 126  and name HB3 ))
 ASSI { 3360}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 129  and name HB3 ))
      2.500     0.800     0.800 peak  3360 spectrum    1 weight  0.10000E+01 volume  0.19980E-02 ppm1      3.741 ppm2      0.868 CV     1
 OR { 3360}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 129  and name HB2 ))
 ASSI { 3361}
   (( segid "    " and resid 126  and name HA  ))
   (  segid "    " and resid 105  and name HD2%)
      4.000     2.000     2.000 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.18709E-02 ppm1      3.741 ppm2      1.273 CV     1
 ASSI { 3362}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 123  and name HA  ))
      4.300     2.400     1.700 peak  3362 spectrum    1 weight  0.10000E+01 volume  0.13349E-02 ppm1      3.739 ppm2      4.388 CV     1
 ASSI { 3363}
   (( segid "    " and resid 126  and name HA  ))
   (  segid "    " and resid 113  and name HD% )
      3.800     1.800     1.800 peak  3363 spectrum    1 weight  0.10000E+01 volume  0.60375E-03 ppm1      3.742 ppm2      7.285 CV     1
 ASSI { 3365}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 126  and name HE3 ))
      2.300     0.700     0.700 peak  3365 spectrum    1 weight  0.10000E+01 volume  0.32379E-02 ppm1      3.742 ppm2      6.243 CV     1
 ASSI { 3366}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 126  and name HN  ))
      2.500     0.800     0.800 peak  3366 spectrum    1 weight  0.10000E+01 volume  0.29696E-02 ppm1      3.743 ppm2      8.903 CV     1
 ASSI { 3367}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 129  and name HN  ))
      3.300     1.300     1.300 peak  3367 spectrum    1 weight  0.10000E+01 volume  0.13658E-02 ppm1      3.742 ppm2      8.072 CV     1
 ASSI { 3373}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 131  and name HN  ))
      3.600     1.600     1.600 peak  3373 spectrum    1 weight  0.10000E+01 volume  0.72793E-03 ppm1      3.892 ppm2      7.676 CV     1
 ASSI { 3378}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 130  and name HA  ))
      4.400     2.400     1.600 peak  3378 spectrum    1 weight  0.10000E+01 volume  0.64473E-03 ppm1      3.895 ppm2      3.464 CV     1
 ASSI { 3381}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 50   and name HD3 ))
      3.600     1.600     1.600 peak  3381 spectrum    1 weight  0.10000E+01 volume  0.14498E-02 ppm1      3.895 ppm2      1.510 CV     1
 OR { 3381}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 50   and name HD2 ))
 ASSI { 3385}
   (( segid "    " and resid 127  and name HB3 ))
   (( segid "    " and resid 53   and name HZ  ))
      3.100     1.200     1.200 peak  3385 spectrum    1 weight  0.10000E+01 volume  0.74623E-03 ppm1      2.293 ppm2      7.288 CV     1
 OR { 3385}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 53   and name HZ  ))
 ASSI { 3393}
   (( segid "    " and resid 127  and name HB3 ))
   (  segid "    " and resid 49   and name HD1%)
      3.300     1.300     1.300 peak  3393 spectrum    1 weight  0.10000E+01 volume  0.82891E-03 ppm1      2.280 ppm2      0.888 CV     1
 OR { 3393}
   (( segid "    " and resid 127  and name HB2 ))
   (  segid "    " and resid 49   and name HD1%)
 OR { 3393}
   (( segid "    " and resid 127  and name HB3 ))
   (  segid "    " and resid 49   and name HD2%)
 OR { 3393}
   (( segid "    " and resid 127  and name HB2 ))
   (  segid "    " and resid 49   and name HD2%)
 ASSI { 3396}
   (( segid "    " and resid 127  and name HG3 ))
   (( segid "    " and resid 53   and name HZ  ))
      3.600     1.600     1.600 peak  3396 spectrum    1 weight  0.10000E+01 volume  0.95876E-03 ppm1      2.524 ppm2      7.280 CV     1
 OR { 3396}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 53   and name HZ  ))
 ASSI { 3398}
   (( segid "    " and resid 127  and name HG3 ))
   (( segid "    " and resid 45   and name HG3 ))
      1.600     1.600     4.400 peak  3398 spectrum    1 weight  0.10000E+01 volume  0.44293E-01 ppm1      2.501 ppm2      2.590 CV     1
 OR { 3398}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI { 3399}
   (( segid "    " and resid 127  and name HG3 ))
   (( segid "    " and resid 127  and name HB3 ))
      1.900     0.400     0.400 peak  3399 spectrum    1 weight  0.10000E+01 volume  0.18244E-01 ppm1      2.526 ppm2      2.323 CV     1
 OR { 3399}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HB2 ))
 OR { 3399}
   (( segid "    " and resid 127  and name HG3 ))
   (( segid "    " and resid 127  and name HB2 ))
 ASSI { 3400}
   (( segid "    " and resid 127  and name HG3 ))
   (( segid "    " and resid 45   and name HB2 ))
      3.200     1.300     1.300 peak  3400 spectrum    1 weight  0.10000E+01 volume  0.85580E-03 ppm1      2.526 ppm2      2.151 CV     1
 ASSI { 3401}
   (( segid "    " and resid 127  and name HG3 ))
   (  segid "    " and resid 45   and name HE% )
      3.100     1.200     1.200 peak  3401 spectrum    1 weight  0.10000E+01 volume  0.95263E-03 ppm1      2.526 ppm2      2.062 CV     1
 OR { 3401}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 45   and name HE% )
 ASSI { 3403}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 130  and name HB3 ))
      3.100     1.200     1.200 peak  3403 spectrum    1 weight  0.10000E+01 volume  0.12878E-02 ppm1      2.526 ppm2      1.714 CV     1
 OR { 3403}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 130  and name HB2 ))
 OR { 3403}
   (( segid "    " and resid 127  and name HG3 ))
   (( segid "    " and resid 130  and name HB3 ))
 OR { 3403}
   (( segid "    " and resid 127  and name HG3 ))
   (( segid "    " and resid 130  and name HB2 ))
 ASSI { 3405}
   (( segid "    " and resid 127  and name HG3 ))
   (  segid "    " and resid 49   and name HD1%)
      3.500     1.600     1.600 peak  3405 spectrum    1 weight  0.10000E+01 volume  0.17078E-02 ppm1      2.524 ppm2      0.882 CV     1
 OR { 3405}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 49   and name HD1%)
 OR { 3405}
   (( segid "    " and resid 127  and name HG3 ))
   (  segid "    " and resid 49   and name HD2%)
 ASSI { 3406}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 130  and name HA  ))
      3.200     3.200     2.800 peak  3406 spectrum    1 weight  0.10000E+01 volume  0.38520E-02 ppm1      3.806 ppm2      3.467 CV     1
 ASSI { 3407}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 128  and name HB2 ))
      2.200     0.600     0.600 peak  3407 spectrum    1 weight  0.10000E+01 volume  0.36127E-02 ppm1      3.805 ppm2      2.796 CV     1
 OR { 3407}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 128  and name HB3 ))
 ASSI { 3408}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 131  and name HB  ))
      1.800     0.400     0.400 peak  3408 spectrum    1 weight  0.10000E+01 volume  0.31739E-02 ppm1      3.805 ppm2      2.085 CV     1
 ASSI { 3409}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 134  and name HB2 ))
      4.300     2.300     1.700 peak  3409 spectrum    1 weight  0.10000E+01 volume  0.13871E-02 ppm1      3.807 ppm2      1.796 CV     1
 OR { 3409}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 134  and name HB3 ))
 ASSI { 3410}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 131  and name HG12))
      3.300     1.400     1.400 peak  3410 spectrum    1 weight  0.10000E+01 volume  0.94282E-03 ppm1      3.806 ppm2      1.231 CV     1
 OR { 3410}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 131  and name HG13))
 ASSI { 3411}
   (( segid "    " and resid 128  and name HA  ))
   (  segid "    " and resid 131  and name HD1%)
      2.900     1.100     1.100 peak  3411 spectrum    1 weight  0.10000E+01 volume  0.43103E-02 ppm1      3.806 ppm2      0.989 CV     1
 OR { 3411}
   (( segid "    " and resid 128  and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 3414}
   (( segid "    " and resid 128  and name HA  ))
   (  segid "    " and resid 53   and name HE% )
      3.200     1.300     1.300 peak  3414 spectrum    1 weight  0.10000E+01 volume  0.86201E-03 ppm1      3.815 ppm2      7.151 CV     1
 ASSI { 3415}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 128  and name HD2 ))
      2.000     0.500     0.500 peak  3415 spectrum    1 weight  0.10000E+01 volume  0.63259E-02 ppm1      3.805 ppm2      6.382 CV     1
 ASSI { 3416}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 129  and name HN  ))
      2.900     1.100     1.100 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.98705E-03 ppm1      3.806 ppm2      8.071 CV     1
 ASSI { 3418}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 131  and name HN  ))
      3.200     1.300     1.300 peak  3418 spectrum    1 weight  0.10000E+01 volume  0.12725E-02 ppm1      3.809 ppm2      7.679 CV     1
 ASSI { 3424}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 53   and name HE% )
      2.600     0.800     0.800 peak  3424 spectrum    1 weight  0.10000E+01 volume  0.15339E-02 ppm1      2.793 ppm2      7.141 CV     1
 OR { 3424}
   (( segid "    " and resid 128  and name HB3 ))
   (  segid "    " and resid 53   and name HE% )
 ASSI { 3427}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HN  ))
      2.300     0.700     0.700 peak  3427 spectrum    1 weight  0.10000E+01 volume  0.35330E-02 ppm1      2.796 ppm2      7.904 CV     1
 OR { 3427}
   (( segid "    " and resid 128  and name HB3 ))
   (( segid "    " and resid 128  and name HN  ))
 ASSI { 3428}
   (( segid "    " and resid 128  and name HB3 ))
   (( segid "    " and resid 129  and name HN  ))
      2.800     1.000     1.000 peak  3428 spectrum    1 weight  0.10000E+01 volume  0.11069E-02 ppm1      2.795 ppm2      8.073 CV     1
 OR { 3428}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 129  and name HN  ))
 ASSI { 3429}
   (( segid "    " and resid 128  and name HB3 ))
   (( segid "    " and resid 80   and name HZ2 ))
      2.900     1.100     1.100 peak  3429 spectrum    1 weight  0.10000E+01 volume  0.14163E-02 ppm1      2.795 ppm2      7.785 CV     1
 OR { 3429}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 80   and name HZ2 ))
 ASSI { 3432}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 132  and name HN  ))
      3.200     1.300     1.300 peak  3432 spectrum    1 weight  0.10000E+01 volume  0.16106E-02 ppm1      3.247 ppm2      8.363 CV     1
 ASSI { 3433}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HN  ))
      2.500     0.800     0.800 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.29254E-02 ppm1      3.247 ppm2      8.071 CV     1
 ASSI { 3436}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 126  and name HA  ))
      4.000     2.000     2.000 peak  3436 spectrum    1 weight  0.10000E+01 volume  0.97085E-03 ppm1      3.247 ppm2      3.781 CV     1
 ASSI { 3438}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 105  and name HD1%)
      3.400     1.500     1.500 peak  3438 spectrum    1 weight  0.10000E+01 volume  0.29593E-02 ppm1      3.246 ppm2      1.421 CV     1
 ASSI { 3439}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 105  and name HD2%)
      2.900     1.000     1.000 peak  3439 spectrum    1 weight  0.10000E+01 volume  0.42789E-02 ppm1      3.246 ppm2      1.278 CV     1
 ASSI { 3440}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 132  and name HB3 ))
      3.600     1.600     1.600 peak  3440 spectrum    1 weight  0.10000E+01 volume  0.16596E-02 ppm1      3.246 ppm2      0.997 CV     1
 OR { 3440}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 132  and name HB2 ))
 ASSI { 3443}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 129  and name HD2%)
      2.800     1.000     1.000 peak  3443 spectrum    1 weight  0.10000E+01 volume  0.54242E-02 ppm1      3.246 ppm2     -0.044 CV     1
 ASSI { 3449}
   (( segid "    " and resid 129  and name HB2 ))
   (  segid "    " and resid 105  and name HD2%)
      2.500     2.500     3.500 peak  3449 spectrum    1 weight  0.10000E+01 volume  0.13382E-01 ppm1      0.873 ppm2      1.271 CV     1
 OR { 3449}
   (( segid "    " and resid 129  and name HB3 ))
   (  segid "    " and resid 105  and name HD2%)
 ASSI { 3451}
   (( segid "    " and resid 129  and name HB3 ))
   (( segid "    " and resid 129  and name HG  ))
      2.200     0.600     0.600 peak  3451 spectrum    1 weight  0.10000E+01 volume  0.36601E-02 ppm1      0.873 ppm2      1.182 CV     1
 OR { 3451}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 129  and name HG  ))
 ASSI { 3452}
   (( segid "    " and resid 129  and name HB2 ))
   (  segid "    " and resid 105  and name HD1%)
      4.300     2.300     1.700 peak  3452 spectrum    1 weight  0.10000E+01 volume  0.67760E-03 ppm1      0.873 ppm2      1.414 CV     1
 OR { 3452}
   (( segid "    " and resid 129  and name HB3 ))
   (  segid "    " and resid 105  and name HD1%)
 ASSI { 3457}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 80   and name HH2 ))
      2.900     1.000     1.000 peak  3457 spectrum    1 weight  0.10000E+01 volume  0.61329E-03 ppm1      0.868 ppm2      7.118 CV     1
 OR { 3457}
   (( segid "    " and resid 129  and name HB3 ))
   (( segid "    " and resid 80   and name HH2 ))
 OR { 3457}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 80   and name HZ3 ))
 ASSI { 3458}
   (( segid "    " and resid 129  and name HB3 ))
   (( segid "    " and resid 133  and name HE22))
      3.800     1.800     1.800 peak  3458 spectrum    1 weight  0.10000E+01 volume  0.78997E-03 ppm1      0.872 ppm2      6.006 CV     1
 OR { 3458}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 133  and name HE22))
 ASSI { 3460}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 129  and name HN  ))
      2.400     0.700     0.700 peak  3460 spectrum    1 weight  0.10000E+01 volume  0.31587E-02 ppm1      0.873 ppm2      8.072 CV     1
 OR { 3460}
   (( segid "    " and resid 129  and name HB3 ))
   (( segid "    " and resid 129  and name HN  ))
 ASSI { 3461}
   (( segid "    " and resid 129  and name HB3 ))
   (( segid "    " and resid 130  and name HN  ))
      2.500     0.800     0.800 peak  3461 spectrum    1 weight  0.10000E+01 volume  0.21712E-02 ppm1      0.873 ppm2      7.934 CV     1
 OR { 3461}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 130  and name HN  ))
 ASSI { 3462}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 80   and name HZ2 ))
      2.800     1.000     1.000 peak  3462 spectrum    1 weight  0.10000E+01 volume  0.60595E-03 ppm1      0.873 ppm2      7.788 CV     1
 OR { 3462}
   (( segid "    " and resid 129  and name HB3 ))
   (( segid "    " and resid 80   and name HZ2 ))
 ASSI { 3467}
   (( segid "    " and resid 129  and name HG  ))
   (  segid "    " and resid 105  and name HD2%)
      3.100     1.200     1.200 peak  3467 spectrum    1 weight  0.10000E+01 volume  0.54060E-02 ppm1      1.198 ppm2      1.292 CV     1
 ASSI { 3470}
   (( segid "    " and resid 129  and name HG  ))
   (( segid "    " and resid 129  and name HA  ))
      3.200     1.300     1.300 peak  3470 spectrum    1 weight  0.10000E+01 volume  0.14072E-02 ppm1      1.199 ppm2      3.247 CV     1
 ASSI { 3472}
   (( segid "    " and resid 129  and name HG  ))
   (( segid "    " and resid 133  and name HE21))
      3.900     1.900     1.900 peak  3472 spectrum    1 weight  0.10000E+01 volume  0.67072E-03 ppm1      1.199 ppm2      6.673 CV     1
 ASSI { 3473}
   (( segid "    " and resid 129  and name HG  ))
   (( segid "    " and resid 133  and name HE22))
      2.600     0.900     0.900 peak  3473 spectrum    1 weight  0.10000E+01 volume  0.12655E-02 ppm1      1.201 ppm2      6.006 CV     1
 ASSI { 3475}
   (( segid "    " and resid 129  and name HG  ))
   (( segid "    " and resid 129  and name HN  ))
      3.600     1.700     1.700 peak  3475 spectrum    1 weight  0.10000E+01 volume  0.22817E-02 ppm1      1.198 ppm2      8.073 CV     1
 ASSI { 3476}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 129  and name HN  ))
      3.500     1.500     1.500 peak  3476 spectrum    1 weight  0.10000E+01 volume  0.18864E-02 ppm1      0.109 ppm2      8.073 CV     1
 ASSI { 3477}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 130  and name HN  ))
      3.700     1.700     1.700 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.97182E-03 ppm1      0.109 ppm2      7.935 CV     1
 ASSI { 3479}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 113  and name HZ  ))
      3.800     1.800     1.800 peak  3479 spectrum    1 weight  0.10000E+01 volume  0.11528E-02 ppm1      0.109 ppm2      7.584 CV     1
 ASSI { 3480}
   (  segid "    " and resid 129  and name HD1%)
   (  segid "    " and resid 113  and name HD% )
      3.400     1.400     1.400 peak  3480 spectrum    1 weight  0.10000E+01 volume  0.10873E-02 ppm1      0.109 ppm2      7.278 CV     1
 ASSI { 3481}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 80   and name HH2 ))
      2.600     0.800     0.800 peak  3481 spectrum    1 weight  0.10000E+01 volume  0.39160E-02 ppm1      0.109 ppm2      7.121 CV     1
 OR { 3481}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 80   and name HZ3 ))
 ASSI { 3482}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 126  and name HZ3 ))
      4.100     2.100     1.900 peak  3482 spectrum    1 weight  0.10000E+01 volume  0.65188E-03 ppm1      0.110 ppm2      6.802 CV     1
 ASSI { 3483}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 126  and name HE3 ))
      4.400     2.400     1.600 peak  3483 spectrum    1 weight  0.10000E+01 volume  0.12469E-02 ppm1      0.109 ppm2      6.245 CV     1
 ASSI { 3484}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 72   and name HZ3 ))
      3.300     1.300     1.300 peak  3484 spectrum    1 weight  0.10000E+01 volume  0.10942E-02 ppm1      0.109 ppm2      6.138 CV     1
 ASSI { 3485}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 133  and name HE22))
      3.200     1.200     1.200 peak  3485 spectrum    1 weight  0.10000E+01 volume  0.93998E-03 ppm1      0.109 ppm2      6.008 CV     1
 ASSI { 3487}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 126  and name HA  ))
      3.600     1.600     1.600 peak  3487 spectrum    1 weight  0.10000E+01 volume  0.21042E-02 ppm1      0.109 ppm2      3.740 CV     1
 ASSI { 3489}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 129  and name HA  ))
      1.800     0.400     0.400 peak  3489 spectrum    1 weight  0.10000E+01 volume  0.69400E-02 ppm1      0.109 ppm2      3.247 CV     1
 ASSI { 3490}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 131  and name HB  ))
      3.400     3.400     2.600 peak  3490 spectrum    1 weight  0.10000E+01 volume  0.11076E-02 ppm1      0.109 ppm2      2.127 CV     1
 ASSI { 3491}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 105  and name HG  ))
      2.500     0.800     0.800 peak  3491 spectrum    1 weight  0.10000E+01 volume  0.15608E-02 ppm1      0.109 ppm2      1.904 CV     1
 ASSI { 3493}
   (  segid "    " and resid 129  and name HD1%)
   (  segid "    " and resid 105  and name HD1%)
      3.000     1.100     1.100 peak  3493 spectrum    1 weight  0.10000E+01 volume  0.28777E-02 ppm1      0.109 ppm2      1.401 CV     1
 ASSI { 3494}
   (  segid "    " and resid 129  and name HD1%)
   (  segid "    " and resid 105  and name HD2%)
      1.700     0.400     0.500 peak  3494 spectrum    1 weight  0.10000E+01 volume  0.13173E-01 ppm1      0.109 ppm2      1.264 CV     1
 ASSI { 3495}
   (  segid "    " and resid 129  and name HD1%)
   (  segid "    " and resid 108  and name HD1%)
      3.400     1.400     1.400 peak  3495 spectrum    1 weight  0.10000E+01 volume  0.16964E-02 ppm1      0.109 ppm2      1.070 CV     1
 ASSI { 3496}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 125  and name HB2 ))
      2.400     2.400     3.600 peak  3496 spectrum    1 weight  0.10000E+01 volume  0.97928E-03 ppm1      0.107 ppm2      2.185 CV     1
 OR { 3496}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 125  and name HB3 ))
 ASSI { 3497}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 129  and name HG  ))
      1.900     0.400     0.400 peak  3497 spectrum    1 weight  0.10000E+01 volume  0.94407E-02 ppm1      0.109 ppm2      1.196 CV     1
 ASSI { 3498}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 129  and name HB2 ))
      2.400     0.700     0.700 peak  3498 spectrum    1 weight  0.10000E+01 volume  0.55597E-02 ppm1      0.107 ppm2      0.877 CV     1
 OR { 3498}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 129  and name HB3 ))
 ASSI { 3499}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 69   and name HG3 ))
      2.400     0.700     0.700 peak  3499 spectrum    1 weight  0.10000E+01 volume  0.17901E-02 ppm1      0.107 ppm2      0.794 CV     1
 OR { 3499}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 69   and name HG2 ))
 ASSI { 3500}
   (  segid "    " and resid 129  and name HD1%)
   (  segid "    " and resid 81   and name HG2%)
      2.100     2.100     3.900 peak  3500 spectrum    1 weight  0.10000E+01 volume  0.20422E-02 ppm1      0.108 ppm2      0.405 CV     1
 ASSI { 3501}
   (  segid "    " and resid 129  and name HD1%)
   (  segid "    " and resid 129  and name HD2%)
      1.700     0.300     0.500 peak  3501 spectrum    1 weight  0.10000E+01 volume  0.22178E-01 ppm1      0.109 ppm2     -0.016 CV     1
 ASSI { 3502}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
      2.600     0.800     0.800 peak  3502 spectrum    1 weight  0.10000E+01 volume  0.20134E-02 ppm1      0.108 ppm2     -0.286 CV     1
 OR { 3502}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 69   and name HB3 ))
 ASSI { 3503}
   (  segid "    " and resid 129  and name HD1%)
   (  segid "    " and resid 132  and name HD1%)
      2.700     0.900     0.900 peak  3503 spectrum    1 weight  0.10000E+01 volume  0.29463E-02 ppm1      0.109 ppm2     -0.107 CV     1
 ASSI { 3505}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 69   and name HB2 ))
      3.400     1.400     1.400 peak  3505 spectrum    1 weight  0.10000E+01 volume  0.22401E-02 ppm1     -0.020 ppm2     -0.281 CV     1
 OR { 3505}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 69   and name HB3 ))
 ASSI { 3506}
   (  segid "    " and resid 129  and name HD2%)
   (  segid "    " and resid 132  and name HD1%)
      3.200     1.300     1.300 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.52884E-02 ppm1     -0.018 ppm2     -0.120 CV     1
 ASSI { 3507}
   (  segid "    " and resid 129  and name HD2%)
   (  segid "    " and resid 81   and name HG2%)
      2.200     2.200     3.800 peak  3507 spectrum    1 weight  0.10000E+01 volume  0.16260E-02 ppm1     -0.020 ppm2      0.409 CV     1
 ASSI { 3510}
   (  segid "    " and resid 129  and name HD2%)
   (  segid "    " and resid 105  and name HD1%)
      2.300     0.700     0.700 peak  3510 spectrum    1 weight  0.10000E+01 volume  0.25908E-02 ppm1     -0.019 ppm2      1.399 CV     1
 ASSI { 3511}
   (  segid "    " and resid 129  and name HD2%)
   (  segid "    " and resid 105  and name HD2%)
      2.100     0.600     0.600 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.10811E-01 ppm1     -0.019 ppm2      1.259 CV     1
 ASSI { 3512}
   (  segid "    " and resid 129  and name HD2%)
   (  segid "    " and resid 108  and name HD1%)
      2.700     0.900     0.900 peak  3512 spectrum    1 weight  0.10000E+01 volume  0.12747E-02 ppm1     -0.019 ppm2      1.069 CV     1
 ASSI { 3513}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 129  and name HB2 ))
      2.100     0.500     0.500 peak  3513 spectrum    1 weight  0.10000E+01 volume  0.74547E-02 ppm1     -0.019 ppm2      0.876 CV     1
 OR { 3513}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 129  and name HB3 ))
 ASSI { 3514}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 129  and name HG  ))
      1.900     0.500     0.500 peak  3514 spectrum    1 weight  0.10000E+01 volume  0.77943E-02 ppm1     -0.018 ppm2      1.182 CV     1
 ASSI { 3517}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 105  and name HG  ))
      2.300     0.700     0.700 peak  3517 spectrum    1 weight  0.10000E+01 volume  0.23257E-02 ppm1     -0.019 ppm2      1.903 CV     1
 ASSI { 3518}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 106  and name HA  ))
      2.700     0.900     0.900 peak  3518 spectrum    1 weight  0.10000E+01 volume  0.17979E-02 ppm1     -0.019 ppm2      3.975 CV     1
 ASSI { 3519}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 126  and name HA  ))
      3.100     1.200     1.200 peak  3519 spectrum    1 weight  0.10000E+01 volume  0.12072E-02 ppm1     -0.019 ppm2      3.741 CV     1
 ASSI { 3522}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 126  and name HZ3 ))
      3.100     1.200     1.200 peak  3522 spectrum    1 weight  0.10000E+01 volume  0.91705E-03 ppm1     -0.020 ppm2      6.801 CV     1
 ASSI { 3523}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 133  and name HE21))
      4.500     2.500     1.500 peak  3523 spectrum    1 weight  0.10000E+01 volume  0.82650E-03 ppm1     -0.019 ppm2      6.673 CV     1
 ASSI { 3524}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 126  and name HE3 ))
      2.600     0.800     0.800 peak  3524 spectrum    1 weight  0.10000E+01 volume  0.94526E-03 ppm1     -0.020 ppm2      6.248 CV     1
 ASSI { 3525}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 72   and name HZ3 ))
      2.200     2.200     3.800 peak  3525 spectrum    1 weight  0.10000E+01 volume  0.15917E-02 ppm1     -0.019 ppm2      6.138 CV     1
 ASSI { 3526}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 133  and name HE22))
      3.800     1.800     1.800 peak  3526 spectrum    1 weight  0.10000E+01 volume  0.11125E-02 ppm1     -0.019 ppm2      6.007 CV     1
 ASSI { 3527}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 72   and name HH2 ))
      2.400     2.400     3.600 peak  3527 spectrum    1 weight  0.10000E+01 volume  0.91916E-03 ppm1     -0.019 ppm2      5.803 CV     1
 ASSI { 3528}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 129  and name HN  ))
      3.800     1.800     1.800 peak  3528 spectrum    1 weight  0.10000E+01 volume  0.18071E-02 ppm1     -0.020 ppm2      8.072 CV     1
 ASSI { 3529}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 130  and name HN  ))
      4.200     2.200     1.800 peak  3529 spectrum    1 weight  0.10000E+01 volume  0.99863E-03 ppm1     -0.018 ppm2      7.933 CV     1
 ASSI { 3531}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 113  and name HZ  ))
      3.800     1.800     1.800 peak  3531 spectrum    1 weight  0.10000E+01 volume  0.80048E-03 ppm1     -0.020 ppm2      7.583 CV     1
 ASSI { 3532}
   (  segid "    " and resid 129  and name HD2%)
   (  segid "    " and resid 113  and name HD% )
      2.600     0.800     0.800 peak  3532 spectrum    1 weight  0.10000E+01 volume  0.13200E-02 ppm1     -0.019 ppm2      7.275 CV     1
 ASSI { 3533}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 80   and name HH2 ))
      2.200     0.600     0.600 peak  3533 spectrum    1 weight  0.10000E+01 volume  0.28116E-02 ppm1     -0.020 ppm2      7.121 CV     1
 OR { 3533}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 80   and name HZ3 ))
 ASSI { 3534}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
      2.300     0.700     0.700 peak  3534 spectrum    1 weight  0.10000E+01 volume  0.57361E-02 ppm1      3.472 ppm2      7.928 CV     1
 ASSI { 3535}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HN  ))
      3.100     1.200     1.200 peak  3535 spectrum    1 weight  0.10000E+01 volume  0.12850E-02 ppm1      3.472 ppm2      7.696 CV     1
 ASSI { 3537}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 133  and name HE21))
      2.800     0.900     0.900 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.19962E-02 ppm1      3.473 ppm2      6.670 CV     1
 ASSI { 3538}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 133  and name HE22))
      2.400     0.700     0.700 peak  3538 spectrum    1 weight  0.10000E+01 volume  0.35907E-02 ppm1      3.472 ppm2      6.007 CV     1
 ASSI { 3542}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HG3 ))
      2.700     0.900     0.900 peak  3542 spectrum    1 weight  0.10000E+01 volume  0.36764E-02 ppm1      3.472 ppm2      1.455 CV     1
 OR { 3542}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HG2 ))
 ASSI { 3544}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 130  and name HN  ))
      2.300     0.600     0.600 peak  3544 spectrum    1 weight  0.10000E+01 volume  0.63064E-02 ppm1      1.736 ppm2      7.939 CV     1
 OR { 3544}
   (( segid "    " and resid 130  and name HB3 ))
   (( segid "    " and resid 130  and name HN  ))
 ASSI { 3545}
   (( segid "    " and resid 130  and name HB3 ))
   (( segid "    " and resid 131  and name HN  ))
      2.700     0.900     0.900 peak  3545 spectrum    1 weight  0.10000E+01 volume  0.25411E-02 ppm1      1.738 ppm2      7.686 CV     1
 OR { 3545}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 131  and name HN  ))
 ASSI { 3549}
   (( segid "    " and resid 130  and name HB3 ))
   (( segid "    " and resid 127  and name HA  ))
      2.800     1.000     1.000 peak  3549 spectrum    1 weight  0.10000E+01 volume  0.24995E-02 ppm1      1.734 ppm2      3.894 CV     1
 OR { 3549}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 127  and name HA  ))
 ASSI { 3561}
   (( segid "    " and resid 130  and name HG2 ))
   (( segid "    " and resid 130  and name HB2 ))
      1.800     0.400     0.400 peak  3561 spectrum    1 weight  0.10000E+01 volume  0.32555E-01 ppm1      1.453 ppm2      1.745 CV     1
 OR { 3561}
   (( segid "    " and resid 130  and name HG3 ))
   (( segid "    " and resid 130  and name HB3 ))
 OR { 3561}
   (( segid "    " and resid 130  and name HG2 ))
   (( segid "    " and resid 130  and name HB3 ))
 OR { 3561}
   (( segid "    " and resid 130  and name HG3 ))
   (( segid "    " and resid 130  and name HB2 ))
 ASSI { 3565}
   (( segid "    " and resid 130  and name HG2 ))
   (( segid "    " and resid 127  and name HA  ))
      4.300     2.300     1.700 peak  3565 spectrum    1 weight  0.10000E+01 volume  0.70365E-03 ppm1      1.455 ppm2      3.892 CV     1
 OR { 3565}
   (( segid "    " and resid 130  and name HG3 ))
   (( segid "    " and resid 127  and name HA  ))
 ASSI { 3569}
   (( segid "    " and resid 130  and name HG2 ))
   (( segid "    " and resid 130  and name HN  ))
      3.400     1.500     1.500 peak  3569 spectrum    1 weight  0.10000E+01 volume  0.26531E-02 ppm1      1.450 ppm2      7.926 CV     1
 OR { 3569}
   (( segid "    " and resid 130  and name HG3 ))
   (( segid "    " and resid 130  and name HN  ))
 ASSI { 3570}
   (( segid "    " and resid 130  and name HG3 ))
   (( segid "    " and resid 131  and name HN  ))
      4.200     2.200     1.800 peak  3570 spectrum    1 weight  0.10000E+01 volume  0.60516E-03 ppm1      1.452 ppm2      7.677 CV     1
 OR { 3570}
   (( segid "    " and resid 130  and name HG2 ))
   (( segid "    " and resid 131  and name HN  ))
 ASSI { 3572}
   (( segid "    " and resid 130  and name HG3 ))
   (( segid "    " and resid 126  and name HE1 ))
      3.300     1.300     1.300 peak  3572 spectrum    1 weight  0.10000E+01 volume  0.72200E-03 ppm1      1.451 ppm2      9.810 CV     1
 ASSI { 3573}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 132  and name HN  ))
      2.900     1.000     1.000 peak  3573 spectrum    1 weight  0.10000E+01 volume  0.13066E-02 ppm1      3.637 ppm2      8.362 CV     1
 ASSI { 3574}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 131  and name HN  ))
      2.300     0.600     0.600 peak  3574 spectrum    1 weight  0.10000E+01 volume  0.41019E-02 ppm1      3.638 ppm2      7.679 CV     1
 ASSI { 3575}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 134  and name HN  ))
      3.000     1.100     1.100 peak  3575 spectrum    1 weight  0.10000E+01 volume  0.16488E-02 ppm1      3.639 ppm2      7.403 CV     1
 ASSI { 3579}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 134  and name HE3 ))
      4.000     2.000     2.000 peak  3579 spectrum    1 weight  0.10000E+01 volume  0.68939E-03 ppm1      3.636 ppm2      2.926 CV     1
 OR { 3579}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 134  and name HE2 ))
 ASSI { 3580}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 131  and name HB  ))
      2.300     0.700     0.700 peak  3580 spectrum    1 weight  0.10000E+01 volume  0.38338E-02 ppm1      3.638 ppm2      2.082 CV     1
 ASSI { 3581}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 134  and name HG2 ))
      3.600     1.600     1.600 peak  3581 spectrum    1 weight  0.10000E+01 volume  0.15228E-02 ppm1      3.639 ppm2      1.630 CV     1
 OR { 3581}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 134  and name HG3 ))
 ASSI { 3582}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 134  and name HD2 ))
      2.700     0.900     0.900 peak  3582 spectrum    1 weight  0.10000E+01 volume  0.13659E-02 ppm1      3.638 ppm2      1.436 CV     1
 OR { 3582}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 134  and name HD3 ))
 ASSI { 3585}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 131  and name HG13))
      2.200     0.600     0.600 peak  3585 spectrum    1 weight  0.10000E+01 volume  0.47691E-02 ppm1      3.637 ppm2      1.237 CV     1
 OR { 3585}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 131  and name HG12))
 ASSI { 3586}
   (( segid "    " and resid 131  and name HA  ))
   (  segid "    " and resid 131  and name HD1%)
      2.100     0.500     0.500 peak  3586 spectrum    1 weight  0.10000E+01 volume  0.88390E-02 ppm1      3.639 ppm2      0.998 CV     1
 OR { 3586}
   (( segid "    " and resid 131  and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 3587}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 131  and name HG2%)
      2.000     0.500     0.500 peak  3587 spectrum    1 weight  0.10000E+01 volume  0.10625E-01 ppm1      2.089 ppm2      0.990 CV     1
 OR { 3587}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 131  and name HD1%)
 ASSI { 3589}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 134  and name HB2 ))
      3.300     1.300     1.300 peak  3589 spectrum    1 weight  0.10000E+01 volume  0.32205E-02 ppm1      2.088 ppm2      1.815 CV     1
 OR { 3589}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 134  and name HB3 ))
 ASSI { 3593}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 132  and name HN  ))
      2.300     0.700     0.700 peak  3593 spectrum    1 weight  0.10000E+01 volume  0.25575E-02 ppm1      2.087 ppm2      8.363 CV     1
 ASSI { 3594}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 131  and name HN  ))
      1.900     0.400     0.400 peak  3594 spectrum    1 weight  0.10000E+01 volume  0.61259E-02 ppm1      2.088 ppm2      7.679 CV     1
 ASSI { 3600}
   (( segid "    " and resid 131  and name HG13))
   (( segid "    " and resid 134  and name HB2 ))
      2.500     2.500     3.500 peak  3600 spectrum    1 weight  0.10000E+01 volume  0.17184E-01 ppm1      1.234 ppm2      1.813 CV     1
 OR { 3600}
   (( segid "    " and resid 131  and name HG13))
   (( segid "    " and resid 134  and name HB3 ))
 OR { 3600}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 134  and name HB3 ))
 ASSI { 3606}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 131  and name HB  ))
      2.300     0.700     0.700 peak  3606 spectrum    1 weight  0.10000E+01 volume  0.22911E-02 ppm1      1.233 ppm2      2.062 CV     1
 OR { 3606}
   (( segid "    " and resid 131  and name HG13))
   (( segid "    " and resid 131  and name HB  ))
 ASSI { 3609}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 131  and name HB  ))
      1.800     0.400     0.400 peak  3609 spectrum    1 weight  0.10000E+01 volume  0.13055E-01 ppm1      0.990 ppm2      2.086 CV     1
 ASSI { 3610}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 135  and name HB2 ))
      3.600     1.600     1.600 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.10432E-02 ppm1      0.992 ppm2      1.959 CV     1
 OR { 3610}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 135  and name HB3 ))
 ASSI { 3611}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 134  and name HB2 ))
      3.000     1.100     1.100 peak  3611 spectrum    1 weight  0.10000E+01 volume  0.53586E-02 ppm1      0.990 ppm2      1.812 CV     1
 OR { 3611}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 134  and name HB3 ))
 ASSI { 3612}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 134  and name HG2 ))
      3.900     1.900     1.900 peak  3612 spectrum    1 weight  0.10000E+01 volume  0.14836E-02 ppm1      0.991 ppm2      1.628 CV     1
 OR { 3612}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 134  and name HG3 ))
 ASSI { 3613}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 50   and name HD2 ))
      4.300     2.300     1.700 peak  3613 spectrum    1 weight  0.10000E+01 volume  0.93450E-03 ppm1      0.992 ppm2      1.509 CV     1
 OR { 3613}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 50   and name HD3 ))
 ASSI { 3614}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 134  and name HD2 ))
      2.900     1.100     1.100 peak  3614 spectrum    1 weight  0.10000E+01 volume  0.13389E-02 ppm1      0.990 ppm2      1.454 CV     1
 OR { 3614}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 134  and name HD3 ))
 ASSI { 3615}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 131  and name HG13))
      2.100     0.500     0.500 peak  3615 spectrum    1 weight  0.10000E+01 volume  0.83013E-02 ppm1      0.991 ppm2      1.243 CV     1
 OR { 3615}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 131  and name HG12))
 ASSI { 3616}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 132  and name HG  ))
      3.400     1.400     1.400 peak  3616 spectrum    1 weight  0.10000E+01 volume  0.14702E-02 ppm1      0.994 ppm2      1.339 CV     1
 ASSI { 3617}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 127  and name HB3 ))
      3.700     1.700     1.700 peak  3617 spectrum    1 weight  0.10000E+01 volume  0.12106E-02 ppm1      0.993 ppm2      2.303 CV     1
 ASSI { 3618}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 135  and name HG3 ))
      3.600     1.600     1.600 peak  3618 spectrum    1 weight  0.10000E+01 volume  0.70519E-03 ppm1      0.992 ppm2      2.243 CV     1
 OR { 3618}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 135  and name HG2 ))
 ASSI { 3619}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 129  and name HA  ))
      4.600     2.700     1.400 peak  3619 spectrum    1 weight  0.10000E+01 volume  0.65893E-03 ppm1      0.991 ppm2      3.268 CV     1
 ASSI { 3620}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 50   and name HE2 ))
      3.600     1.700     1.700 peak  3620 spectrum    1 weight  0.10000E+01 volume  0.86385E-03 ppm1      0.992 ppm2      3.029 CV     1
 OR { 3620}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 50   and name HE3 ))
 ASSI { 3621}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 132  and name HA  ))
      2.700     0.900     0.900 peak  3621 spectrum    1 weight  0.10000E+01 volume  0.27614E-02 ppm1      0.991 ppm2      3.934 CV     1
 ASSI { 3622}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 128  and name HA  ))
      3.500     1.500     1.500 peak  3622 spectrum    1 weight  0.10000E+01 volume  0.20215E-02 ppm1      0.990 ppm2      3.809 CV     1
 ASSI { 3623}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 131  and name HA  ))
      2.200     0.600     0.600 peak  3623 spectrum    1 weight  0.10000E+01 volume  0.85602E-02 ppm1      0.991 ppm2      3.639 CV     1
 ASSI { 3626}
   (  segid "    " and resid 131  and name HG2%)
   (  segid "    " and resid 53   and name HE% )
      2.900     1.100     1.100 peak  3626 spectrum    1 weight  0.10000E+01 volume  0.14613E-02 ppm1      0.990 ppm2      7.112 CV     1
 OR { 3626}
   (  segid "    " and resid 131  and name HG2%)
   (  segid "    " and resid 53   and name HD% )
 ASSI { 3627}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 128  and name HD2 ))
      2.400     0.700     0.700 peak  3627 spectrum    1 weight  0.10000E+01 volume  0.30379E-02 ppm1      0.991 ppm2      6.383 CV     1
 ASSI { 3631}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HG12))
      1.700     0.300     0.500 peak  3631 spectrum    1 weight  0.10000E+01 volume  0.24926E-01 ppm1      0.987 ppm2      1.232 CV     1
 OR { 3631}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HG13))
 ASSI { 3632}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 134  and name HB2 ))
      2.500     0.800     0.800 peak  3632 spectrum    1 weight  0.10000E+01 volume  0.15284E-01 ppm1      0.987 ppm2      1.814 CV     1
 OR { 3632}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 134  and name HB3 ))
 ASSI { 3633}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 134  and name HG2 ))
      3.800     1.800     1.800 peak  3633 spectrum    1 weight  0.10000E+01 volume  0.13289E-02 ppm1      0.989 ppm2      1.622 CV     1
 OR { 3633}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 134  and name HG3 ))
 ASSI { 3634}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 50   and name HD3 ))
      3.600     1.600     1.600 peak  3634 spectrum    1 weight  0.10000E+01 volume  0.12515E-02 ppm1      0.988 ppm2      1.519 CV     1
 OR { 3634}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 50   and name HD2 ))
 ASSI { 3635}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 130  and name HB3 ))
      2.800     1.000     1.000 peak  3635 spectrum    1 weight  0.10000E+01 volume  0.22692E-02 ppm1      0.990 ppm2      1.721 CV     1
 OR { 3635}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 130  and name HB2 ))
 ASSI { 3636}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HB  ))
      2.500     0.800     0.800 peak  3636 spectrum    1 weight  0.10000E+01 volume  0.38517E-02 ppm1      0.986 ppm2      2.090 CV     1
 ASSI { 3637}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 127  and name HG3 ))
      2.700     0.900     0.900 peak  3637 spectrum    1 weight  0.10000E+01 volume  0.37840E-02 ppm1      0.987 ppm2      2.525 CV     1
 OR { 3637}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 127  and name HG2 ))
 ASSI { 3638}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 127  and name HB3 ))
      2.300     0.600     0.600 peak  3638 spectrum    1 weight  0.10000E+01 volume  0.33395E-02 ppm1      0.988 ppm2      2.308 CV     1
 ASSI { 3641}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 128  and name HA  ))
      2.800     1.000     1.000 peak  3641 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      0.986 ppm2      3.807 CV     1
 ASSI { 3642}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HA  ))
      2.400     0.700     0.700 peak  3642 spectrum    1 weight  0.10000E+01 volume  0.28918E-02 ppm1      0.987 ppm2      3.639 CV     1
 ASSI { 3643}
   (  segid "    " and resid 131  and name HD1%)
   (  segid "    " and resid 53   and name HE% )
      3.100     1.200     1.200 peak  3643 spectrum    1 weight  0.10000E+01 volume  0.48155E-02 ppm1      0.987 ppm2      7.118 CV     1
 ASSI { 3644}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 128  and name HD2 ))
      4.000     2.000     2.000 peak  3644 spectrum    1 weight  0.10000E+01 volume  0.19504E-02 ppm1      0.987 ppm2      6.385 CV     1
 ASSI { 3645}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 53   and name HZ  ))
      3.600     1.700     1.700 peak  3645 spectrum    1 weight  0.10000E+01 volume  0.92976E-03 ppm1      0.988 ppm2      7.253 CV     1
 ASSI { 3647}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 130  and name HN  ))
      3.800     1.800     1.800 peak  3647 spectrum    1 weight  0.10000E+01 volume  0.93204E-03 ppm1      0.988 ppm2      7.942 CV     1
 ASSI { 3655}
   (( segid "    " and resid 132  and name HB3 ))
   (( segid "    " and resid 134  and name HD2 ))
      2.600     2.600     3.400 peak  3655 spectrum    1 weight  0.10000E+01 volume  0.61671E-02 ppm1      0.995 ppm2      1.415 CV     1
 OR { 3655}
   (( segid "    " and resid 132  and name HB3 ))
   (( segid "    " and resid 134  and name HD3 ))
 OR { 3655}
   (( segid "    " and resid 132  and name HB2 ))
   (( segid "    " and resid 134  and name HD3 ))
 OR { 3655}
   (( segid "    " and resid 132  and name HB2 ))
   (( segid "    " and resid 134  and name HD2 ))
 ASSI { 3657}
   (( segid "    " and resid 132  and name HB3 ))
   (( segid "    " and resid 132  and name HG  ))
      2.600     0.900     0.900 peak  3657 spectrum    1 weight  0.10000E+01 volume  0.21205E-02 ppm1      0.996 ppm2      1.319 CV     1
 OR { 3657}
   (( segid "    " and resid 132  and name HB2 ))
   (( segid "    " and resid 132  and name HG  ))
 ASSI { 3661}
   (( segid "    " and resid 132  and name HB3 ))
   (( segid "    " and resid 69   and name HG3 ))
      3.100     1.200     1.200 peak  3661 spectrum    1 weight  0.10000E+01 volume  0.11529E-02 ppm1      0.988 ppm2      0.775 CV     1
 OR { 3661}
   (( segid "    " and resid 132  and name HB2 ))
   (( segid "    " and resid 69   and name HG3 ))
 OR { 3661}
   (( segid "    " and resid 132  and name HB2 ))
   (( segid "    " and resid 69   and name HG2 ))
 ASSI { 3664}
   (( segid "    " and resid 132  and name HB2 ))
   (( segid "    " and resid 132  and name HA  ))
      2.600     0.900     0.900 peak  3664 spectrum    1 weight  0.10000E+01 volume  0.25765E-02 ppm1      0.996 ppm2      3.934 CV     1
 OR { 3664}
   (( segid "    " and resid 132  and name HB3 ))
   (( segid "    " and resid 132  and name HA  ))
 ASSI { 3668}
   (( segid "    " and resid 132  and name HB3 ))
   (( segid "    " and resid 132  and name HN  ))
      2.900     1.100     1.100 peak  3668 spectrum    1 weight  0.10000E+01 volume  0.17387E-02 ppm1      0.996 ppm2      8.363 CV     1
 OR { 3668}
   (( segid "    " and resid 132  and name HB2 ))
   (( segid "    " and resid 132  and name HN  ))
 ASSI { 3673}
   (( segid "    " and resid 132  and name HG  ))
   (  segid "    " and resid 132  and name HD2%)
      2.200     0.600     0.600 peak  3673 spectrum    1 weight  0.10000E+01 volume  0.42995E-02 ppm1      1.317 ppm2      0.891 CV     1
 ASSI { 3674}
   (( segid "    " and resid 132  and name HG  ))
   (( segid "    " and resid 134  and name HD2 ))
      3.700     1.700     1.700 peak  3674 spectrum    1 weight  0.10000E+01 volume  0.19310E-02 ppm1      1.321 ppm2      1.435 CV     1
 OR { 3674}
   (( segid "    " and resid 132  and name HG  ))
   (( segid "    " and resid 134  and name HD3 ))
 ASSI { 3676}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 132  and name HA  ))
      4.000     2.000     2.000 peak  3676 spectrum    1 weight  0.10000E+01 volume  0.13496E-02 ppm1     -0.090 ppm2      3.933 CV     1
 ASSI { 3678}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 129  and name HA  ))
      1.900     0.500     0.500 peak  3678 spectrum    1 weight  0.10000E+01 volume  0.42957E-02 ppm1     -0.090 ppm2      3.247 CV     1
 ASSI { 3681}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 72   and name HZ3 ))
      3.300     1.400     1.400 peak  3681 spectrum    1 weight  0.10000E+01 volume  0.81070E-03 ppm1     -0.090 ppm2      6.137 CV     1
 ASSI { 3683}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 72   and name HH2 ))
      1.900     0.400     0.400 peak  3683 spectrum    1 weight  0.10000E+01 volume  0.51757E-02 ppm1     -0.090 ppm2      5.803 CV     1
 ASSI { 3684}
   (  segid "    " and resid 132  and name HD1%)
   (  segid "    " and resid 56   and name HE% )
      3.300     1.400     1.400 peak  3684 spectrum    1 weight  0.10000E+01 volume  0.21122E-02 ppm1     -0.090 ppm2      7.074 CV     1
 ASSI { 3685}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 72   and name HZ2 ))
      3.100     1.200     1.200 peak  3685 spectrum    1 weight  0.10000E+01 volume  0.39805E-02 ppm1     -0.090 ppm2      6.975 CV     1
 ASSI { 3686}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 132  and name HN  ))
      3.100     1.200     1.200 peak  3686 spectrum    1 weight  0.10000E+01 volume  0.15578E-02 ppm1     -0.090 ppm2      8.364 CV     1
 ASSI { 3687}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 134  and name HD2 ))
      2.500     2.500     3.500 peak  3687 spectrum    1 weight  0.10000E+01 volume  0.51892E-02 ppm1     -0.090 ppm2      1.418 CV     1
 OR { 3687}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 134  and name HD3 ))
 ASSI { 3688}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 132  and name HG  ))
      2.000     0.500     0.500 peak  3688 spectrum    1 weight  0.10000E+01 volume  0.53429E-02 ppm1     -0.092 ppm2      1.322 CV     1
 ASSI { 3690}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 132  and name HB3 ))
      2.100     0.600     0.600 peak  3690 spectrum    1 weight  0.10000E+01 volume  0.53293E-02 ppm1     -0.090 ppm2      0.999 CV     1
 OR { 3690}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 132  and name HB2 ))
 ASSI { 3692}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 69   and name HG3 ))
      2.800     1.000     1.000 peak  3692 spectrum    1 weight  0.10000E+01 volume  0.19630E-02 ppm1     -0.090 ppm2      0.779 CV     1
 OR { 3692}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 69   and name HG2 ))
 ASSI { 3693}
   (  segid "    " and resid 108  and name HD2%)
   (  segid "    " and resid 105  and name HD1%)
      2.000     0.500     0.500 peak  3693 spectrum    1 weight  0.10000E+01 volume  0.56481E-02 ppm1      0.890 ppm2      1.416 CV     1
 ASSI { 3696}
   (( segid "    " and resid 132  and name HA  ))
   (  segid "    " and resid 132  and name HD2%)
      2.200     0.600     0.600 peak  3696 spectrum    1 weight  0.10000E+01 volume  0.15464E-01 ppm1      3.936 ppm2      0.879 CV     1
 ASSI { 3698}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 132  and name HG  ))
      2.600     0.800     0.800 peak  3698 spectrum    1 weight  0.10000E+01 volume  0.30959E-02 ppm1      3.940 ppm2      1.326 CV     1
 ASSI { 3703}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 69   and name HD3 ))
      2.900     1.000     1.000 peak  3703 spectrum    1 weight  0.10000E+01 volume  0.18072E-02 ppm1      3.917 ppm2      3.384 CV     1
 OR { 3703}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 69   and name HD2 ))
 ASSI { 3704}
   (( segid "    " and resid 133  and name HB3 ))
   (( segid "    " and resid 133  and name HN  ))
      2.700     0.900     0.900 peak  3704 spectrum    1 weight  0.10000E+01 volume  0.26701E-02 ppm1      1.778 ppm2      7.320 CV     1
 OR { 3704}
   (( segid "    " and resid 133  and name HB2 ))
   (( segid "    " and resid 133  and name HN  ))
 ASSI { 3705}
   (( segid "    " and resid 133  and name HB3 ))
   (( segid "    " and resid 133  and name HE22))
      4.000     2.000     2.000 peak  3705 spectrum    1 weight  0.10000E+01 volume  0.10579E-02 ppm1      1.768 ppm2      6.015 CV     1
 OR { 3705}
   (( segid "    " and resid 133  and name HB2 ))
   (( segid "    " and resid 133  and name HE22))
 ASSI { 3707}
   (( segid "    " and resid 133  and name HB2 ))
   (( segid "    " and resid 133  and name HA  ))
      2.800     1.000     1.000 peak  3707 spectrum    1 weight  0.10000E+01 volume  0.18486E-02 ppm1      1.781 ppm2      3.928 CV     1
 OR { 3707}
   (( segid "    " and resid 133  and name HB3 ))
   (( segid "    " and resid 133  and name HA  ))
 ASSI { 3711}
   (( segid "    " and resid 133  and name HB2 ))
   (( segid "    " and resid 137  and name HB  ))
      2.300     2.300     3.700 peak  3711 spectrum    1 weight  0.10000E+01 volume  0.10931E-01 ppm1      1.778 ppm2      2.079 CV     1
 OR { 3711}
   (( segid "    " and resid 133  and name HB3 ))
   (( segid "    " and resid 137  and name HB  ))
 ASSI { 3722}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 133  and name HN  ))
      2.900     1.000     1.000 peak  3722 spectrum    1 weight  0.10000E+01 volume  0.24865E-02 ppm1      1.780 ppm2      7.324 CV     1
 OR { 3722}
   (( segid "    " and resid 133  and name HG3 ))
   (( segid "    " and resid 133  and name HN  ))
 ASSI { 3723}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 133  and name HE21))
      3.300     1.300     1.300 peak  3723 spectrum    1 weight  0.10000E+01 volume  0.86033E-03 ppm1      1.781 ppm2      6.674 CV     1
 OR { 3723}
   (( segid "    " and resid 133  and name HG3 ))
   (( segid "    " and resid 133  and name HE21))
 ASSI { 3724}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 133  and name HE22))
      3.400     1.500     1.500 peak  3724 spectrum    1 weight  0.10000E+01 volume  0.17476E-02 ppm1      1.781 ppm2      6.005 CV     1
 OR { 3724}
   (( segid "    " and resid 133  and name HG3 ))
   (( segid "    " and resid 133  and name HE22))
 ASSI { 3725}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 133  and name HA  ))
      2.900     1.100     1.100 peak  3725 spectrum    1 weight  0.10000E+01 volume  0.34731E-02 ppm1      1.778 ppm2      3.911 CV     1
 OR { 3725}
   (( segid "    " and resid 133  and name HG3 ))
   (( segid "    " and resid 133  and name HA  ))
 ASSI { 3727}
   (( segid "    " and resid 133  and name HG3 ))
   (( segid "    " and resid 69   and name HD3 ))
      3.700     1.700     1.700 peak  3727 spectrum    1 weight  0.10000E+01 volume  0.77541E-03 ppm1      1.778 ppm2      3.379 CV     1
 OR { 3727}
   (( segid "    " and resid 133  and name HG3 ))
   (( segid "    " and resid 69   and name HD2 ))
 OR { 3727}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 69   and name HD3 ))
 ASSI { 3729}
   (( segid "    " and resid 133  and name HG3 ))
   (( segid "    " and resid 137  and name HB  ))
      2.300     2.300     3.700 peak  3729 spectrum    1 weight  0.10000E+01 volume  0.85211E-02 ppm1      1.781 ppm2      2.083 CV     1
 OR { 3729}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 137  and name HB  ))
 ASSI { 3740}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HB2 ))
      2.200     0.600     0.600 peak  3740 spectrum    1 weight  0.10000E+01 volume  0.10576E-01 ppm1      3.914 ppm2      1.786 CV     1
 OR { 3740}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HB3 ))
 OR { 3740}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HG3 ))
 ASSI { 3743}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 69   and name HG3 ))
      3.500     1.600     1.600 peak  3743 spectrum    1 weight  0.10000E+01 volume  0.19209E-02 ppm1      3.913 ppm2      0.820 CV     1
 OR { 3743}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
 ASSI { 3745}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
      3.400     1.400     1.400 peak  3745 spectrum    1 weight  0.10000E+01 volume  0.89705E-03 ppm1      3.912 ppm2      4.705 CV     1
 ASSI { 3748}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HN  ))
      2.400     0.700     0.700 peak  3748 spectrum    1 weight  0.10000E+01 volume  0.55396E-02 ppm1      4.200 ppm2      7.400 CV     1
 ASSI { 3750}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HB3 ))
      2.300     0.600     0.600 peak  3750 spectrum    1 weight  0.10000E+01 volume  0.11093E-01 ppm1      4.190 ppm2      1.984 CV     1
 OR { 3750}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HB2 ))
 ASSI { 3751}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB3 ))
      2.100     0.600     0.600 peak  3751 spectrum    1 weight  0.10000E+01 volume  0.90293E-02 ppm1      4.199 ppm2      1.840 CV     1
 OR { 3751}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB2 ))
 ASSI { 3752}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HG3 ))
      2.900     1.100     1.100 peak  3752 spectrum    1 weight  0.10000E+01 volume  0.27593E-02 ppm1      4.200 ppm2      1.633 CV     1
 OR { 3752}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI { 3756}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HG3 ))
      2.800     1.000     1.000 peak  3756 spectrum    1 weight  0.10000E+01 volume  0.34149E-02 ppm1      4.202 ppm2      2.230 CV     1
 OR { 3756}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HG2 ))
 ASSI { 3758}
   (( segid "    " and resid 134  and name HA  ))
   (  segid "    " and resid 137  and name HG1%)
      3.200     1.300     1.300 peak  3758 spectrum    1 weight  0.10000E+01 volume  0.13603E-02 ppm1      4.196 ppm2      0.888 CV     1
 OR { 3758}
   (( segid "    " and resid 134  and name HA  ))
   (  segid "    " and resid 137  and name HG2%)
 ASSI { 3760}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak  3760 spectrum    1 weight  0.10000E+01 volume  0.17585E-02 ppm1      1.844 ppm2      7.456 CV     1
 OR { 3760}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 3761}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HN  ))
      2.300     0.600     0.600 peak  3761 spectrum    1 weight  0.10000E+01 volume  0.45954E-02 ppm1      1.802 ppm2      7.403 CV     1
 OR { 3761}
   (( segid "    " and resid 134  and name HB3 ))
   (( segid "    " and resid 134  and name HN  ))
 ASSI { 3762}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      4.200     2.200     1.800 peak  3762 spectrum    1 weight  0.10000E+01 volume  0.11013E-02 ppm1      1.860 ppm2      7.973 CV     1
 OR { 3762}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI { 3781}
   (( segid "    " and resid 134  and name HG3 ))
   (( segid "    " and resid 134  and name HN  ))
      4.100     2.100     1.900 peak  3781 spectrum    1 weight  0.10000E+01 volume  0.85959E-03 ppm1      1.631 ppm2      7.402 CV     1
 OR { 3781}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HN  ))
 ASSI { 3784}
   (( segid "    " and resid 134  and name HG3 ))
   (( segid "    " and resid 134  and name HE2 ))
      2.600     0.800     0.800 peak  3784 spectrum    1 weight  0.10000E+01 volume  0.54442E-02 ppm1      1.632 ppm2      2.932 CV     1
 OR { 3784}
   (( segid "    " and resid 134  and name HG3 ))
   (( segid "    " and resid 134  and name HE3 ))
 OR { 3784}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HE2 ))
 ASSI { 3788}
   (( segid "    " and resid 134  and name HG2 ))
   (  segid "    " and resid 131  and name HG2%)
      4.300     2.300     1.700 peak  3788 spectrum    1 weight  0.10000E+01 volume  0.65432E-03 ppm1      1.629 ppm2      0.990 CV     1
 OR { 3788}
   (( segid "    " and resid 134  and name HG3 ))
   (  segid "    " and resid 131  and name HG2%)
 OR { 3788}
   (( segid "    " and resid 134  and name HG3 ))
   (  segid "    " and resid 131  and name HD1%)
 ASSI { 3790}
   (( segid "    " and resid 134  and name HE2 ))
   (  segid "    " and resid 131  and name HG2%)
      3.400     1.500     1.500 peak  3790 spectrum    1 weight  0.10000E+01 volume  0.63717E-03 ppm1      2.926 ppm2      0.988 CV     1
 OR { 3790}
   (( segid "    " and resid 134  and name HE3 ))
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 3791}
   (( segid "    " and resid 134  and name HE2 ))
   (( segid "    " and resid 134  and name HD3 ))
      2.600     0.900     0.900 peak  3791 spectrum    1 weight  0.10000E+01 volume  0.24365E-02 ppm1      2.931 ppm2      1.430 CV     1
 OR { 3791}
   (( segid "    " and resid 134  and name HE3 ))
   (( segid "    " and resid 134  and name HD2 ))
 OR { 3791}
   (( segid "    " and resid 134  and name HE3 ))
   (( segid "    " and resid 134  and name HD3 ))
 ASSI { 3792}
   (( segid "    " and resid 134  and name HE3 ))
   (( segid "    " and resid 50   and name HD2 ))
      2.100     2.100     3.900 peak  3792 spectrum    1 weight  0.10000E+01 volume  0.21928E-02 ppm1      2.930 ppm2      1.530 CV     1
 OR { 3792}
   (( segid "    " and resid 134  and name HE2 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR { 3792}
   (( segid "    " and resid 134  and name HE3 ))
   (( segid "    " and resid 50   and name HD3 ))
 OR { 3792}
   (( segid "    " and resid 134  and name HE2 ))
   (( segid "    " and resid 50   and name HD3 ))
 ASSI { 3793}
   (( segid "    " and resid 134  and name HE2 ))
   (( segid "    " and resid 134  and name HB2 ))
      4.000     2.000     2.000 peak  3793 spectrum    1 weight  0.10000E+01 volume  0.12510E-02 ppm1      2.930 ppm2      1.795 CV     1
 OR { 3793}
   (( segid "    " and resid 134  and name HE3 ))
   (( segid "    " and resid 134  and name HB3 ))
 OR { 3793}
   (( segid "    " and resid 134  and name HE2 ))
   (( segid "    " and resid 134  and name HB3 ))
 ASSI { 3797}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 135  and name HN  ))
      2.700     0.900     0.900 peak  3797 spectrum    1 weight  0.10000E+01 volume  0.26672E-02 ppm1      1.963 ppm2      7.981 CV     1
 OR { 3797}
   (( segid "    " and resid 135  and name HB3 ))
   (( segid "    " and resid 135  and name HN  ))
 ASSI { 3800}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 137  and name HB  ))
      1.900     1.900     4.100 peak  3800 spectrum    1 weight  0.10000E+01 volume  0.50136E-01 ppm1      1.952 ppm2      2.076 CV     1
 OR { 3800}
   (( segid "    " and resid 135  and name HB3 ))
   (( segid "    " and resid 137  and name HB  ))
 ASSI { 3801}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 135  and name HG2 ))
      2.300     0.600     0.600 peak  3801 spectrum    1 weight  0.10000E+01 volume  0.90258E-02 ppm1      1.954 ppm2      2.219 CV     1
 OR { 3801}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 135  and name HG3 ))
 OR { 3801}
   (( segid "    " and resid 135  and name HB3 ))
   (( segid "    " and resid 135  and name HG3 ))
 ASSI { 3809}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 137  and name HG2%)
      2.600     0.900     0.900 peak  3809 spectrum    1 weight  0.10000E+01 volume  0.49971E-02 ppm1      4.082 ppm2      0.914 CV     1
 OR { 3809}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 137  and name HG1%)
 ASSI { 3813}
   (( segid "    " and resid 137  and name HB  ))
   (( segid "    " and resid 137  and name HA  ))
      2.600     0.800     0.800 peak  3813 spectrum    1 weight  0.10000E+01 volume  0.38702E-02 ppm1      2.077 ppm2      4.080 CV     1
 ASSI { 3816}
   (  segid "    " and resid 137  and name HG1%)
   (( segid "    " and resid 137  and name HA  ))
      3.100     1.200     1.200 peak  3816 spectrum    1 weight  0.10000E+01 volume  0.30308E-02 ppm1      0.918 ppm2      4.083 CV     1
 ASSI { 3818}
   (  segid "    " and resid 137  and name HG1%)
   (( segid "    " and resid 137  and name HB  ))
      2.400     0.700     0.700 peak  3818 spectrum    1 weight  0.10000E+01 volume  0.51204E-02 ppm1      0.909 ppm2      2.080 CV     1
 ASSI { 3820}
   (  segid "    " and resid 137  and name HG2%)
   (( segid "    " and resid 134  and name HA  ))
      3.700     1.800     1.800 peak  3820 spectrum    1 weight  0.10000E+01 volume  0.96754E-03 ppm1      0.910 ppm2      4.197 CV     1
 ASSI { 3821}
   (  segid "    " and resid 137  and name HG2%)
   (( segid "    " and resid 137  and name HA  ))
      2.900     1.000     1.000 peak  3821 spectrum    1 weight  0.10000E+01 volume  0.26117E-02 ppm1      0.910 ppm2      4.078 CV     1
 ASSI { 3836}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 131  and name HG12))
      4.200     2.200     1.800 peak  3836 spectrum    1 weight  0.10000E+01 volume  0.74766E-03 ppm1      2.062 ppm2      1.251 CV     1
 OR { 3836}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 131  and name HG13))
 ASSI { 3837}
   (  segid "    " and resid 45   and name HE% )
   (  segid "    " and resid 121  and name HG2%)
      4.800     2.900     1.200 peak  3837 spectrum    1 weight  0.10000E+01 volume  0.66094E-03 ppm1      2.065 ppm2      1.101 CV     1
 ASSI { 3839}
   (  segid "    " and resid 45   and name HE% )
   (  segid "    " and resid 124  and name HG2%)
      3.800     1.800     1.800 peak  3839 spectrum    1 weight  0.10000E+01 volume  0.19301E-02 ppm1      2.065 ppm2      0.599 CV     1
 OR { 3839}
   (  segid "    " and resid 45   and name HE% )
   (  segid "    " and resid 124  and name HD1%)
 ASSI { 3843}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 124  and name HA  ))
      2.500     0.800     0.800 peak  3843 spectrum    1 weight  0.10000E+01 volume  0.12861E-02 ppm1      2.069 ppm2      3.921 CV     1
 ASSI { 3847}
   (  segid "    " and resid 45   and name HE% )
   (  segid "    " and resid 88   and name HD% )
      4.400     2.400     1.600 peak  3847 spectrum    1 weight  0.10000E+01 volume  0.84957E-03 ppm1      2.067 ppm2      7.167 CV     1
 ASSI { 3852}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 45   and name HA  ))
      3.500     1.500     1.500 peak  3852 spectrum    1 weight  0.10000E+01 volume  0.11637E-02 ppm1      2.550 ppm2      4.384 CV     1
 OR { 3852}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 3855}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 39   and name HB2 ))
      2.000     0.500     0.500 peak  3855 spectrum    1 weight  0.10000E+01 volume  0.19214E-01 ppm1      2.302 ppm2      1.994 CV     1
 OR { 3855}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR { 3855}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 39   and name HG3 ))
 OR { 3855}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 39   and name HB3 ))
 OR { 3855}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 39   and name HB3 ))
 ASSI { 3863}
   (( segid "    " and resid 100  and name HG2 ))
   (  segid "    " and resid 105  and name HD1%)
      3.500     1.600     1.600 peak  3863 spectrum    1 weight  0.10000E+01 volume  0.12251E-02 ppm1      2.220 ppm2      1.397 CV     1
 OR { 3863}
   (( segid "    " and resid 100  and name HG3 ))
   (  segid "    " and resid 105  and name HD1%)
 ASSI { 3867}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      2.800     1.000     1.000 peak  3867 spectrum    1 weight  0.10000E+01 volume  0.17478E-02 ppm1      1.856 ppm2      6.524 CV     1
 OR { 3867}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 56   and name HD% )
 ASSI { 3868}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 83   and name HH2 ))
      3.700     1.800     1.800 peak  3868 spectrum    1 weight  0.10000E+01 volume  0.73975E-03 ppm1      1.858 ppm2      7.150 CV     1
 OR { 3868}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 83   and name HH2 ))
 ASSI { 3869}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     0.800     0.800 peak  3869 spectrum    1 weight  0.10000E+01 volume  0.25024E-02 ppm1      1.856 ppm2      7.851 CV     1
 OR { 3869}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {   10}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      5.200     3.300     0.800 peak    10 spectrum    1 weight  0.10000E+01 volume  0.17465E-03 ppm1      8.276 ppm2      8.817 CV     1
 ASSI {   13}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 105  and name HD2%)
      6.000     5.800     0.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.12789E-03 ppm1      8.275 ppm2      1.273 CV     1
 ASSI {   18}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      4.400     2.500     1.600 peak    18 spectrum    1 weight  0.10000E+01 volume  0.42718E-03 ppm1      7.371 ppm2      7.566 CV     1
 ASSI {   20}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      5.100     3.300     0.900 peak    20 spectrum    1 weight  0.10000E+01 volume  0.19045E-03 ppm1      7.615 ppm2      8.992 CV     1
 ASSI {   21}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HG  ))
      6.000     4.800     0.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.11205E-03 ppm1      7.951 ppm2      1.629 CV     1
 ASSI {   24}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      5.000     3.100     1.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.11700E-03 ppm1      8.551 ppm2      4.398 CV     1
 ASSI {   27}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HB% )
      4.400     2.400     1.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.26628E-03 ppm1      8.442 ppm2      1.392 CV     1
 ASSI {   29}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.600     1.600     1.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.13317E-02 ppm1      8.223 ppm2      4.358 CV     1
 ASSI {   30}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HB% )
      4.600     2.600     1.400 peak    30 spectrum    1 weight  0.10000E+01 volume  0.24604E-03 ppm1      8.222 ppm2      1.395 CV     1
 ASSI {   31}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.500     1.500     1.500 peak    31 spectrum    1 weight  0.10000E+01 volume  0.10475E-02 ppm1      8.219 ppm2      4.588 CV     1
 ASSI {   35}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      5.600     3.900     0.400 peak    35 spectrum    1 weight  0.10000E+01 volume  0.14173E-03 ppm1      8.221 ppm2      0.929 CV     1
 ASSI {   36}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.900     1.900     1.900 peak    36 spectrum    1 weight  0.10000E+01 volume  0.56771E-03 ppm1      8.224 ppm2      7.916 CV     1
 ASSI {   44}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      5.000     3.100     1.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.24641E-03 ppm1      7.918 ppm2      8.421 CV     1
 ASSI {   47}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.41192E-02 ppm1      7.916 ppm2      4.588 CV     1
 ASSI {   51}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.900     1.100     1.100 peak    51 spectrum    1 weight  0.10000E+01 volume  0.21941E-02 ppm1      7.915 ppm2      4.399 CV     1
 ASSI {   53}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      3.300     1.400     1.400 peak    53 spectrum    1 weight  0.10000E+01 volume  0.17393E-02 ppm1      7.916 ppm2      0.935 CV     1
 OR {   53}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HG1%)
 ASSI {   69}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HG2 ))
      3.300     1.300     1.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.21354E-03 ppm1      8.203 ppm2      2.011 CV     1
 OR {   69}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HG3 ))
 ASSI {   70}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.300     1.400     1.400 peak    70 spectrum    1 weight  0.10000E+01 volume  0.12414E-02 ppm1      8.205 ppm2      4.319 CV     1
 ASSI {   73}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      4.600     2.600     1.400 peak    73 spectrum    1 weight  0.10000E+01 volume  0.44217E-03 ppm1      8.203 ppm2      0.925 CV     1
 OR {   73}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI {   75}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.400     3.400     2.600 peak    75 spectrum    1 weight  0.10000E+01 volume  0.16831E-03 ppm1      8.181 ppm2      1.866 CV     1
 OR {   75}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
 ASSI {   76}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      5.800     4.200     0.200 peak    76 spectrum    1 weight  0.10000E+01 volume  0.10238E-03 ppm1      8.183 ppm2      1.248 CV     1
 ASSI {   82}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.600     0.900     0.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.51792E-02 ppm1      8.179 ppm2      4.327 CV     1
 ASSI {   86}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 37   and name HD1%)
      4.500     2.600     1.500 peak    86 spectrum    1 weight  0.10000E+01 volume  0.42111E-03 ppm1      8.178 ppm2      0.934 CV     1
 ASSI {   87}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 37   and name HD2%)
      4.600     2.600     1.400 peak    87 spectrum    1 weight  0.10000E+01 volume  0.38848E-03 ppm1      8.177 ppm2      0.876 CV     1
 ASSI {   91}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 37   and name HD2%)
      5.400     3.700     0.600 peak    91 spectrum    1 weight  0.10000E+01 volume  0.19158E-03 ppm1      8.108 ppm2      0.891 CV     1
 OR {   91}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 37   and name HD1%)
 ASSI {  104}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      5.100     3.300     0.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.10371E-03 ppm1      8.307 ppm2      4.451 CV     1
 ASSI {  106}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      4.500     2.600     1.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.35981E-03 ppm1      8.358 ppm2      4.427 CV     1
 ASSI {  109}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      4.300     2.300     1.700 peak   109 spectrum    1 weight  0.10000E+01 volume  0.24534E-03 ppm1      8.352 ppm2      4.178 CV     1
 ASSI {  110}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.700     1.700     1.700 peak   110 spectrum    1 weight  0.10000E+01 volume  0.51911E-03 ppm1      8.356 ppm2      1.828 CV     1
 OR {  110}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
 ASSI {  119}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      3.000     1.100     1.100 peak   119 spectrum    1 weight  0.10000E+01 volume  0.22107E-02 ppm1      8.304 ppm2      1.836 CV     1
 OR {  119}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  120}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.29950E-02 ppm1      8.306 ppm2      4.187 CV     1
 ASSI {  121}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.400     0.700     0.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.53686E-02 ppm1      8.306 ppm2      2.053 CV     1
 OR {  121}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
 ASSI {  122}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      4.100     2.100     1.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.16868E-02 ppm1      8.306 ppm2      2.299 CV     1
 OR {  122}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
 ASSI {  124}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.400     1.500     1.500 peak   124 spectrum    1 weight  0.10000E+01 volume  0.68568E-03 ppm1      8.307 ppm2      8.138 CV     1
 ASSI {  128}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      5.200     3.400     0.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.12035E-03 ppm1      8.130 ppm2      1.831 CV     1
 ASSI {  130}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.100     1.200     1.200 peak   130 spectrum    1 weight  0.10000E+01 volume  0.18784E-02 ppm1      8.135 ppm2      4.197 CV     1
 ASSI {  131}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      2.900     1.100     1.100 peak   131 spectrum    1 weight  0.10000E+01 volume  0.22634E-02 ppm1      8.137 ppm2      2.053 CV     1
 OR {  131}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  133}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.000     1.100     1.100 peak   133 spectrum    1 weight  0.10000E+01 volume  0.19825E-02 ppm1      8.135 ppm2      4.388 CV     1
 ASSI {  136}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HE% )
      2.900     1.100     1.100 peak   136 spectrum    1 weight  0.10000E+01 volume  0.36829E-02 ppm1      8.135 ppm2      2.116 CV     1
 ASSI {  140}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.300     1.400     1.400 peak   140 spectrum    1 weight  0.10000E+01 volume  0.10023E-02 ppm1      8.143 ppm2      8.250 CV     1
 ASSI {  141}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 48   and name HB% )
      5.500     3.800     0.500 peak   141 spectrum    1 weight  0.10000E+01 volume  0.17384E-03 ppm1      8.234 ppm2      1.477 CV     1
 ASSI {  143}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      6.000     4.600     0.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.12827E-03 ppm1      8.235 ppm2      3.990 CV     1
 OR {  143}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  146}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.400     0.700     0.700 peak   146 spectrum    1 weight  0.10000E+01 volume  0.29549E-02 ppm1      8.233 ppm2      4.382 CV     1
 ASSI {  151}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.200     2.200     1.800 peak   151 spectrum    1 weight  0.10000E+01 volume  0.36027E-03 ppm1      8.278 ppm2      8.150 CV     1
 ASSI {  152}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.800     1.800     1.800 peak   152 spectrum    1 weight  0.10000E+01 volume  0.10420E-02 ppm1      8.273 ppm2      2.135 CV     1
 OR {  152}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI {  153}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak   153 spectrum    1 weight  0.10000E+01 volume  0.13337E-02 ppm1      8.273 ppm2      4.305 CV     1
 ASSI {  157}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.600     1.600     1.600 peak   157 spectrum    1 weight  0.10000E+01 volume  0.72105E-03 ppm1      8.275 ppm2      4.309 CV     1
 ASSI {  159}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.800     1.800     1.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.49079E-03 ppm1      8.275 ppm2      4.183 CV     1
 ASSI {  161}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      3.300     1.400     1.400 peak   161 spectrum    1 weight  0.10000E+01 volume  0.47924E-03 ppm1      8.277 ppm2      2.467 CV     1
 OR {  161}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG3 ))
 ASSI {  164}
   (( segid "    " and resid 47   and name HE21))
   (( segid "    " and resid 43   and name HG3 ))
      4.200     2.200     1.800 peak   164 spectrum    1 weight  0.10000E+01 volume  0.15107E-03 ppm1      7.542 ppm2      2.295 CV     1
 ASSI {  165}
   (( segid "    " and resid 47   and name HE21))
   (( segid "    " and resid 47   and name HB3 ))
      4.900     3.100     1.100 peak   165 spectrum    1 weight  0.10000E+01 volume  0.14681E-03 ppm1      7.543 ppm2      2.122 CV     1
 OR {  165}
   (( segid "    " and resid 47   and name HE21))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI {  167}
   (( segid "    " and resid 47   and name HE22))
   (( segid "    " and resid 43   and name HG3 ))
      4.800     2.900     1.200 peak   167 spectrum    1 weight  0.10000E+01 volume  0.13208E-03 ppm1      6.855 ppm2      2.297 CV     1
 ASSI {  168}
   (( segid "    " and resid 47   and name HE22))
   (  segid "    " and resid 44   and name HE% )
      5.200     3.400     0.800 peak   168 spectrum    1 weight  0.10000E+01 volume  0.10453E-03 ppm1      6.856 ppm2      2.105 CV     1
 ASSI {  171}
   (( segid "    " and resid 47   and name HE22))
   (( segid "    " and resid 47   and name HE21))
      1.600     0.300     0.600 peak   171 spectrum    1 weight  0.10000E+01 volume  0.33967E-01 ppm1      6.854 ppm2      7.541 CV     1
 ASSI {  178}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HG  ))
      5.700     4.000     0.300 peak   178 spectrum    1 weight  0.10000E+01 volume  0.24217E-03 ppm1      8.099 ppm2      1.681 CV     1
 ASSI {  179}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      5.500     3.800     0.500 peak   179 spectrum    1 weight  0.10000E+01 volume  0.11938E-03 ppm1      8.098 ppm2      1.913 CV     1
 OR {  179}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI {  182}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      5.700     4.100     0.300 peak   182 spectrum    1 weight  0.10000E+01 volume  0.23285E-03 ppm1      8.098 ppm2      4.009 CV     1
 OR {  182}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  183}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.300     2.300     1.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.36038E-03 ppm1      8.097 ppm2      8.229 CV     1
 ASSI {  184}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.400     1.500     1.500 peak   184 spectrum    1 weight  0.10000E+01 volume  0.14863E-02 ppm1      8.101 ppm2      4.181 CV     1
 ASSI {  185}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.700     1.700     1.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.19289E-02 ppm1      8.097 ppm2      2.142 CV     1
 OR {  185}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI {  186}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG3 ))
      3.700     1.700     1.700 peak   186 spectrum    1 weight  0.10000E+01 volume  0.31839E-03 ppm1      8.097 ppm2      2.469 CV     1
 OR {  186}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI {  187}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.800     1.800     1.800 peak   187 spectrum    1 weight  0.10000E+01 volume  0.36146E-03 ppm1      8.098 ppm2      8.279 CV     1
 ASSI {  188}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.000     1.100     1.100 peak   188 spectrum    1 weight  0.10000E+01 volume  0.20569E-02 ppm1      8.097 ppm2      4.257 CV     1
 ASSI {  189}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HB% )
      2.400     0.700     0.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.56760E-02 ppm1      8.097 ppm2      1.476 CV     1
 ASSI {  191}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.300     1.400     1.400 peak   191 spectrum    1 weight  0.10000E+01 volume  0.14204E-02 ppm1      8.097 ppm2      8.010 CV     1
 ASSI {  192}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      5.300     3.500     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.18980E-03 ppm1      8.031 ppm2      0.997 CV     1
 ASSI {  193}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      4.600     2.600     1.400 peak   193 spectrum    1 weight  0.10000E+01 volume  0.35799E-03 ppm1      8.029 ppm2      2.130 CV     1
 OR {  193}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI {  194}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      5.000     3.200     1.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.37515E-03 ppm1      8.031 ppm2      1.915 CV     1
 OR {  194}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI {  196}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.500     1.500 peak   196 spectrum    1 weight  0.10000E+01 volume  0.23837E-03 ppm1      8.032 ppm2      4.374 CV     1
 ASSI {  200}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HD2 ))
      3.400     1.400     1.400 peak   200 spectrum    1 weight  0.10000E+01 volume  0.41547E-02 ppm1      8.029 ppm2      1.518 CV     1
 OR {  200}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HD3 ))
 ASSI {  201}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      5.200     3.400     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.10549E-03 ppm1      8.028 ppm2      8.306 CV     1
 ASSI {  202}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.100     1.200     1.200 peak   202 spectrum    1 weight  0.10000E+01 volume  0.27091E-02 ppm1      8.030 ppm2      4.265 CV     1
 ASSI {  203}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HB% )
      2.600     0.800     0.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.41553E-02 ppm1      8.030 ppm2      1.463 CV     1
 ASSI {  204}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.400     0.700     0.700 peak   204 spectrum    1 weight  0.10000E+01 volume  0.30230E-02 ppm1      8.030 ppm2      4.138 CV     1
 ASSI {  206}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
      4.100     2.100     1.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.14978E-02 ppm1      8.030 ppm2      0.888 CV     1
 OR {  206}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HD2%)
 ASSI {  211}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      4.400     2.400     1.600 peak   211 spectrum    1 weight  0.10000E+01 volume  0.38864E-03 ppm1      7.994 ppm2      4.263 CV     1
 ASSI {  212}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.23223E-02 ppm1      7.995 ppm2      4.147 CV     1
 ASSI {  215}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HD2%)
      4.500     2.500     1.500 peak   215 spectrum    1 weight  0.10000E+01 volume  0.52646E-03 ppm1      7.990 ppm2      0.878 CV     1
 ASSI {  221}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      5.500     3.800     0.500 peak   221 spectrum    1 weight  0.10000E+01 volume  0.14012E-03 ppm1      7.996 ppm2      7.102 CV     1
 ASSI {  225}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.200     1.300     1.300 peak   225 spectrum    1 weight  0.10000E+01 volume  0.13777E-02 ppm1      8.046 ppm2      4.069 CV     1
 ASSI {  226}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.100     1.200     1.200 peak   226 spectrum    1 weight  0.10000E+01 volume  0.15180E-02 ppm1      8.045 ppm2      1.912 CV     1
 OR {  226}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI {  229}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HB% )
      2.700     0.900     0.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.44862E-02 ppm1      8.046 ppm2      1.445 CV     1
 ASSI {  231}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      5.500     3.800     0.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.16274E-03 ppm1      8.051 ppm2      1.003 CV     1
 ASSI {  232}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.300     1.300 peak   232 spectrum    1 weight  0.10000E+01 volume  0.90586E-03 ppm1      8.045 ppm2      7.947 CV     1
 ASSI {  234}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 49   and name HD2%)
      5.800     4.200     0.200 peak   234 spectrum    1 weight  0.10000E+01 volume  0.18546E-03 ppm1      7.952 ppm2      0.882 CV     1
 OR {  234}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
 ASSI {  235}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      4.600     2.600     1.400 peak   235 spectrum    1 weight  0.10000E+01 volume  0.20177E-03 ppm1      7.951 ppm2      1.919 CV     1
 ASSI {  236}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
      5.700     4.000     0.300 peak   236 spectrum    1 weight  0.10000E+01 volume  0.12457E-03 ppm1      7.952 ppm2      1.565 CV     1
 OR {  236}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI {  241}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.31736E-02 ppm1      7.946 ppm2      4.172 CV     1
 ASSI {  245}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      5.600     3.900     0.400 peak   245 spectrum    1 weight  0.10000E+01 volume  0.20791E-03 ppm1      7.947 ppm2      7.121 CV     1
 ASSI {  246}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.400     1.400     1.400 peak   246 spectrum    1 weight  0.10000E+01 volume  0.79281E-03 ppm1      7.946 ppm2      8.372 CV     1
 ASSI {  247}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 49   and name HD2%)
      5.600     3.900     0.400 peak   247 spectrum    1 weight  0.10000E+01 volume  0.18239E-03 ppm1      8.379 ppm2      0.892 CV     1
 OR {  247}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
 ASSI {  248}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      5.600     3.900     0.400 peak   248 spectrum    1 weight  0.10000E+01 volume  0.19544E-03 ppm1      8.377 ppm2      4.439 CV     1
 ASSI {  249}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      4.200     2.200     1.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.31858E-03 ppm1      8.377 ppm2      4.304 CV     1
 ASSI {  250}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.500     1.600     1.600 peak   250 spectrum    1 weight  0.10000E+01 volume  0.70373E-03 ppm1      8.377 ppm2      4.084 CV     1
 ASSI {  255}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      4.900     3.000     1.100 peak   255 spectrum    1 weight  0.10000E+01 volume  0.10992E-03 ppm1      8.377 ppm2      1.902 CV     1
 ASSI {  256}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 51   and name HB% )
      3.000     3.000     3.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.35935E-03 ppm1      8.378 ppm2      1.447 CV     1
 ASSI {  257}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      5.100     3.200     0.900 peak   257 spectrum    1 weight  0.10000E+01 volume  0.16452E-03 ppm1      8.378 ppm2      8.049 CV     1
 ASSI {  258}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.900     1.000     1.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.34623E-02 ppm1      8.377 ppm2      4.159 CV     1
 ASSI {  264}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      3.400     1.500     1.500 peak   264 spectrum    1 weight  0.10000E+01 volume  0.13569E-02 ppm1      8.378 ppm2      7.109 CV     1
 ASSI {  266}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      4.000     2.000     2.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.33677E-03 ppm1      8.378 ppm2      8.193 CV     1
 ASSI {  268}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      4.800     2.900     1.200 peak   268 spectrum    1 weight  0.10000E+01 volume  0.15943E-03 ppm1      8.205 ppm2      4.327 CV     1
 ASSI {  269}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      4.000     2.000     2.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.16550E-02 ppm1      8.207 ppm2      4.147 CV     1
 ASSI {  270}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      5.800     4.200     0.200 peak   270 spectrum    1 weight  0.10000E+01 volume  0.12166E-03 ppm1      8.203 ppm2      1.003 CV     1
 ASSI {  271}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      5.600     3.900     0.400 peak   271 spectrum    1 weight  0.10000E+01 volume  0.13366E-03 ppm1      8.203 ppm2      7.974 CV     1
 ASSI {  272}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      4.100     2.100     1.900 peak   272 spectrum    1 weight  0.10000E+01 volume  0.27620E-03 ppm1      8.208 ppm2      4.928 CV     1
 ASSI {  275}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      6.000     5.100     0.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.11223E-03 ppm1      8.210 ppm2      7.108 CV     1
 ASSI {  279}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      4.300     2.300     1.700 peak   279 spectrum    1 weight  0.10000E+01 volume  0.21260E-03 ppm1      8.209 ppm2      8.984 CV     1
 ASSI {  280}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      5.100     3.300     0.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.16940E-03 ppm1      8.208 ppm2      7.626 CV     1
 ASSI {  281}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      5.900     4.400     0.100 peak   281 spectrum    1 weight  0.10000E+01 volume  0.12523E-03 ppm1      8.986 ppm2      1.006 CV     1
 ASSI {  282}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      4.300     2.400     1.700 peak   282 spectrum    1 weight  0.10000E+01 volume  0.24931E-03 ppm1      8.988 ppm2      4.922 CV     1
 ASSI {  287}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      6.000     4.900     0.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.12296E-03 ppm1      8.991 ppm2      3.494 CV     1
 ASSI {  290}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.500     1.500     1.500 peak   290 spectrum    1 weight  0.10000E+01 volume  0.12385E-02 ppm1      8.988 ppm2      7.852 CV     1
 ASSI {  292}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      4.100     2.100     1.900 peak   292 spectrum    1 weight  0.10000E+01 volume  0.40713E-03 ppm1      8.987 ppm2      7.382 CV     1
 ASSI {  293}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 83   and name HE1 ))
      6.000     6.000     0.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.11468E-03 ppm1      8.987 ppm2     10.277 CV     1
 ASSI {  294}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 83   and name HH2 ))
      4.800     2.800     1.200 peak   294 spectrum    1 weight  0.10000E+01 volume  0.18284E-03 ppm1      8.986 ppm2      7.156 CV     1
 ASSI {  298}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 83   and name HH2 ))
      3.600     1.600     1.600 peak   298 spectrum    1 weight  0.10000E+01 volume  0.85117E-03 ppm1      7.853 ppm2      7.160 CV     1
 ASSI {  301}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.800     1.800     1.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.53478E-03 ppm1      7.852 ppm2      4.923 CV     1
 ASSI {  303}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      5.900     4.400     0.100 peak   303 spectrum    1 weight  0.10000E+01 volume  0.13288E-03 ppm1      7.851 ppm2      8.367 CV     1
 ASSI {  305}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.800     1.800     1.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.16461E-02 ppm1      7.853 ppm2      4.185 CV     1
 OR {  305}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
 ASSI {  306}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      5.800     4.200     0.200 peak   306 spectrum    1 weight  0.10000E+01 volume  0.13540E-03 ppm1      7.851 ppm2      8.193 CV     1
 ASSI {  308}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.800     1.000     1.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.26511E-02 ppm1      7.849 ppm2      3.485 CV     1
 ASSI {  311}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HD% )
      4.700     2.700     1.300 peak   311 spectrum    1 weight  0.10000E+01 volume  0.68254E-03 ppm1      7.852 ppm2      6.521 CV     1
 ASSI {  313}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.600     0.800     0.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.32430E-02 ppm1      7.852 ppm2      7.612 CV     1
 ASSI {  314}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.200     1.300     1.300 peak   314 spectrum    1 weight  0.10000E+01 volume  0.17857E-02 ppm1      7.851 ppm2      7.379 CV     1
 ASSI {  315}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.700     2.700     1.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.28378E-03 ppm1      7.851 ppm2      6.969 CV     1
 ASSI {  316}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 83   and name HE1 ))
      4.300     2.300     1.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.27953E-03 ppm1      7.853 ppm2     10.272 CV     1
 ASSI {  317}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 132  and name HD2%)
      5.400     3.600     0.600 peak   317 spectrum    1 weight  0.10000E+01 volume  0.15878E-03 ppm1      7.612 ppm2      0.884 CV     1
 ASSI {  318}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 60   and name HG3 ))
      6.000     4.500     0.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.15202E-03 ppm1      7.614 ppm2      1.390 CV     1
 OR {  318}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  320}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      4.400     2.500     1.600 peak   320 spectrum    1 weight  0.10000E+01 volume  0.53182E-03 ppm1      7.615 ppm2      1.557 CV     1
 OR {  320}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI {  321}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HB3 ))
      4.800     2.800     1.200 peak   321 spectrum    1 weight  0.10000E+01 volume  0.52659E-03 ppm1      7.616 ppm2      1.939 CV     1
 OR {  321}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
 ASSI {  326}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      4.700     2.700     1.300 peak   326 spectrum    1 weight  0.10000E+01 volume  0.99521E-04 ppm1      7.614 ppm2      4.931 CV     1
 ASSI {  331}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HD% )
      4.200     2.200     1.800 peak   331 spectrum    1 weight  0.10000E+01 volume  0.32915E-03 ppm1      7.614 ppm2      6.515 CV     1
 ASSI {  332}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HE% )
      5.600     3.900     0.400 peak   332 spectrum    1 weight  0.10000E+01 volume  0.22000E-03 ppm1      7.616 ppm2      7.095 CV     1
 ASSI {  338}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.900     0.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.32867E-02 ppm1      7.615 ppm2      7.393 CV     1
 ASSI {  339}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.300     2.300     1.700 peak   339 spectrum    1 weight  0.10000E+01 volume  0.56120E-03 ppm1      7.616 ppm2      6.966 CV     1
 ASSI {  340}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.700     2.800     1.300 peak   340 spectrum    1 weight  0.10000E+01 volume  0.27530E-03 ppm1      7.614 ppm2      8.254 CV     1
 ASSI {  344}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      2.300     0.600     0.600 peak   344 spectrum    1 weight  0.10000E+01 volume  0.89000E-02 ppm1      7.392 ppm2      4.180 CV     1
 ASSI {  345}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
      3.900     1.900     1.900 peak   345 spectrum    1 weight  0.10000E+01 volume  0.13978E-02 ppm1      7.394 ppm2      1.275 CV     1
 ASSI {  348}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB3 ))
      2.300     0.600     0.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.87152E-02 ppm1      7.394 ppm2      1.942 CV     1
 OR {  348}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
 ASSI {  349}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HE3 ))
      6.000     5.000     0.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.12028E-03 ppm1      7.392 ppm2      3.057 CV     1
 OR {  349}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HE2 ))
 ASSI {  351}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.400     0.700     0.700 peak   351 spectrum    1 weight  0.10000E+01 volume  0.41542E-02 ppm1      7.394 ppm2      6.969 CV     1
 ASSI {  352}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HG3 ))
      5.800     4.200     0.200 peak   352 spectrum    1 weight  0.10000E+01 volume  0.34338E-03 ppm1      6.970 ppm2      1.381 CV     1
 OR {  352}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  353}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 63   and name HD1%)
      5.900     4.300     0.100 peak   353 spectrum    1 weight  0.10000E+01 volume  0.24994E-03 ppm1      6.971 ppm2      0.866 CV     1
 OR {  353}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
 ASSI {  355}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      5.300     3.500     0.700 peak   355 spectrum    1 weight  0.10000E+01 volume  0.23704E-03 ppm1      6.969 ppm2      2.071 CV     1
 OR {  355}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  357}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      5.300     3.500     0.700 peak   357 spectrum    1 weight  0.10000E+01 volume  0.30972E-03 ppm1      6.971 ppm2      3.341 CV     1
 ASSI {  362}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.100     1.200     1.200 peak   362 spectrum    1 weight  0.10000E+01 volume  0.14285E-02 ppm1      6.970 ppm2      3.490 CV     1
 ASSI {  364}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      2.900     2.900     3.100 peak   364 spectrum    1 weight  0.10000E+01 volume  0.40290E-03 ppm1      6.969 ppm2      4.184 CV     1
 ASSI {  365}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
      5.300     3.600     0.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.26564E-03 ppm1      6.970 ppm2      1.272 CV     1
 ASSI {  369}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HD3 ))
      2.400     2.400     3.600 peak   369 spectrum    1 weight  0.10000E+01 volume  0.15091E-02 ppm1      6.970 ppm2      1.558 CV     1
 OR {  369}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HD2 ))
 ASSI {  372}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.300     0.600     0.600 peak   372 spectrum    1 weight  0.10000E+01 volume  0.73352E-02 ppm1      6.970 ppm2      1.700 CV     1
 OR {  372}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  375}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.200     0.600     0.600 peak   375 spectrum    1 weight  0.10000E+01 volume  0.55258E-02 ppm1      6.970 ppm2      8.252 CV     1
 ASSI {  376}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      4.600     2.600     1.400 peak   376 spectrum    1 weight  0.10000E+01 volume  0.42881E-03 ppm1      6.971 ppm2      7.874 CV     1
 ASSI {  379}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.700     2.800     1.300 peak   379 spectrum    1 weight  0.10000E+01 volume  0.58283E-03 ppm1      8.250 ppm2      2.076 CV     1
 OR {  379}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  380}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 63   and name HD1%)
      5.400     3.600     0.600 peak   380 spectrum    1 weight  0.10000E+01 volume  0.24786E-03 ppm1      8.251 ppm2      0.863 CV     1
 OR {  380}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
 ASSI {  381}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      5.300     3.500     0.700 peak   381 spectrum    1 weight  0.10000E+01 volume  0.33907E-03 ppm1      8.251 ppm2      3.983 CV     1
 ASSI {  382}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 56   and name HE% )
      5.300     3.500     0.700 peak   382 spectrum    1 weight  0.10000E+01 volume  0.26679E-03 ppm1      8.250 ppm2      7.087 CV     1
 ASSI {  388}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 56   and name HD% )
      5.100     3.200     0.900 peak   388 spectrum    1 weight  0.10000E+01 volume  0.19535E-03 ppm1      8.251 ppm2      6.516 CV     1
 ASSI {  390}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      3.300     3.300     2.700 peak   390 spectrum    1 weight  0.10000E+01 volume  0.20029E-03 ppm1      8.254 ppm2      4.188 CV     1
 ASSI {  391}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
      4.500     2.500     1.500 peak   391 spectrum    1 weight  0.10000E+01 volume  0.71246E-03 ppm1      8.251 ppm2      1.247 CV     1
 ASSI {  393}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HB3 ))
      4.200     2.200     1.800 peak   393 spectrum    1 weight  0.10000E+01 volume  0.65695E-03 ppm1      8.251 ppm2      1.944 CV     1
 ASSI {  404}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.400     0.700     0.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.42810E-02 ppm1      8.251 ppm2      7.373 CV     1
 ASSI {  405}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.900     1.900     1.900 peak   405 spectrum    1 weight  0.10000E+01 volume  0.57201E-03 ppm1      8.251 ppm2      7.880 CV     1
 ASSI {  406}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      4.800     2.900     1.200 peak   406 spectrum    1 weight  0.10000E+01 volume  0.46922E-03 ppm1      8.251 ppm2      0.641 CV     1
 ASSI {  408}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 65   and name HG2%)
      6.000     5.000     0.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.18331E-03 ppm1      8.250 ppm2      0.310 CV     1
 ASSI {  409}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 67   and name HB3 ))
      4.800     2.900     1.200 peak   409 spectrum    1 weight  0.10000E+01 volume  0.53751E-03 ppm1      6.931 ppm2      1.774 CV     1
 OR {  409}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  410}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 65   and name HB  ))
      4.600     2.700     1.400 peak   410 spectrum    1 weight  0.10000E+01 volume  0.30316E-03 ppm1      6.930 ppm2      1.245 CV     1
 ASSI {  412}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 71   and name HE22))
      4.500     2.500     1.500 peak   412 spectrum    1 weight  0.10000E+01 volume  0.25309E-03 ppm1      6.931 ppm2      6.812 CV     1
 ASSI {  413}
   (( segid "    " and resid 60   and name HE21))
   (  segid "    " and resid 56   and name HD% )
      5.100     3.200     0.900 peak   413 spectrum    1 weight  0.10000E+01 volume  0.34756E-03 ppm1      6.931 ppm2      6.501 CV     1
 ASSI {  415}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 65   and name HB  ))
      5.600     3.900     0.400 peak   415 spectrum    1 weight  0.10000E+01 volume  0.28696E-03 ppm1      6.379 ppm2      1.230 CV     1
 ASSI {  417}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 71   and name HE22))
      4.500     2.500     1.500 peak   417 spectrum    1 weight  0.10000E+01 volume  0.23421E-03 ppm1      6.375 ppm2      6.821 CV     1
 ASSI {  418}
   (( segid "    " and resid 60   and name HE22))
   (  segid "    " and resid 56   and name HD% )
      4.700     2.800     1.300 peak   418 spectrum    1 weight  0.10000E+01 volume  0.37181E-03 ppm1      6.376 ppm2      6.499 CV     1
 ASSI {  419}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 80   and name HD1 ))
      6.000     5.800     0.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.94272E-04 ppm1      6.373 ppm2      6.021 CV     1
 ASSI {  420}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 67   and name HB3 ))
      4.900     3.000     1.100 peak   420 spectrum    1 weight  0.10000E+01 volume  0.38753E-03 ppm1      6.378 ppm2      1.763 CV     1
 OR {  420}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  423}
   (( segid "    " and resid 60   and name HE21))
   (  segid "    " and resid 56   and name HE% )
      3.600     1.600     1.600 peak   423 spectrum    1 weight  0.10000E+01 volume  0.84000E-03 ppm1      6.930 ppm2      7.045 CV     1
 ASSI {  425}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 60   and name HA  ))
      6.000     6.000     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.11992E-03 ppm1      6.373 ppm2      3.349 CV     1
 ASSI {  429}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 60   and name HE21))
      1.400     0.300     0.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.21817E-01 ppm1      6.376 ppm2      6.932 CV     1
 ASSI {  437}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 61   and name HE21))
      5.400     3.700     0.600 peak   437 spectrum    1 weight  0.10000E+01 volume  0.12427E-03 ppm1      6.932 ppm2      7.363 CV     1
 ASSI {  438}
   (( segid "    " and resid 60   and name HE22))
   (  segid "    " and resid 65   and name HD1%)
      6.000     6.000     0.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.13453E-03 ppm1      6.377 ppm2      0.641 CV     1
 ASSI {  439}
   (( segid "    " and resid 60   and name HE21))
   (  segid "    " and resid 65   and name HG2%)
      3.200     1.300     1.300 peak   439 spectrum    1 weight  0.10000E+01 volume  0.83799E-03 ppm1      6.930 ppm2      0.311 CV     1
 ASSI {  440}
   (( segid "    " and resid 60   and name HE22))
   (  segid "    " and resid 65   and name HG2%)
      4.600     2.700     1.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.12193E-02 ppm1      6.376 ppm2      0.310 CV     1
 ASSI {  444}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 72   and name HZ3 ))
      6.000     4.800     0.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.12371E-03 ppm1      6.371 ppm2      6.176 CV     1
 ASSI {  445}
   (( segid "    " and resid 60   and name HE21))
   (  segid "    " and resid 132  and name HD1%)
      6.000     5.200     0.000 peak   445 spectrum    1 weight  0.10000E+01 volume  0.19954E-03 ppm1      6.931 ppm2     -0.088 CV     1
 ASSI {  446}
   (( segid "    " and resid 60   and name HE22))
   (  segid "    " and resid 132  and name HD1%)
      5.600     3.900     0.400 peak   446 spectrum    1 weight  0.10000E+01 volume  0.20677E-03 ppm1      6.376 ppm2     -0.084 CV     1
 ASSI {  447}
   (( segid "    " and resid 60   and name HE21))
   (  segid "    " and resid 132  and name HD2%)
      4.300     2.300     1.700 peak   447 spectrum    1 weight  0.10000E+01 volume  0.96123E-03 ppm1      6.930 ppm2      0.889 CV     1
 ASSI {  448}
   (( segid "    " and resid 60   and name HE22))
   (  segid "    " and resid 132  and name HD2%)
      3.400     1.500     1.500 peak   448 spectrum    1 weight  0.10000E+01 volume  0.64766E-03 ppm1      6.376 ppm2      0.888 CV     1
 ASSI {  449}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 63   and name HD1%)
      6.000     5.200     0.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.10230E-03 ppm1      7.369 ppm2      0.849 CV     1
 OR {  449}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
 ASSI {  452}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 56   and name HE% )
      6.000     5.800     0.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.10674E-03 ppm1      7.366 ppm2      7.090 CV     1
 ASSI {  453}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
      4.400     2.500     1.600 peak   453 spectrum    1 weight  0.10000E+01 volume  0.48014E-03 ppm1      7.371 ppm2      1.265 CV     1
 ASSI {  454}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak   454 spectrum    1 weight  0.10000E+01 volume  0.20197E-02 ppm1      7.371 ppm2      4.068 CV     1
 ASSI {  455}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 58   and name HB3 ))
      2.600     2.600     3.400 peak   455 spectrum    1 weight  0.10000E+01 volume  0.89648E-03 ppm1      7.371 ppm2      1.934 CV     1
 OR {  455}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
 ASSI {  456}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      4.300     2.300     1.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.39341E-03 ppm1      7.371 ppm2      4.453 CV     1
 ASSI {  457}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      5.300     3.600     0.700 peak   457 spectrum    1 weight  0.10000E+01 volume  0.35029E-03 ppm1      7.371 ppm2      1.692 CV     1
 OR {  457}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  458}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.400     2.500     1.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.53784E-03 ppm1      7.369 ppm2      6.979 CV     1
 ASSI {  459}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.600     1.600     1.600 peak   459 spectrum    1 weight  0.10000E+01 volume  0.85846E-03 ppm1      7.371 ppm2      3.339 CV     1
 ASSI {  464}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.600     0.900     0.900 peak   464 spectrum    1 weight  0.10000E+01 volume  0.44680E-02 ppm1      7.371 ppm2      3.978 CV     1
 ASSI {  469}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.400     0.700     0.700 peak   469 spectrum    1 weight  0.10000E+01 volume  0.45214E-02 ppm1      7.371 ppm2      7.879 CV     1
 ASSI {  470}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      4.400     2.400     1.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.45426E-03 ppm1      7.370 ppm2      8.039 CV     1
 ASSI {  471}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      6.000     4.800     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.13136E-03 ppm1      7.373 ppm2      0.637 CV     1
 ASSI {  474}
   (( segid "    " and resid 61   and name HE21))
   (( segid "    " and resid 57   and name HA  ))
      5.300     3.600     0.700 peak   474 spectrum    1 weight  0.10000E+01 volume  0.11435E-03 ppm1      7.362 ppm2      4.068 CV     1
 ASSI {  475}
   (( segid "    " and resid 61   and name HE21))
   (  segid "    " and resid 57   and name HG2%)
      3.900     1.900     1.900 peak   475 spectrum    1 weight  0.10000E+01 volume  0.44426E-03 ppm1      7.362 ppm2      1.274 CV     1
 ASSI {  476}
   (( segid "    " and resid 61   and name HE22))
   (  segid "    " and resid 57   and name HG2%)
      4.200     2.200     1.800 peak   476 spectrum    1 weight  0.10000E+01 volume  0.48643E-03 ppm1      6.739 ppm2      1.274 CV     1
 ASSI {  477}
   (( segid "    " and resid 61   and name HE21))
   (( segid "    " and resid 61   and name HA  ))
      5.100     3.300     0.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.10261E-03 ppm1      7.360 ppm2      4.020 CV     1
 ASSI {  478}
   (( segid "    " and resid 61   and name HE21))
   (( segid "    " and resid 61   and name HB2 ))
      5.900     4.300     0.100 peak   478 spectrum    1 weight  0.10000E+01 volume  0.11891E-03 ppm1      7.361 ppm2      2.080 CV     1
 OR {  478}
   (( segid "    " and resid 61   and name HE21))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  479}
   (( segid "    " and resid 61   and name HE22))
   (( segid "    " and resid 61   and name HB3 ))
      6.000     5.000     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.12925E-03 ppm1      6.739 ppm2      2.072 CV     1
 OR {  479}
   (( segid "    " and resid 61   and name HE22))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {  482}
   (( segid "    " and resid 61   and name HE21))
   (( segid "    " and resid 61   and name HE22))
      1.700     0.300     0.500 peak   482 spectrum    1 weight  0.10000E+01 volume  0.22408E-01 ppm1      7.363 ppm2      6.741 CV     1
 ASSI {  490}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 63   and name HD1%)
      5.200     3.400     0.800 peak   490 spectrum    1 weight  0.10000E+01 volume  0.41577E-03 ppm1      7.879 ppm2      0.851 CV     1
 OR {  490}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
 ASSI {  491}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      6.000     4.900     0.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.10858E-03 ppm1      7.882 ppm2      0.627 CV     1
 ASSI {  493}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.600     2.600     3.400 peak   493 spectrum    1 weight  0.10000E+01 volume  0.91266E-03 ppm1      7.880 ppm2      4.065 CV     1
 ASSI {  496}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      4.100     2.100     1.900 peak   496 spectrum    1 weight  0.10000E+01 volume  0.37444E-03 ppm1      7.880 ppm2      3.356 CV     1
 ASSI {  498}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   498 spectrum    1 weight  0.10000E+01 volume  0.57226E-02 ppm1      7.880 ppm2      3.981 CV     1
 ASSI {  503}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.200     0.600     0.600 peak   503 spectrum    1 weight  0.10000E+01 volume  0.84035E-02 ppm1      7.880 ppm2      1.918 CV     1
 OR {  503}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI {  508}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      5.300     3.500     0.700 peak   508 spectrum    1 weight  0.10000E+01 volume  0.28341E-03 ppm1      7.880 ppm2      4.369 CV     1
 ASSI {  509}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.500     0.800     0.800 peak   509 spectrum    1 weight  0.10000E+01 volume  0.38894E-02 ppm1      7.880 ppm2      8.035 CV     1
 ASSI {  515}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HG3 ))
      4.000     2.000     2.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.11308E-02 ppm1      8.039 ppm2      1.425 CV     1
 OR {  515}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HG2 ))
 ASSI {  516}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 59   and name HG3 ))
      4.300     2.400     1.700 peak   516 spectrum    1 weight  0.10000E+01 volume  0.27969E-03 ppm1      8.039 ppm2      2.316 CV     1
 OR {  516}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI {  517}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.000     3.000     3.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.43900E-03 ppm1      8.039 ppm2      2.069 CV     1
 OR {  517}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  518}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HE  ))
      3.100     3.100     2.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.32934E-03 ppm1      8.039 ppm2      8.167 CV     1
 ASSI {  522}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.700     2.700     1.300 peak   522 spectrum    1 weight  0.10000E+01 volume  0.20611E-03 ppm1      8.039 ppm2      8.250 CV     1
 ASSI {  523}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.500     1.600     1.600 peak   523 spectrum    1 weight  0.10000E+01 volume  0.12943E-02 ppm1      8.039 ppm2      3.981 CV     1
 ASSI {  525}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      2.600     0.900     0.900 peak   525 spectrum    1 weight  0.10000E+01 volume  0.28370E-02 ppm1      8.039 ppm2      1.932 CV     1
 OR {  525}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  532}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
      3.700     1.700     1.700 peak   532 spectrum    1 weight  0.10000E+01 volume  0.25113E-02 ppm1      8.039 ppm2      0.849 CV     1
 ASSI {  537}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 65   and name HB  ))
      5.100     3.300     0.900 peak   537 spectrum    1 weight  0.10000E+01 volume  0.19624E-03 ppm1      8.038 ppm2      1.235 CV     1
 ASSI {  538}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      5.000     3.100     1.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.51109E-03 ppm1      8.039 ppm2      0.642 CV     1
 ASSI {  539}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 65   and name HG2%)
      6.000     5.500     0.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.11822E-03 ppm1      8.040 ppm2      0.312 CV     1
 ASSI {  545}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      5.300     3.500     0.700 peak   545 spectrum    1 weight  0.10000E+01 volume  0.24764E-03 ppm1      7.542 ppm2      3.503 CV     1
 ASSI {  547}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 59   and name HG3 ))
      4.900     3.000     1.100 peak   547 spectrum    1 weight  0.10000E+01 volume  0.14812E-03 ppm1      7.543 ppm2      2.309 CV     1
 ASSI {  549}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      4.100     2.100     1.900 peak   549 spectrum    1 weight  0.10000E+01 volume  0.67316E-03 ppm1      7.543 ppm2      3.339 CV     1
 ASSI {  550}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.100     1.200     1.200 peak   550 spectrum    1 weight  0.10000E+01 volume  0.20938E-02 ppm1      7.543 ppm2      3.966 CV     1
 ASSI {  551}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
      3.100     3.100     2.900 peak   551 spectrum    1 weight  0.10000E+01 volume  0.30048E-03 ppm1      7.543 ppm2      2.072 CV     1
 OR {  551}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {  552}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      4.300     2.300     1.700 peak   552 spectrum    1 weight  0.10000E+01 volume  0.35577E-03 ppm1      7.544 ppm2      1.930 CV     1
 ASSI {  553}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.700     1.700     1.700 peak   553 spectrum    1 weight  0.10000E+01 volume  0.76368E-03 ppm1      7.544 ppm2      7.894 CV     1
 ASSI {  557}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
      2.700     2.700     3.300 peak   557 spectrum    1 weight  0.10000E+01 volume  0.73040E-03 ppm1      7.543 ppm2      0.846 CV     1
 ASSI {  558}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.400     0.700     0.700 peak   558 spectrum    1 weight  0.10000E+01 volume  0.55789E-02 ppm1      7.543 ppm2      8.038 CV     1
 ASSI {  562}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HB  ))
      4.900     3.000     1.100 peak   562 spectrum    1 weight  0.10000E+01 volume  0.45602E-03 ppm1      7.542 ppm2      1.227 CV     1
 ASSI {  563}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      5.600     3.900     0.400 peak   563 spectrum    1 weight  0.10000E+01 volume  0.34850E-03 ppm1      7.543 ppm2      0.647 CV     1
 ASSI {  565}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 65   and name HG2%)
      6.000     5.400     0.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.12005E-03 ppm1      7.542 ppm2      0.311 CV     1
 ASSI {  566}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.800     0.800 peak   566 spectrum    1 weight  0.10000E+01 volume  0.44407E-02 ppm1      7.543 ppm2      7.820 CV     1
 ASSI {  567}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD3 ))
      5.700     4.100     0.300 peak   567 spectrum    1 weight  0.10000E+01 volume  0.19558E-03 ppm1      7.818 ppm2      2.679 CV     1
 OR {  567}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI {  568}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.800     1.800     1.800 peak   568 spectrum    1 weight  0.10000E+01 volume  0.46751E-03 ppm1      7.816 ppm2      3.963 CV     1
 ASSI {  573}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 60   and name HE21))
      6.000     4.800     0.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.13688E-03 ppm1      7.817 ppm2      6.934 CV     1
 ASSI {  575}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      5.100     3.300     0.900 peak   575 spectrum    1 weight  0.10000E+01 volume  0.19241E-03 ppm1      7.819 ppm2      4.374 CV     1
 ASSI {  577}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
      2.900     2.900     3.100 peak   577 spectrum    1 weight  0.10000E+01 volume  0.42236E-03 ppm1      7.817 ppm2      0.845 CV     1
 ASSI {  578}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      3.800     1.800     1.800 peak   578 spectrum    1 weight  0.10000E+01 volume  0.57058E-03 ppm1      7.817 ppm2      8.035 CV     1
 ASSI {  582}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.900     1.100     1.100 peak   582 spectrum    1 weight  0.10000E+01 volume  0.18179E-02 ppm1      7.822 ppm2      3.495 CV     1
 ASSI {  593}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HD3 ))
      5.600     3.900     0.400 peak   593 spectrum    1 weight  0.10000E+01 volume  0.23026E-03 ppm1      8.394 ppm2      2.714 CV     1
 OR {  593}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI {  594}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 113  and name HE% )
      5.800     4.300     0.200 peak   594 spectrum    1 weight  0.10000E+01 volume  0.17972E-03 ppm1      8.397 ppm2      7.778 CV     1
 ASSI {  595}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 60   and name HE21))
      4.700     2.700     1.300 peak   595 spectrum    1 weight  0.10000E+01 volume  0.21688E-03 ppm1      8.392 ppm2      6.932 CV     1
 ASSI {  596}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 60   and name HE22))
      5.100     3.300     0.900 peak   596 spectrum    1 weight  0.10000E+01 volume  0.26955E-03 ppm1      8.393 ppm2      6.372 CV     1
 ASSI {  604}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG3 ))
      3.700     1.700     1.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.58752E-03 ppm1      8.389 ppm2      1.654 CV     1
 OR {  604}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {  606}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.000     1.100     1.100 peak   606 spectrum    1 weight  0.10000E+01 volume  0.21560E-02 ppm1      8.394 ppm2      7.468 CV     1
 ASSI {  607}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 72   and name HE1 ))
      5.100     3.200     0.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.15952E-03 ppm1      8.394 ppm2      9.953 CV     1
 ASSI {  609}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HE2 ))
      3.800     1.800     1.800 peak   609 spectrum    1 weight  0.10000E+01 volume  0.96844E-04 ppm1      7.469 ppm2      2.981 CV     1
 OR {  609}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HE3 ))
 ASSI {  610}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
      4.800     2.900     1.200 peak   610 spectrum    1 weight  0.10000E+01 volume  0.77991E-03 ppm1      7.468 ppm2      2.042 CV     1
 OR {  610}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  614}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HE22))
      4.900     3.000     1.100 peak   614 spectrum    1 weight  0.10000E+01 volume  0.11582E-03 ppm1      7.468 ppm2      6.803 CV     1
 ASSI {  620}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      4.200     2.200     1.800 peak   620 spectrum    1 weight  0.10000E+01 volume  0.43808E-03 ppm1      7.468 ppm2      1.661 CV     1
 OR {  620}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG3 ))
 ASSI {  622}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.700     0.900     0.900 peak   622 spectrum    1 weight  0.10000E+01 volume  0.30102E-02 ppm1      7.468 ppm2      4.702 CV     1
 ASSI {  626}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      5.300     3.500     0.700 peak   626 spectrum    1 weight  0.10000E+01 volume  0.11466E-03 ppm1      7.461 ppm2      1.197 CV     1
 ASSI {  629}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      5.400     3.700     0.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.30693E-03 ppm1      7.468 ppm2      7.975 CV     1
 ASSI {  631}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 72   and name HD1 ))
      4.900     3.000     1.100 peak   631 spectrum    1 weight  0.10000E+01 volume  0.31536E-03 ppm1      7.467 ppm2      6.360 CV     1
 ASSI {  632}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 72   and name HE1 ))
      3.900     1.900     1.900 peak   632 spectrum    1 weight  0.10000E+01 volume  0.36596E-03 ppm1      7.468 ppm2      9.956 CV     1
 ASSI {  633}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HG3 ))
      4.600     2.600     1.400 peak   633 spectrum    1 weight  0.10000E+01 volume  0.67600E-03 ppm1      7.970 ppm2      2.306 CV     1
 OR {  633}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
 ASSI {  635}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
      4.700     2.800     1.300 peak   635 spectrum    1 weight  0.10000E+01 volume  0.43030E-03 ppm1      7.969 ppm2      2.052 CV     1
 OR {  635}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  636}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
      5.100     3.200     0.900 peak   636 spectrum    1 weight  0.10000E+01 volume  0.28454E-03 ppm1      7.969 ppm2      2.669 CV     1
 OR {  636}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 106  and name HB3 ))
 ASSI {  637}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
      3.500     3.500     2.500 peak   637 spectrum    1 weight  0.10000E+01 volume  0.39710E-02 ppm1      7.970 ppm2      1.626 CV     1
 ASSI {  639}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 133  and name HB3 ))
      3.600     1.700     1.700 peak   639 spectrum    1 weight  0.10000E+01 volume  0.25956E-02 ppm1      7.969 ppm2      1.787 CV     1
 OR {  639}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 133  and name HB2 ))
 OR {  639}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 133  and name HG3 ))
 OR {  639}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 133  and name HG2 ))
 ASSI {  641}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      5.100     3.300     0.900 peak   641 spectrum    1 weight  0.10000E+01 volume  0.29181E-03 ppm1      7.971 ppm2      4.435 CV     1
 ASSI {  642}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HE  ))
      4.500     2.500     1.500 peak   642 spectrum    1 weight  0.10000E+01 volume  0.62288E-03 ppm1      7.969 ppm2      7.854 CV     1
 ASSI {  643}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.10739E-03 ppm1      7.963 ppm2      8.272 CV     1
 ASSI {  658}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.300     0.700     0.700 peak   658 spectrum    1 weight  0.10000E+01 volume  0.45680E-02 ppm1      7.970 ppm2      8.141 CV     1
 ASSI {  660}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      4.400     2.400     1.600 peak   660 spectrum    1 weight  0.10000E+01 volume  0.70300E-03 ppm1      7.970 ppm2      7.627 CV     1
 ASSI {  669}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 70   and name HD2 ))
      4.300     2.300     1.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.15366E-03 ppm1      7.873 ppm2      3.450 CV     1
 OR {  669}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 70   and name HD3 ))
 ASSI {  673}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 105  and name HB3 ))
      4.500     2.500     1.500 peak   673 spectrum    1 weight  0.10000E+01 volume  0.64140E-03 ppm1      8.140 ppm2      1.792 CV     1
 OR {  673}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
 ASSI {  675}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
      5.600     3.900     0.400 peak   675 spectrum    1 weight  0.10000E+01 volume  0.17156E-03 ppm1      8.141 ppm2      3.729 CV     1
 OR {  675}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
 ASSI {  681}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      5.700     4.100     0.300 peak   681 spectrum    1 weight  0.10000E+01 volume  0.23347E-03 ppm1      8.138 ppm2      7.472 CV     1
 ASSI {  685}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HD2 ))
      3.900     1.900     1.900 peak   685 spectrum    1 weight  0.10000E+01 volume  0.13731E-02 ppm1      8.140 ppm2      3.447 CV     1
 OR {  685}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HD3 ))
 ASSI {  687}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.600     0.800     0.800 peak   687 spectrum    1 weight  0.10000E+01 volume  0.31772E-02 ppm1      8.134 ppm2      4.447 CV     1
 ASSI {  695}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      1.800     0.400     0.400 peak   695 spectrum    1 weight  0.10000E+01 volume  0.50998E-02 ppm1      8.140 ppm2      7.628 CV     1
 ASSI {  696}
   (( segid "    " and resid 71   and name HE21))
   (( segid "    " and resid 105  and name HB3 ))
      5.600     3.900     0.400 peak   696 spectrum    1 weight  0.10000E+01 volume  0.18352E-03 ppm1      7.602 ppm2      1.773 CV     1
 OR {  696}
   (( segid "    " and resid 71   and name HE21))
   (( segid "    " and resid 105  and name HB2 ))
 ASSI {  698}
   (( segid "    " and resid 71   and name HE21))
   (  segid "    " and resid 77   and name HG2%)
      6.000     5.700     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.14085E-03 ppm1      7.601 ppm2      1.641 CV     1
 ASSI {  699}
   (( segid "    " and resid 71   and name HE22))
   (  segid "    " and resid 77   and name HG2%)
      6.000     5.800     0.000 peak   699 spectrum    1 weight  0.10000E+01 volume  0.10560E-03 ppm1      6.809 ppm2      1.647 CV     1
 ASSI {  701}
   (( segid "    " and resid 71   and name HE22))
   (( segid "    " and resid 105  and name HB3 ))
      5.100     3.300     0.900 peak   701 spectrum    1 weight  0.10000E+01 volume  0.12972E-03 ppm1      6.808 ppm2      1.781 CV     1
 OR {  701}
   (( segid "    " and resid 71   and name HE22))
   (( segid "    " and resid 105  and name HB2 ))
 ASSI {  702}
   (( segid "    " and resid 71   and name HE21))
   (( segid "    " and resid 70   and name HN  ))
      5.100     3.300     0.900 peak   702 spectrum    1 weight  0.10000E+01 volume  0.14122E-03 ppm1      7.603 ppm2      7.965 CV     1
 ASSI {  703}
   (( segid "    " and resid 71   and name HE22))
   (( segid "    " and resid 70   and name HN  ))
      3.600     1.700     1.700 peak   703 spectrum    1 weight  0.10000E+01 volume  0.12723E-03 ppm1      6.801 ppm2      7.959 CV     1
 ASSI {  704}
   (( segid "    " and resid 71   and name HE21))
   (( segid "    " and resid 71   and name HA  ))
      5.000     3.200     1.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.22648E-03 ppm1      7.603 ppm2      4.445 CV     1
 ASSI {  705}
   (( segid "    " and resid 71   and name HE22))
   (( segid "    " and resid 71   and name HA  ))
      6.000     4.700     0.000 peak   705 spectrum    1 weight  0.10000E+01 volume  0.15690E-03 ppm1      6.809 ppm2      4.439 CV     1
 ASSI {  711}
   (( segid "    " and resid 71   and name HE22))
   (( segid "    " and resid 71   and name HE21))
      1.300     0.200     0.900 peak   711 spectrum    1 weight  0.10000E+01 volume  0.43523E-01 ppm1      6.808 ppm2      7.604 CV     1
 ASSI {  716}
   (( segid "    " and resid 71   and name HE21))
   (( segid "    " and resid 71   and name HN  ))
      3.500     1.600     1.600 peak   716 spectrum    1 weight  0.10000E+01 volume  0.13933E-03 ppm1      7.605 ppm2      8.132 CV     1
 ASSI {  717}
   (( segid "    " and resid 71   and name HE22))
   (( segid "    " and resid 71   and name HN  ))
      3.900     1.900     1.900 peak   717 spectrum    1 weight  0.10000E+01 volume  0.14527E-03 ppm1      6.806 ppm2      8.126 CV     1
 ASSI {  718}
   (( segid "    " and resid 71   and name HE21))
   (( segid "    " and resid 72   and name HA  ))
      4.700     2.800     1.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.13876E-03 ppm1      7.604 ppm2      5.833 CV     1
 ASSI {  719}
   (( segid "    " and resid 71   and name HE22))
   (( segid "    " and resid 72   and name HA  ))
      5.600     3.900     0.400 peak   719 spectrum    1 weight  0.10000E+01 volume  0.16019E-03 ppm1      6.802 ppm2      5.851 CV     1
 ASSI {  723}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      4.300     2.300     1.700 peak   723 spectrum    1 weight  0.10000E+01 volume  0.78528E-03 ppm1      7.630 ppm2      8.841 CV     1
 ASSI {  726}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.000     1.100     1.100 peak   726 spectrum    1 weight  0.10000E+01 volume  0.18752E-02 ppm1      7.630 ppm2      1.201 CV     1
 ASSI {  730}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.100     1.100 peak   730 spectrum    1 weight  0.10000E+01 volume  0.17021E-02 ppm1      7.629 ppm2      4.446 CV     1
 ASSI {  733}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.600     1.600     1.600 peak   733 spectrum    1 weight  0.10000E+01 volume  0.87331E-03 ppm1      7.630 ppm2      2.303 CV     1
 ASSI {  735}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.500     0.800     0.800 peak   735 spectrum    1 weight  0.10000E+01 volume  0.21457E-02 ppm1      7.630 ppm2      5.812 CV     1
 ASSI {  738}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HD1 ))
      3.200     1.200     1.200 peak   738 spectrum    1 weight  0.10000E+01 volume  0.16818E-02 ppm1      7.630 ppm2      6.357 CV     1
 ASSI {  739}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HE1 ))
      4.500     2.500     1.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.32455E-03 ppm1      7.631 ppm2      9.952 CV     1
 ASSI {  740}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HE3 ))
      4.900     3.000     1.100 peak   740 spectrum    1 weight  0.10000E+01 volume  0.47363E-03 ppm1      7.630 ppm2      7.262 CV     1
 ASSI {  744}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      4.300     2.300     1.700 peak   744 spectrum    1 weight  0.10000E+01 volume  0.55537E-03 ppm1      7.630 ppm2     11.159 CV     1
 ASSI {  745}
   (( segid "    " and resid 72   and name HE1 ))
   (  segid "    " and resid 132  and name HD1%)
      5.700     4.100     0.300 peak   745 spectrum    1 weight  0.10000E+01 volume  0.21766E-03 ppm1      9.956 ppm2     -0.084 CV     1
 ASSI {  746}
   (( segid "    " and resid 72   and name HE1 ))
   (  segid "    " and resid 65   and name HG2%)
      1.800     0.400     0.400 peak   746 spectrum    1 weight  0.10000E+01 volume  0.53635E-02 ppm1      9.953 ppm2      0.310 CV     1
 ASSI {  747}
   (( segid "    " and resid 72   and name HE1 ))
   (  segid "    " and resid 65   and name HD1%)
      6.000     6.000     0.000 peak   747 spectrum    1 weight  0.10000E+01 volume  0.17873E-03 ppm1      9.952 ppm2      0.642 CV     1
 ASSI {  750}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 60   and name HG3 ))
      5.100     3.300     0.900 peak   750 spectrum    1 weight  0.10000E+01 volume  0.17542E-03 ppm1      9.951 ppm2      1.404 CV     1
 OR {  750}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  751}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 66   and name HD2 ))
      3.700     1.700     1.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.10340E-02 ppm1      9.953 ppm2      2.684 CV     1
 OR {  751}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 66   and name HD3 ))
 ASSI {  753}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 76   and name HB3 ))
      5.100     3.300     0.900 peak   753 spectrum    1 weight  0.10000E+01 volume  0.15208E-03 ppm1      9.954 ppm2      2.275 CV     1
 OR {  753}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI {  754}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 66   and name HG2 ))
      4.400     2.400     1.600 peak   754 spectrum    1 weight  0.10000E+01 volume  0.74379E-03 ppm1      9.952 ppm2      2.015 CV     1
 OR {  754}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {  756}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 69   and name HD3 ))
      5.000     3.100     1.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.16656E-03 ppm1      9.953 ppm2      3.408 CV     1
 OR {  756}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 69   and name HD2 ))
 ASSI {  757}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 67   and name HA  ))
      4.800     2.900     1.200 peak   757 spectrum    1 weight  0.10000E+01 volume  0.42683E-03 ppm1      9.954 ppm2      3.896 CV     1
 ASSI {  758}
   (( segid "    " and resid 72   and name HE1 ))
   (  segid "    " and resid 56   and name HE% )
      5.200     3.400     0.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.25806E-03 ppm1      9.953 ppm2      7.080 CV     1
 ASSI {  759}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 68   and name HA  ))
      4.500     2.600     1.500 peak   759 spectrum    1 weight  0.10000E+01 volume  0.21153E-03 ppm1      9.952 ppm2      4.711 CV     1
 ASSI {  769}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 72   and name HE3 ))
      4.300     2.300     1.700 peak   769 spectrum    1 weight  0.10000E+01 volume  0.18388E-03 ppm1      9.950 ppm2      7.245 CV     1
 ASSI {  770}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 72   and name HH2 ))
      4.000     2.000     2.000 peak   770 spectrum    1 weight  0.10000E+01 volume  0.89854E-03 ppm1      9.953 ppm2      5.808 CV     1
 ASSI {  772}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 72   and name HZ2 ))
      2.600     0.800     0.800 peak   772 spectrum    1 weight  0.10000E+01 volume  0.33802E-02 ppm1      9.953 ppm2      6.974 CV     1
 ASSI {  773}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     5.500     0.000 peak   773 spectrum    1 weight  0.10000E+01 volume  0.13597E-03 ppm1      9.954 ppm2     11.137 CV     1
 ASSI {  774}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 76   and name HA  ))
      5.800     4.100     0.200 peak   774 spectrum    1 weight  0.10000E+01 volume  0.29690E-03 ppm1      9.952 ppm2      4.285 CV     1
 ASSI {  777}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      5.700     4.100     0.300 peak   777 spectrum    1 weight  0.10000E+01 volume  0.18775E-03 ppm1     11.170 ppm2      4.263 CV     1
 ASSI {  778}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      5.700     4.000     0.300 peak   778 spectrum    1 weight  0.10000E+01 volume  0.20043E-03 ppm1     11.169 ppm2      2.686 CV     1
 OR {  778}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 66   and name HD3 ))
 ASSI {  780}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 66   and name HG2 ))
      5.500     3.800     0.500 peak   780 spectrum    1 weight  0.10000E+01 volume  0.22949E-03 ppm1     11.166 ppm2      2.001 CV     1
 OR {  780}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {  781}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
      4.800     2.900     1.200 peak   781 spectrum    1 weight  0.10000E+01 volume  0.30436E-03 ppm1     11.168 ppm2      1.600 CV     1
 ASSI {  782}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 65   and name HG2%)
      5.900     4.400     0.100 peak   782 spectrum    1 weight  0.10000E+01 volume  0.17401E-03 ppm1     11.173 ppm2      0.305 CV     1
 ASSI {  784}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.200     0.600     0.600 peak   784 spectrum    1 weight  0.10000E+01 volume  0.56949E-02 ppm1     11.168 ppm2      5.811 CV     1
 ASSI {  787}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HD1 ))
      4.200     2.200     1.800 peak   787 spectrum    1 weight  0.10000E+01 volume  0.68977E-03 ppm1     11.168 ppm2      6.356 CV     1
 ASSI {  788}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HE3 ))
      6.000     4.700     0.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.18185E-03 ppm1     11.168 ppm2      7.255 CV     1
 ASSI {  797}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.600     2.600     1.400 peak   797 spectrum    1 weight  0.10000E+01 volume  0.32845E-03 ppm1     11.168 ppm2      8.273 CV     1
 ASSI {  798}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 77   and name HB  ))
      5.200     3.300     0.800 peak   798 spectrum    1 weight  0.10000E+01 volume  0.21555E-03 ppm1      9.482 ppm2      2.692 CV     1
 ASSI {  799}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
      4.500     2.600     1.500 peak   799 spectrum    1 weight  0.10000E+01 volume  0.33606E-03 ppm1      9.482 ppm2      1.609 CV     1
 ASSI {  800}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.400     1.400     1.400 peak   800 spectrum    1 weight  0.10000E+01 volume  0.11232E-02 ppm1      9.483 ppm2      4.218 CV     1
 OR {  800}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
 ASSI {  801}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      5.000     3.100     1.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.22923E-03 ppm1      9.484 ppm2      8.834 CV     1
 ASSI {  806}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      2.100     0.500     0.500 peak   806 spectrum    1 weight  0.10000E+01 volume  0.10578E-01 ppm1      9.482 ppm2      4.765 CV     1
 ASSI {  808}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      4.700     2.700     1.300 peak   808 spectrum    1 weight  0.10000E+01 volume  0.29910E-03 ppm1      9.484 ppm2     11.172 CV     1
 ASSI {  810}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.700     0.900     0.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.38322E-02 ppm1      9.483 ppm2      2.023 CV     1
 OR {  810}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
 ASSI {  811}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG3 ))
      3.000     1.100     1.100 peak   811 spectrum    1 weight  0.10000E+01 volume  0.25853E-02 ppm1      9.483 ppm2      2.235 CV     1
 OR {  811}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {  813}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      5.900     4.300     0.100 peak   813 spectrum    1 weight  0.10000E+01 volume  0.15040E-03 ppm1      9.485 ppm2      3.902 CV     1
 ASSI {  814}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      5.500     3.800     0.500 peak   814 spectrum    1 weight  0.10000E+01 volume  0.28755E-03 ppm1      9.481 ppm2      3.748 CV     1
 ASSI {  815}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      6.000     5.300     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.15401E-03 ppm1      9.481 ppm2      1.158 CV     1
 ASSI {  817}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      4.800     2.900     1.200 peak   817 spectrum    1 weight  0.10000E+01 volume  0.28907E-03 ppm1      9.483 ppm2      7.029 CV     1
 ASSI {  818}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
      5.500     3.800     0.500 peak   818 spectrum    1 weight  0.10000E+01 volume  0.18223E-03 ppm1      7.764 ppm2      1.606 CV     1
 ASSI {  819}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 77   and name HB  ))
      5.400     3.700     0.600 peak   819 spectrum    1 weight  0.10000E+01 volume  0.14849E-03 ppm1      7.762 ppm2      2.699 CV     1
 ASSI {  820}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      5.700     4.100     0.300 peak   820 spectrum    1 weight  0.10000E+01 volume  0.18794E-03 ppm1      7.764 ppm2      4.277 CV     1
 ASSI {  824}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      4.700     2.800     1.300 peak   824 spectrum    1 weight  0.10000E+01 volume  0.76167E-03 ppm1      7.764 ppm2      1.451 CV     1
 ASSI {  825}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      5.300     3.500     0.700 peak   825 spectrum    1 weight  0.10000E+01 volume  0.16683E-03 ppm1      7.763 ppm2     11.166 CV     1
 ASSI {  826}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.700     1.700     1.700 peak   826 spectrum    1 weight  0.10000E+01 volume  0.64034E-03 ppm1      7.764 ppm2      4.431 CV     1
 ASSI {  828}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG3 ))
      3.900     1.900     1.900 peak   828 spectrum    1 weight  0.10000E+01 volume  0.90033E-03 ppm1      7.764 ppm2      2.245 CV     1
 OR {  828}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {  829}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.000     1.100     1.100 peak   829 spectrum    1 weight  0.10000E+01 volume  0.16185E-02 ppm1      7.763 ppm2      9.484 CV     1
 ASSI {  830}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   830 spectrum    1 weight  0.10000E+01 volume  0.17924E-02 ppm1      7.763 ppm2      3.904 CV     1
 ASSI {  834}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak   834 spectrum    1 weight  0.10000E+01 volume  0.27289E-02 ppm1      7.764 ppm2      7.028 CV     1
 ASSI {  835}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.400     2.400     1.600 peak   835 spectrum    1 weight  0.10000E+01 volume  0.49578E-03 ppm1      7.763 ppm2      8.276 CV     1
 ASSI {  836}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      5.700     4.000     0.300 peak   836 spectrum    1 weight  0.10000E+01 volume  0.11335E-03 ppm1      7.767 ppm2      8.439 CV     1
 ASSI {  837}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      6.000     4.700     0.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.11126E-03 ppm1      7.027 ppm2      0.650 CV     1
 ASSI {  838}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 65   and name HG2%)
      5.400     3.700     0.600 peak   838 spectrum    1 weight  0.10000E+01 volume  0.25304E-03 ppm1      7.028 ppm2      0.308 CV     1
 ASSI {  841}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      5.300     3.500     0.700 peak   841 spectrum    1 weight  0.10000E+01 volume  0.26361E-03 ppm1      7.029 ppm2      4.084 CV     1
 ASSI {  845}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      5.400     3.700     0.600 peak   845 spectrum    1 weight  0.10000E+01 volume  0.38696E-03 ppm1      7.029 ppm2      5.817 CV     1
 ASSI {  848}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      3.300     1.400     1.400 peak   848 spectrum    1 weight  0.10000E+01 volume  0.11045E-02 ppm1      7.029 ppm2     11.168 CV     1
 ASSI {  849}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      4.200     2.200     1.800 peak   849 spectrum    1 weight  0.10000E+01 volume  0.40883E-03 ppm1      7.029 ppm2      4.429 CV     1
 ASSI {  858}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HD2 ))
      3.800     1.800     1.800 peak   858 spectrum    1 weight  0.10000E+01 volume  0.72896E-03 ppm1      7.029 ppm2      7.238 CV     1
 ASSI {  860}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.400     0.700     0.700 peak   860 spectrum    1 weight  0.10000E+01 volume  0.37691E-02 ppm1      7.029 ppm2      8.275 CV     1
 ASSI {  862}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      4.700     2.700     1.300 peak   862 spectrum    1 weight  0.10000E+01 volume  0.20219E-03 ppm1      7.030 ppm2      8.452 CV     1
 ASSI {  864}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      5.400     3.600     0.600 peak   864 spectrum    1 weight  0.10000E+01 volume  0.29140E-03 ppm1      8.275 ppm2      5.808 CV     1
 ASSI {  865}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     6.000     0.000 peak   865 spectrum    1 weight  0.10000E+01 volume  0.14477E-03 ppm1      8.275 ppm2      7.624 CV     1
 ASSI {  866}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 72   and name HZ3 ))
      6.000     5.600     0.000 peak   866 spectrum    1 weight  0.10000E+01 volume  0.11360E-03 ppm1      8.275 ppm2      6.144 CV     1
 ASSI {  868}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.100     1.200     1.200 peak   868 spectrum    1 weight  0.10000E+01 volume  0.17187E-02 ppm1      8.275 ppm2      4.425 CV     1
 ASSI {  869}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      5.000     3.100     1.000 peak   869 spectrum    1 weight  0.10000E+01 volume  0.17212E-03 ppm1      8.276 ppm2      9.487 CV     1
 ASSI {  870}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      2.400     2.400     3.600 peak   870 spectrum    1 weight  0.10000E+01 volume  0.14229E-02 ppm1      8.275 ppm2      3.729 CV     1
 ASSI {  871}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      5.700     4.000     0.300 peak   871 spectrum    1 weight  0.10000E+01 volume  0.13579E-03 ppm1      8.276 ppm2      1.163 CV     1
 ASSI {  878}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HG1%)
      3.700     1.800     1.800 peak   878 spectrum    1 weight  0.10000E+01 volume  0.19864E-02 ppm1      8.274 ppm2      1.707 CV     1
 ASSI {  881}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.800     0.800 peak   881 spectrum    1 weight  0.10000E+01 volume  0.33124E-02 ppm1      8.276 ppm2      7.830 CV     1
 ASSI {  882}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.600     1.600     1.600 peak   882 spectrum    1 weight  0.10000E+01 volume  0.76270E-03 ppm1      8.275 ppm2      8.464 CV     1
 ASSI {  883}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 80   and name HE3 ))
      5.400     3.600     0.600 peak   883 spectrum    1 weight  0.10000E+01 volume  0.22139E-03 ppm1      8.273 ppm2      8.075 CV     1
 ASSI {  884}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 81   and name HB  ))
      5.400     3.600     0.600 peak   884 spectrum    1 weight  0.10000E+01 volume  0.25203E-03 ppm1      7.834 ppm2      1.893 CV     1
 ASSI {  885}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 81   and name HG2%)
      4.600     2.700     1.400 peak   885 spectrum    1 weight  0.10000E+01 volume  0.38488E-03 ppm1      7.833 ppm2      0.362 CV     1
 OR {  885}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
 ASSI {  887}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      6.000     4.800     0.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.12671E-03 ppm1      7.829 ppm2      2.504 CV     1
 OR {  887}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  894}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      3.100     3.100     2.900 peak   894 spectrum    1 weight  0.10000E+01 volume  0.32227E-03 ppm1      7.832 ppm2      3.755 CV     1
 ASSI {  895}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      5.000     3.100     1.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.31728E-03 ppm1      7.833 ppm2      1.154 CV     1
 ASSI {  896}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      4.600     2.600     1.400 peak   896 spectrum    1 weight  0.10000E+01 volume  0.25787E-03 ppm1      7.834 ppm2      4.275 CV     1
 ASSI {  898}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      4.200     2.200     1.800 peak   898 spectrum    1 weight  0.10000E+01 volume  0.37149E-03 ppm1      7.832 ppm2      7.027 CV     1
 ASSI {  910}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      5.000     3.100     1.000 peak   910 spectrum    1 weight  0.10000E+01 volume  0.19785E-03 ppm1      7.827 ppm2      8.682 CV     1
 ASSI {  917}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      5.500     3.800     0.500 peak   917 spectrum    1 weight  0.10000E+01 volume  0.15461E-03 ppm1      8.449 ppm2      8.136 CV     1
 ASSI {  920}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 81   and name HB  ))
      5.000     3.100     1.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.22335E-03 ppm1      8.442 ppm2      1.863 CV     1
 ASSI {  922}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      4.600     2.700     1.400 peak   922 spectrum    1 weight  0.10000E+01 volume  0.49843E-03 ppm1      8.444 ppm2      0.643 CV     1
 ASSI {  923}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 81   and name HG2%)
      5.100     3.300     0.900 peak   923 spectrum    1 weight  0.10000E+01 volume  0.26715E-03 ppm1      8.445 ppm2      0.360 CV     1
 OR {  923}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
 ASSI {  924}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      2.900     2.900     3.100 peak   924 spectrum    1 weight  0.10000E+01 volume  0.44263E-03 ppm1      8.443 ppm2      3.762 CV     1
 ASSI {  926}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.400     1.400     1.400 peak   926 spectrum    1 weight  0.10000E+01 volume  0.13116E-02 ppm1      8.443 ppm2      4.282 CV     1
 ASSI {  930}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.100     2.100     1.900 peak   930 spectrum    1 weight  0.10000E+01 volume  0.33379E-03 ppm1      8.444 ppm2      4.085 CV     1
 ASSI {  931}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HB  ))
      4.900     3.000     1.100 peak   931 spectrum    1 weight  0.10000E+01 volume  0.39119E-03 ppm1      8.443 ppm2      2.717 CV     1
 ASSI {  932}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 77   and name HG1%)
      4.200     2.200     1.800 peak   932 spectrum    1 weight  0.10000E+01 volume  0.61012E-03 ppm1      8.443 ppm2      1.711 CV     1
 ASSI {  934}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.200     1.300     1.300 peak   934 spectrum    1 weight  0.10000E+01 volume  0.12332E-02 ppm1      8.443 ppm2      3.954 CV     1
 ASSI {  937}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HD2 ))
      5.100     3.300     0.900 peak   937 spectrum    1 weight  0.10000E+01 volume  0.45721E-03 ppm1      8.444 ppm2      3.156 CV     1
 OR {  937}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HD3 ))
 ASSI {  939}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.800     0.800 peak   939 spectrum    1 weight  0.10000E+01 volume  0.33926E-02 ppm1      8.443 ppm2      7.830 CV     1
 ASSI {  940}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.900     1.000     1.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.30907E-02 ppm1      8.443 ppm2      4.455 CV     1
 ASSI {  944}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      3.900     1.900     1.900 peak   944 spectrum    1 weight  0.10000E+01 volume  0.55480E-03 ppm1      8.443 ppm2      8.694 CV     1
 ASSI {  945}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      4.900     3.000     1.100 peak   945 spectrum    1 weight  0.10000E+01 volume  0.21172E-03 ppm1      8.444 ppm2      8.839 CV     1
 ASSI {  946}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 132  and name HD2%)
      6.000     4.800     0.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.14933E-03 ppm1      8.491 ppm2      0.865 CV     1
 ASSI {  947}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HB  ))
      5.200     3.400     0.800 peak   947 spectrum    1 weight  0.10000E+01 volume  0.28048E-03 ppm1      8.487 ppm2      1.868 CV     1
 ASSI {  950}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.700     1.700     1.700 peak   950 spectrum    1 weight  0.10000E+01 volume  0.85575E-03 ppm1      8.489 ppm2      4.449 CV     1
 ASSI {  951}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      2.700     2.700     3.300 peak   951 spectrum    1 weight  0.10000E+01 volume  0.73246E-03 ppm1      8.489 ppm2      0.642 CV     1
 ASSI {  952}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 72   and name HE3 ))
      5.400     3.600     0.600 peak   952 spectrum    1 weight  0.10000E+01 volume  0.16189E-03 ppm1      8.488 ppm2      7.245 CV     1
 ASSI {  953}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 72   and name HH2 ))
      6.000     4.500     0.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.13208E-03 ppm1      8.488 ppm2      5.800 CV     1
 ASSI {  955}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 72   and name HZ3 ))
      5.100     3.300     0.900 peak   955 spectrum    1 weight  0.10000E+01 volume  0.27262E-03 ppm1      8.489 ppm2      6.136 CV     1
 ASSI {  956}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      4.200     2.300     1.800 peak   956 spectrum    1 weight  0.10000E+01 volume  0.35739E-03 ppm1      8.487 ppm2      4.285 CV     1
 ASSI {  958}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak   958 spectrum    1 weight  0.10000E+01 volume  0.13095E-02 ppm1      8.488 ppm2      4.082 CV     1
 ASSI {  959}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 77   and name HG1%)
      4.600     2.700     1.400 peak   959 spectrum    1 weight  0.10000E+01 volume  0.38956E-03 ppm1      8.488 ppm2      1.696 CV     1
 ASSI {  960}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
      5.400     3.600     0.600 peak   960 spectrum    1 weight  0.10000E+01 volume  0.21356E-03 ppm1      8.485 ppm2      1.606 CV     1
 ASSI {  961}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.400     3.400     2.600 peak   961 spectrum    1 weight  0.10000E+01 volume  0.18262E-03 ppm1      8.488 ppm2      8.281 CV     1
 ASSI {  962}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      4.600     2.600     1.400 peak   962 spectrum    1 weight  0.10000E+01 volume  0.41997E-03 ppm1      8.487 ppm2      3.967 CV     1
 ASSI {  965}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      4.300     2.300     1.700 peak   965 spectrum    1 weight  0.10000E+01 volume  0.42469E-03 ppm1      8.487 ppm2      7.829 CV     1
 ASSI {  968}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.900     1.000     1.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.22748E-02 ppm1      8.488 ppm2      4.530 CV     1
 ASSI {  971}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HD1 ))
      6.000     4.800     0.000 peak   971 spectrum    1 weight  0.10000E+01 volume  0.20947E-03 ppm1      8.488 ppm2      6.044 CV     1
 ASSI {  975}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HZ3 ))
      5.300     3.500     0.700 peak   975 spectrum    1 weight  0.10000E+01 volume  0.35116E-03 ppm1      8.488 ppm2      7.080 CV     1
 ASSI {  976}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 81   and name HG2%)
      4.500     2.600     1.500 peak   976 spectrum    1 weight  0.10000E+01 volume  0.75818E-03 ppm1      8.489 ppm2      0.362 CV     1
 OR {  976}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
 ASSI {  977}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.400     0.700     0.700 peak   977 spectrum    1 weight  0.10000E+01 volume  0.36563E-02 ppm1      8.488 ppm2      8.691 CV     1
 ASSI {  978}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      4.500     2.500     1.500 peak   978 spectrum    1 weight  0.10000E+01 volume  0.50234E-03 ppm1      8.487 ppm2      8.855 CV     1
 ASSI {  979}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      4.600     2.600     1.400 peak   979 spectrum    1 weight  0.10000E+01 volume  0.34195E-03 ppm1      8.487 ppm2      8.162 CV     1
 ASSI {  980}
   (( segid "    " and resid 80   and name HE1 ))
   (( segid "    " and resid 72   and name HZ2 ))
      6.000     4.700     0.000 peak   980 spectrum    1 weight  0.10000E+01 volume  0.17154E-03 ppm1     11.692 ppm2      6.960 CV     1
 ASSI {  981}
   (( segid "    " and resid 80   and name HE1 ))
   (( segid "    " and resid 125  and name HA  ))
      4.900     3.000     1.100 peak   981 spectrum    1 weight  0.10000E+01 volume  0.20742E-03 ppm1     11.692 ppm2      4.339 CV     1
 ASSI {  986}
   (( segid "    " and resid 80   and name HE1 ))
   (  segid "    " and resid 132  and name HD1%)
      2.700     0.900     0.900 peak   986 spectrum    1 weight  0.10000E+01 volume  0.94743E-03 ppm1     11.692 ppm2     -0.093 CV     1
 ASSI {  989}
   (( segid "    " and resid 80   and name HE1 ))
   (( segid "    " and resid 72   and name HH2 ))
      4.800     2.900     1.200 peak   989 spectrum    1 weight  0.10000E+01 volume  0.28826E-03 ppm1     11.691 ppm2      5.805 CV     1
 ASSI {  991}
   (( segid "    " and resid 80   and name HE1 ))
   (( segid "    " and resid 72   and name HZ3 ))
      5.300     3.500     0.700 peak   991 spectrum    1 weight  0.10000E+01 volume  0.13820E-03 ppm1     11.689 ppm2      6.158 CV     1
 ASSI {  992}
   (( segid "    " and resid 80   and name HE1 ))
   (( segid "    " and resid 80   and name HA  ))
      5.300     3.500     0.700 peak   992 spectrum    1 weight  0.10000E+01 volume  0.12405E-03 ppm1     11.692 ppm2      4.530 CV     1
 ASSI {  997}
   (( segid "    " and resid 80   and name HE1 ))
   (( segid "    " and resid 80   and name HE3 ))
      4.100     2.100     1.900 peak   997 spectrum    1 weight  0.10000E+01 volume  0.23116E-03 ppm1     11.690 ppm2      8.071 CV     1
 ASSI {  998}
   (( segid "    " and resid 80   and name HE1 ))
   (( segid "    " and resid 80   and name HH2 ))
      4.300     2.300     1.700 peak   998 spectrum    1 weight  0.10000E+01 volume  0.58578E-03 ppm1     11.692 ppm2      7.125 CV     1
 ASSI { 1003}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     5.000     0.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.11799E-03 ppm1      8.690 ppm2      0.579 CV     1
 ASSI { 1006}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      5.300     3.500     0.700 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.17661E-03 ppm1      8.691 ppm2      2.270 CV     1
 OR { 1006}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HG3 ))
 ASSI { 1007}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      5.800     4.200     0.200 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.10922E-03 ppm1      8.692 ppm2      3.522 CV     1
 OR { 1007}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI { 1012}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
      5.900     4.400     0.100 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.14427E-03 ppm1      8.693 ppm2      1.591 CV     1
 ASSI { 1021}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HE3 ))
      2.800     1.000     1.000 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.17712E-02 ppm1      8.691 ppm2      8.074 CV     1
 ASSI { 1023}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HZ3 ))
      4.900     3.000     1.100 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.34073E-03 ppm1      8.691 ppm2      7.105 CV     1
 ASSI { 1026}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 81   and name HG2%)
      2.400     0.700     0.700 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.90054E-02 ppm1      8.691 ppm2      0.369 CV     1
 OR { 1026}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
 ASSI { 1028}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.500     0.800     0.800 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.39111E-02 ppm1      8.691 ppm2      8.862 CV     1
 ASSI { 1029}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      3.600     1.600     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.73202E-03 ppm1      8.691 ppm2      8.160 CV     1
 ASSI { 1034}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 95   and name HE% )
      4.200     2.200     1.800 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.12062E-02 ppm1      8.864 ppm2      7.297 CV     1
 OR { 1034}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 95   and name HD% )
 OR { 1034}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 95   and name HZ  ))
 ASSI { 1039}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 78   and name HD2 ))
      6.000     4.700     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.95884E-04 ppm1      8.862 ppm2      3.161 CV     1
 OR { 1039}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 78   and name HD3 ))
 ASSI { 1043}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      4.400     2.400     1.600 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.44155E-03 ppm1      8.864 ppm2      4.529 CV     1
 ASSI { 1045}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.000     1.200     1.200 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.15802E-02 ppm1      8.861 ppm2      2.664 CV     1
 ASSI { 1047}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
      2.700     0.900     0.900 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.33555E-02 ppm1      8.861 ppm2      0.366 CV     1
 OR { 1047}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HG2%)
 ASSI { 1049}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.400     0.700     0.700 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.47873E-02 ppm1      8.859 ppm2      4.077 CV     1
 ASSI { 1055}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.400     0.700     0.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.45052E-02 ppm1      8.864 ppm2      8.164 CV     1
 ASSI { 1059}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 85   and name HG2%)
      5.100     3.200     0.900 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.24440E-03 ppm1      8.162 ppm2      1.032 CV     1
 ASSI { 1060}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      5.400     3.600     0.600 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.27712E-03 ppm1      8.164 ppm2      3.019 CV     1
 ASSI { 1061}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      5.600     3.900     0.400 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.25942E-03 ppm1      8.167 ppm2      2.758 CV     1
 OR { 1061}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HB3 ))
 ASSI { 1064}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      4.400     2.400     1.600 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.33723E-03 ppm1      8.167 ppm2      7.553 CV     1
 ASSI { 1065}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 95   and name HE% )
      6.000     4.900     0.000 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.18835E-03 ppm1      8.167 ppm2      7.259 CV     1
 ASSI { 1066}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.000     2.000     2.000 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.69140E-03 ppm1      8.164 ppm2      4.466 CV     1
 ASSI { 1069}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HD1 ))
      6.000     4.600     0.000 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.10126E-03 ppm1      8.164 ppm2      6.046 CV     1
 ASSI { 1071}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HB  ))
      4.900     3.000     1.100 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.32821E-03 ppm1      8.165 ppm2      1.859 CV     1
 ASSI { 1072}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
      4.800     2.800     1.200 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.42119E-03 ppm1      8.166 ppm2      0.362 CV     1
 OR { 1072}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 81   and name HG2%)
 ASSI { 1084}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.600     0.800     0.800 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.44417E-02 ppm1      8.165 ppm2      8.462 CV     1
 ASSI { 1087}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 56   and name HB2 ))
      4.500     2.500     1.500 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.24492E-03 ppm1     10.273 ppm2      1.857 CV     1
 OR { 1087}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 56   and name HB3 ))
 ASSI { 1088}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 59   and name HB3 ))
      2.700     2.700     3.300 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.95743E-03 ppm1     10.271 ppm2      1.703 CV     1
 OR { 1088}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1089}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 84   and name HA  ))
      5.000     3.100     1.000 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.14643E-03 ppm1     10.270 ppm2      3.022 CV     1
 ASSI { 1091}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 55   and name HA2 ))
      3.600     1.600     1.600 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.64516E-03 ppm1     10.272 ppm2      4.171 CV     1
 OR { 1091}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 55   and name HA1 ))
 ASSI { 1094}
   (( segid "    " and resid 83   and name HE1 ))
   (  segid "    " and resid 56   and name HD% )
      5.100     3.200     0.900 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.27939E-03 ppm1     10.271 ppm2      6.524 CV     1
 ASSI { 1096}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     5.700     0.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.10320E-03 ppm1     10.269 ppm2      7.620 CV     1
 ASSI { 1102}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 83   and name HH2 ))
      4.700     2.700     1.300 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.56570E-03 ppm1     10.272 ppm2      7.164 CV     1
 ASSI { 1103}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 83   and name HZ2 ))
      2.300     0.700     0.700 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.12261E-01 ppm1     10.271 ppm2      7.368 CV     1
 ASSI { 1110}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      4.900     3.100     1.100 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.24281E-03 ppm1      8.461 ppm2      3.405 CV     1
 ASSI { 1114}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 90   and name HD1%)
      6.000     4.700     0.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.13624E-03 ppm1      8.462 ppm2      0.723 CV     1
 ASSI { 1116}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 56   and name HD% )
      6.000     5.500     0.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.97868E-04 ppm1      8.465 ppm2      6.520 CV     1
 ASSI { 1121}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      4.500     2.600     1.500 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.54285E-03 ppm1      8.456 ppm2      4.536 CV     1
 ASSI { 1122}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HD1 ))
      5.300     3.500     0.700 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.16339E-03 ppm1      8.457 ppm2      6.043 CV     1
 ASSI { 1124}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.600     1.600     1.600 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.15531E-02 ppm1      8.459 ppm2      2.681 CV     1
 ASSI { 1125}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
      4.400     2.400     1.600 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.77094E-03 ppm1      8.459 ppm2      0.346 CV     1
 OR { 1125}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 81   and name HG2%)
 ASSI { 1126}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      4.900     3.000     1.100 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.20570E-03 ppm1      8.459 ppm2      8.684 CV     1
 ASSI { 1133}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.400     0.700     0.700 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.39347E-02 ppm1      8.461 ppm2      8.841 CV     1
 ASSI { 1134}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.500     1.600     1.600 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.95681E-03 ppm1      8.459 ppm2      7.529 CV     1
 ASSI { 1136}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 90   and name HB3 ))
      6.000     4.600     0.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.23892E-03 ppm1      8.832 ppm2      1.322 CV     1
 OR { 1136}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 90   and name HB2 ))
 ASSI { 1141}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      4.600     2.600     1.400 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.52234E-03 ppm1      8.835 ppm2      2.565 CV     1
 OR { 1141}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 88   and name HB3 ))
 ASSI { 1144}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      5.600     3.900     0.400 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.20018E-03 ppm1      8.834 ppm2      7.652 CV     1
 ASSI { 1147}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      4.000     2.000     2.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.11423E-02 ppm1      8.835 ppm2      2.683 CV     1
 ASSI { 1148}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
      4.000     2.000     2.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.15329E-02 ppm1      8.835 ppm2      0.357 CV     1
 OR { 1148}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 81   and name HG2%)
 ASSI { 1151}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      3.400     1.500     1.500 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.10969E-02 ppm1      8.838 ppm2      8.162 CV     1
 ASSI { 1157}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 85   and name HG2%)
      2.300     0.700     0.700 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.94071E-02 ppm1      8.834 ppm2      1.037 CV     1
 OR { 1157}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 85   and name HG1%)
 ASSI { 1159}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      2.500     0.800     0.800 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.39813E-02 ppm1      8.834 ppm2      7.539 CV     1
 ASSI { 1160}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 88   and name HD% )
      4.600     2.600     1.400 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.22484E-03 ppm1      8.835 ppm2      7.176 CV     1
 ASSI { 1161}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 93   and name HG1%)
      5.500     3.700     0.500 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.35593E-03 ppm1      8.835 ppm2      0.270 CV     1
 ASSI { 1162}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      5.500     3.800     0.500 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.47553E-03 ppm1      8.834 ppm2      0.579 CV     1
 ASSI { 1163}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 90   and name HD1%)
      6.000     4.500     0.000 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.16251E-03 ppm1      7.541 ppm2      0.721 CV     1
 ASSI { 1164}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      5.000     3.200     1.000 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.37084E-03 ppm1      7.541 ppm2      0.538 CV     1
 ASSI { 1166}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
      5.800     4.200     0.200 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.21421E-03 ppm1      7.541 ppm2      0.209 CV     1
 OR { 1166}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI { 1169}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      5.200     3.400     0.800 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.20644E-03 ppm1      7.539 ppm2      2.558 CV     1
 OR { 1169}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 88   and name HB3 ))
 ASSI { 1170}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 83   and name HD1 ))
      5.200     3.300     0.800 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.27712E-03 ppm1      7.539 ppm2      7.335 CV     1
 ASSI { 1174}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      5.500     3.700     0.500 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.11255E-03 ppm1      7.535 ppm2      7.952 CV     1
 ASSI { 1177}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 82   and name HE% )
      5.100     3.200     0.900 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.29056E-03 ppm1      7.542 ppm2      1.828 CV     1
 ASSI { 1182}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      4.400     2.400     1.600 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.29747E-03 ppm1      7.540 ppm2      3.027 CV     1
 ASSI { 1183}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      4.700     2.800     1.300 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.40653E-03 ppm1      7.541 ppm2      1.184 CV     1
 ASSI { 1186}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 85   and name HG1%)
      2.800     1.000     1.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.29327E-02 ppm1      7.540 ppm2      1.056 CV     1
 OR { 1186}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 85   and name HG2%)
 ASSI { 1191}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HD21))
      3.300     1.400     1.400 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.63888E-03 ppm1      7.539 ppm2      7.676 CV     1
 ASSI { 1194}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      2.400     0.700     0.700 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.46320E-02 ppm1      7.541 ppm2      8.442 CV     1
 ASSI { 1195}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 88   and name HD% )
      5.400     3.700     0.600 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.13717E-03 ppm1      7.541 ppm2      7.187 CV     1
 ASSI { 1197}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      4.400     2.400     1.600 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.47989E-03 ppm1      7.540 ppm2      7.786 CV     1
 ASSI { 1198}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      4.300     2.300     1.700 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.52637E-03 ppm1      7.540 ppm2      7.419 CV     1
 ASSI { 1199}
   (( segid "    " and resid 86   and name HD21))
   (( segid "    " and resid 87   and name HA  ))
      5.000     3.100     1.000 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.16688E-03 ppm1      7.706 ppm2      3.546 CV     1
 ASSI { 1200}
   (( segid "    " and resid 86   and name HD21))
   (( segid "    " and resid 83   and name HA  ))
      4.000     2.000     2.000 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.33620E-03 ppm1      7.706 ppm2      4.144 CV     1
 ASSI { 1202}
   (( segid "    " and resid 86   and name HD22))
   (( segid "    " and resid 90   and name HG  ))
      5.600     3.900     0.400 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.11955E-03 ppm1      6.803 ppm2      1.843 CV     1
 ASSI { 1203}
   (( segid "    " and resid 86   and name HD22))
   (( segid "    " and resid 87   and name HA  ))
      5.300     3.500     0.700 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.12173E-03 ppm1      6.800 ppm2      3.547 CV     1
 ASSI { 1204}
   (( segid "    " and resid 86   and name HD22))
   (( segid "    " and resid 83   and name HA  ))
      5.000     3.100     1.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.16876E-03 ppm1      6.801 ppm2      4.135 CV     1
 ASSI { 1205}
   (( segid "    " and resid 86   and name HD22))
   (( segid "    " and resid 83   and name HD1 ))
      4.100     2.100     1.900 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.23628E-03 ppm1      6.807 ppm2      7.336 CV     1
 ASSI { 1212}
   (( segid "    " and resid 86   and name HD21))
   (  segid "    " and resid 85   and name HG1%)
      5.500     3.700     0.500 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.18954E-03 ppm1      7.708 ppm2      1.060 CV     1
 OR { 1212}
   (( segid "    " and resid 86   and name HD21))
   (  segid "    " and resid 85   and name HG2%)
 ASSI { 1213}
   (( segid "    " and resid 86   and name HD22))
   (  segid "    " and resid 85   and name HG1%)
      6.000     5.500     0.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.15697E-03 ppm1      6.800 ppm2      1.053 CV     1
 OR { 1213}
   (( segid "    " and resid 86   and name HD22))
   (  segid "    " and resid 85   and name HG2%)
 ASSI { 1214}
   (( segid "    " and resid 86   and name HD21))
   (( segid "    " and resid 86   and name HA  ))
      4.400     2.400     1.600 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.29473E-03 ppm1      7.707 ppm2      4.434 CV     1
 ASSI { 1215}
   (( segid "    " and resid 86   and name HD22))
   (( segid "    " and resid 86   and name HA  ))
      6.000     4.700     0.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.16603E-03 ppm1      6.804 ppm2      4.437 CV     1
 ASSI { 1221}
   (( segid "    " and resid 86   and name HD22))
   (( segid "    " and resid 86   and name HD21))
      1.400     0.200     0.800 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.35219E-01 ppm1      6.804 ppm2      7.708 CV     1
 ASSI { 1225}
   (( segid "    " and resid 86   and name HD22))
   (( segid "    " and resid 86   and name HN  ))
      5.400     3.700     0.600 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.40447E-03 ppm1      6.805 ppm2      7.519 CV     1
 ASSI { 1229}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      4.600     2.700     1.400 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.38059E-03 ppm1      8.438 ppm2      8.555 CV     1
 ASSI { 1231}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.800     1.000     1.000 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.25097E-02 ppm1      8.433 ppm2      3.032 CV     1
 ASSI { 1232}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      4.600     2.600     1.400 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.32406E-03 ppm1      8.439 ppm2      1.191 CV     1
 ASSI { 1233}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      4.000     2.000     2.000 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.26379E-03 ppm1      8.439 ppm2      3.401 CV     1
 ASSI { 1234}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 85   and name HB  ))
      4.900     3.000     1.100 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.25682E-03 ppm1      8.435 ppm2      2.329 CV     1
 ASSI { 1235}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      3.900     1.900     1.900 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.43618E-03 ppm1      8.438 ppm2      8.828 CV     1
 ASSI { 1239}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HD21))
      2.700     0.900     0.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.28837E-03 ppm1      8.438 ppm2      7.683 CV     1
 ASSI { 1240}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HD22))
      5.700     4.100     0.300 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.17939E-03 ppm1      8.438 ppm2      6.801 CV     1
 ASSI { 1248}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.200     0.600     0.600 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.36515E-02 ppm1      8.439 ppm2      7.788 CV     1
 ASSI { 1249}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      3.600     1.600     1.600 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.75235E-03 ppm1      8.439 ppm2      7.395 CV     1
 ASSI { 1251}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 90   and name HD1%)
      4.800     2.900     1.200 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.49182E-03 ppm1      7.790 ppm2      0.720 CV     1
 ASSI { 1252}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 90   and name HD2%)
      5.500     3.700     0.500 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.59521E-03 ppm1      7.790 ppm2      0.894 CV     1
 ASSI { 1253}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 90   and name HG  ))
      3.800     1.800     1.800 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.93708E-03 ppm1      7.790 ppm2      1.805 CV     1
 ASSI { 1257}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      4.500     2.500     1.500 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.35216E-03 ppm1      7.790 ppm2      1.186 CV     1
 ASSI { 1258}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      5.000     3.100     1.000 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.15772E-03 ppm1      7.787 ppm2      8.830 CV     1
 ASSI { 1259}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      4.300     2.300     1.700 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.40070E-03 ppm1      7.791 ppm2      4.428 CV     1
 ASSI { 1261}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 86   and name HD21))
      5.400     3.700     0.600 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.25827E-03 ppm1      7.784 ppm2      7.670 CV     1
 ASSI { 1269}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.900     1.000     1.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.23525E-02 ppm1      7.791 ppm2      4.657 CV     1
 ASSI { 1273}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 88   and name HE% )
      4.800     2.900     1.200 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.36916E-03 ppm1      7.790 ppm2      7.265 CV     1
 ASSI { 1276}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HB3 ))
      5.300     3.500     0.700 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.28365E-03 ppm1      7.789 ppm2      4.002 CV     1
 OR { 1276}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
 ASSI { 1278}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      4.100     2.100     1.900 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.63546E-03 ppm1      7.788 ppm2      7.982 CV     1
 ASSI { 1279}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 90   and name HD2%)
      5.100     3.200     0.900 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.35712E-03 ppm1      7.397 ppm2      0.890 CV     1
 ASSI { 1280}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 90   and name HD1%)
      5.600     4.000     0.400 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.28533E-03 ppm1      7.398 ppm2      0.722 CV     1
 ASSI { 1281}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 90   and name HB3 ))
      6.000     5.400     0.000 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.10133E-03 ppm1      7.400 ppm2      1.363 CV     1
 OR { 1281}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 90   and name HB2 ))
 ASSI { 1282}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 90   and name HG  ))
      3.800     1.800     1.800 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.99543E-03 ppm1      7.397 ppm2      1.806 CV     1
 ASSI { 1283}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 91   and name HE2 ))
      5.500     3.800     0.500 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.13822E-03 ppm1      7.398 ppm2      3.012 CV     1
 OR { 1283}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 91   and name HE3 ))
 ASSI { 1284}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      4.900     3.000     1.100 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.20039E-03 ppm1      7.398 ppm2      2.677 CV     1
 ASSI { 1292}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.200     1.200     1.200 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.17579E-02 ppm1      7.397 ppm2      4.661 CV     1
 ASSI { 1295}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 88   and name HD% )
      5.000     3.100     1.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.47686E-03 ppm1      7.396 ppm2      7.179 CV     1
 ASSI { 1296}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.400     0.700     0.700 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.55928E-02 ppm1      7.397 ppm2      7.789 CV     1
 ASSI { 1300}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      2.600     0.800     0.800 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.37501E-02 ppm1      7.397 ppm2      7.979 CV     1
 ASSI { 1302}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 85   and name HG1%)
      3.100     1.200     1.200 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.28056E-02 ppm1      7.980 ppm2      1.065 CV     1
 OR { 1302}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 85   and name HG2%)
 ASSI { 1306}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 88   and name HD% )
      6.000     4.600     0.000 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.21037E-03 ppm1      7.975 ppm2      7.141 CV     1
 ASSI { 1307}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      5.400     3.700     0.600 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.33081E-03 ppm1      7.980 ppm2      8.854 CV     1
 ASSI { 1308}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      5.600     3.900     0.400 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.16933E-03 ppm1      7.981 ppm2      4.638 CV     1
 ASSI { 1320}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      3.200     1.300     1.300 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.48724E-03 ppm1      7.979 ppm2      8.550 CV     1
 ASSI { 1321}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      5.200     3.300     0.800 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.28221E-03 ppm1      7.980 ppm2      8.468 CV     1
 ASSI { 1322}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      5.700     4.000     0.300 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.45065E-03 ppm1      7.978 ppm2      0.588 CV     1
 ASSI { 1323}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 85   and name HG1%)
      2.600     0.900     0.900 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.13952E-02 ppm1      8.557 ppm2      1.092 CV     1
 ASSI { 1329}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      5.000     3.100     1.000 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.10748E-03 ppm1      8.556 ppm2      4.127 CV     1
 ASSI { 1330}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      3.400     3.400     2.600 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.15860E-03 ppm1      8.559 ppm2      3.998 CV     1
 OR { 1330}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HB3 ))
 ASSI { 1332}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 90   and name HD1%)
      5.400     3.700     0.600 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.39981E-03 ppm1      8.559 ppm2      0.722 CV     1
 ASSI { 1333}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 90   and name HD2%)
      2.300     2.300     3.700 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.18614E-02 ppm1      8.557 ppm2      0.889 CV     1
 ASSI { 1336}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB3 ))
      2.700     0.900     0.900 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.54331E-02 ppm1      8.555 ppm2      1.788 CV     1
 OR { 1336}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
 ASSI { 1338}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HE2 ))
      5.400     3.600     0.600 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.14854E-03 ppm1      8.554 ppm2      2.994 CV     1
 OR { 1338}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HE3 ))
 ASSI { 1339}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HG3 ))
      3.200     1.200     1.200 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.10095E-02 ppm1      8.555 ppm2      1.672 CV     1
 OR { 1339}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HG2 ))
 ASSI { 1341}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      5.300     3.600     0.700 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.46607E-03 ppm1      8.559 ppm2      0.586 CV     1
 ASSI { 1342}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 85   and name HG1%)
      4.800     2.900     1.200 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.13865E-03 ppm1      8.472 ppm2      1.075 CV     1
 ASSI { 1345}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB3 ))
      3.800     1.800     1.800 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.99169E-03 ppm1      8.480 ppm2      1.794 CV     1
 OR { 1345}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
 ASSI { 1347}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HG3 ))
      3.200     1.300     1.300 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.24292E-03 ppm1      8.481 ppm2      1.677 CV     1
 OR { 1347}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HG2 ))
 ASSI { 1351}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      4.600     2.600     1.400 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.21043E-03 ppm1      8.481 ppm2      0.582 CV     1
 ASSI { 1352}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      3.300     1.300     1.300 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.10780E-02 ppm1      8.479 ppm2      8.083 CV     1
 ASSI { 1353}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
      6.000     4.900     0.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.20662E-03 ppm1      8.082 ppm2      0.364 CV     1
 ASSI { 1355}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 121  and name HG1%)
      5.400     3.700     0.600 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.26632E-03 ppm1      8.084 ppm2      0.819 CV     1
 ASSI { 1356}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 85   and name HG1%)
      3.800     1.800     1.800 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.10398E-02 ppm1      8.084 ppm2      1.050 CV     1
 OR { 1356}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 85   and name HG2%)
 ASSI { 1357}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 90   and name HB3 ))
      5.800     4.200     0.200 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.12838E-03 ppm1      8.084 ppm2      1.344 CV     1
 OR { 1357}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 90   and name HB2 ))
 ASSI { 1359}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 118  and name HD3 ))
      5.800     4.200     0.200 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.10587E-03 ppm1      8.086 ppm2      3.176 CV     1
 OR { 1359}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 118  and name HD2 ))
 ASSI { 1363}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 98   and name HD% )
      6.000     5.800     0.000 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.12243E-03 ppm1      8.084 ppm2      7.167 CV     1
 ASSI { 1364}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 90   and name HD1%)
      6.000     4.500     0.000 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.22404E-03 ppm1      8.084 ppm2      0.712 CV     1
 ASSI { 1374}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.600     2.700     1.400 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.56294E-03 ppm1      8.084 ppm2      8.974 CV     1
 ASSI { 1375}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 95   and name HD% )
      5.100     3.300     0.900 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.26568E-03 ppm1      8.083 ppm2      7.293 CV     1
 ASSI { 1377}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 116  and name HG  ))
      4.900     2.900     1.100 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.22378E-03 ppm1      8.969 ppm2      1.607 CV     1
 ASSI { 1378}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 118  and name HD3 ))
      4.900     3.000     1.100 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.18651E-03 ppm1      8.967 ppm2      3.173 CV     1
 OR { 1378}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 118  and name HD2 ))
 ASSI { 1380}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      5.400     3.600     0.600 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.12061E-03 ppm1      8.967 ppm2      4.170 CV     1
 ASSI { 1382}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB  ))
      4.800     2.900     1.200 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.52372E-03 ppm1      8.970 ppm2      1.721 CV     1
 ASSI { 1390}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 95   and name HD% )
      6.000     4.900     0.000 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.11447E-03 ppm1      8.964 ppm2      7.285 CV     1
 ASSI { 1391}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      4.800     2.800     1.200 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.34070E-03 ppm1      8.971 ppm2      8.503 CV     1
 ASSI { 1392}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      5.700     4.100     0.300 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.15860E-03 ppm1      8.976 ppm2      7.537 CV     1
 ASSI { 1393}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 98   and name HD% )
      4.600     2.600     1.400 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.12830E-03 ppm1      8.969 ppm2      7.157 CV     1
 ASSI { 1394}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 98   and name HE% )
      4.200     2.200     1.800 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.24682E-03 ppm1      8.969 ppm2      6.998 CV     1
 ASSI { 1395}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HG3 ))
      6.000     4.700     0.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.14379E-03 ppm1      8.494 ppm2      2.448 CV     1
 OR { 1395}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI { 1396}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      5.500     3.700     0.500 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.30389E-03 ppm1      8.492 ppm2      2.235 CV     1
 OR { 1396}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HB3 ))
 ASSI { 1399}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      6.000     4.700     0.000 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.99603E-04 ppm1      8.494 ppm2      3.630 CV     1
 ASSI { 1400}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 93   and name HB  ))
      5.500     3.700     0.500 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.12414E-03 ppm1      8.484 ppm2      1.710 CV     1
 ASSI { 1401}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 93   and name HG1%)
      3.500     1.600     1.600 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.77463E-03 ppm1      8.493 ppm2      0.276 CV     1
 ASSI { 1402}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      6.000     5.200     0.000 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.95350E-04 ppm1      8.491 ppm2      0.568 CV     1
 ASSI { 1403}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.300     0.600     0.600 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.85144E-02 ppm1      8.493 ppm2      4.804 CV     1
 ASSI { 1412}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      2.400     0.700     0.700 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.62259E-02 ppm1      8.490 ppm2      8.552 CV     1
 ASSI { 1413}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      4.600     2.600     1.400 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.37664E-03 ppm1      8.490 ppm2      7.542 CV     1
 ASSI { 1415}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HB3 ))
      5.000     3.200     1.000 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.45878E-03 ppm1      8.555 ppm2      1.807 CV     1
 OR { 1415}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
 ASSI { 1417}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HG2 ))
      6.000     5.000     0.000 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.21429E-03 ppm1      8.559 ppm2      1.676 CV     1
 OR { 1417}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HG3 ))
 ASSI { 1419}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 93   and name HG1%)
      5.200     3.400     0.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.20092E-03 ppm1      8.556 ppm2      0.273 CV     1
 ASSI { 1420}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.600     1.600     1.600 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.11687E-02 ppm1      8.554 ppm2      4.797 CV     1
 ASSI { 1423}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.400     1.400     1.400 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.10011E-02 ppm1      8.554 ppm2      4.154 CV     1
 ASSI { 1433}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      2.400     0.700     0.700 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.51488E-02 ppm1      8.555 ppm2      7.537 CV     1
 ASSI { 1434}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      3.800     1.800     1.800 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.86623E-03 ppm1      8.555 ppm2      7.283 CV     1
 ASSI { 1435}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      5.200     3.300     0.800 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.23428E-03 ppm1      8.554 ppm2      7.193 CV     1
 ASSI { 1436}
   (( segid "    " and resid 96   and name HE21))
   (( segid "    " and resid 95   and name HB2 ))
      5.000     3.100     1.000 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.17513E-03 ppm1      7.731 ppm2      3.058 CV     1
 OR { 1436}
   (( segid "    " and resid 96   and name HE21))
   (( segid "    " and resid 95   and name HB3 ))
 ASSI { 1439}
   (( segid "    " and resid 96   and name HE22))
   (( segid "    " and resid 99   and name HB2 ))
      5.300     3.500     0.700 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.14010E-03 ppm1      6.856 ppm2      2.874 CV     1
 OR { 1439}
   (( segid "    " and resid 96   and name HE22))
   (( segid "    " and resid 99   and name HB3 ))
 ASSI { 1440}
   (( segid "    " and resid 96   and name HE22))
   (( segid "    " and resid 95   and name HB2 ))
      5.400     3.600     0.600 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.16121E-03 ppm1      6.855 ppm2      3.070 CV     1
 OR { 1440}
   (( segid "    " and resid 96   and name HE22))
   (( segid "    " and resid 95   and name HB3 ))
 ASSI { 1442}
   (( segid "    " and resid 96   and name HE21))
   (( segid "    " and resid 96   and name HA  ))
      4.400     2.400     1.600 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.11364E-03 ppm1      7.733 ppm2      4.255 CV     1
 ASSI { 1443}
   (( segid "    " and resid 96   and name HE22))
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.10377E-03 ppm1      6.855 ppm2      4.248 CV     1
 ASSI { 1446}
   (( segid "    " and resid 96   and name HE22))
   (( segid "    " and resid 96   and name HE21))
      1.500     0.300     0.700 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.44371E-01 ppm1      6.858 ppm2      7.730 CV     1
 ASSI { 1454}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
      6.000     6.000     0.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.14523E-03 ppm1      7.536 ppm2      0.345 CV     1
 OR { 1454}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 81   and name HG2%)
 ASSI { 1457}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      5.400     3.700     0.600 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.23177E-03 ppm1      7.543 ppm2      4.416 CV     1
 ASSI { 1463}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      5.100     3.200     0.900 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.20585E-03 ppm1      7.536 ppm2      4.802 CV     1
 ASSI { 1472}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HE21))
      5.700     4.000     0.300 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.14256E-03 ppm1      7.536 ppm2      7.736 CV     1
 ASSI { 1481}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 98   and name HD% )
      3.900     1.900     1.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.80742E-03 ppm1      7.537 ppm2      7.165 CV     1
 ASSI { 1482}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 98   and name HE% )
      5.200     3.400     0.800 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.26860E-03 ppm1      7.537 ppm2      7.003 CV     1
 ASSI { 1483}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      2.300     0.700     0.700 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.46710E-02 ppm1      7.537 ppm2      7.273 CV     1
 ASSI { 1487}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      4.500     2.500     1.500 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.67373E-03 ppm1      7.275 ppm2      2.867 CV     1
 OR { 1487}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HB3 ))
 ASSI { 1488}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 100  and name HE% )
      5.600     3.900     0.400 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.28289E-03 ppm1      7.277 ppm2      2.017 CV     1
 ASSI { 1489}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
      5.700     4.000     0.300 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.45152E-03 ppm1      7.277 ppm2      0.362 CV     1
 OR { 1489}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 81   and name HG2%)
 ASSI { 1491}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.500     1.500     1.500 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.10648E-02 ppm1      7.276 ppm2      4.183 CV     1
 ASSI { 1494}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.500     1.500     1.500 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.10084E-02 ppm1      7.278 ppm2      4.236 CV     1
 ASSI { 1499}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.300     1.400     1.400 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.13589E-02 ppm1      7.276 ppm2      3.988 CV     1
 ASSI { 1503}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HG2 ))
      4.900     2.900     1.100 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.68896E-03 ppm1      7.278 ppm2      1.671 CV     1
 OR { 1503}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HG3 ))
 ASSI { 1505}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.700     0.900     0.900 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.24414E-02 ppm1      7.277 ppm2      4.410 CV     1
 ASSI { 1508}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 98   and name HD% )
      2.800     1.000     1.000 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.24313E-02 ppm1      7.275 ppm2      7.128 CV     1
 ASSI { 1512}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      2.300     0.700     0.700 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.65825E-02 ppm1      7.278 ppm2      7.205 CV     1
 ASSI { 1513}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      5.600     3.900     0.400 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.14619E-03 ppm1      7.278 ppm2      8.471 CV     1
 ASSI { 1515}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 116  and name HD1%)
      5.000     3.100     1.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.26426E-03 ppm1      7.280 ppm2      0.287 CV     1
 ASSI { 1516}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 116  and name HD2%)
      5.200     3.400     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.20701E-03 ppm1      7.277 ppm2      0.510 CV     1
 ASSI { 1522}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.500     1.600     1.600 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.10319E-02 ppm1      7.211 ppm2      4.250 CV     1
 ASSI { 1524}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 96   and name HE21))
      5.300     3.600     0.700 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.19785E-03 ppm1      7.211 ppm2      7.720 CV     1
 ASSI { 1525}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 96   and name HE22))
      5.900     4.300     0.100 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.16927E-03 ppm1      7.209 ppm2      6.881 CV     1
 ASSI { 1528}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.500     1.500     1.500 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.84905E-03 ppm1      7.212 ppm2      3.988 CV     1
 ASSI { 1529}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      5.400     3.600     0.600 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.16948E-03 ppm1      7.211 ppm2      1.806 CV     1
 OR { 1529}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 97   and name HB3 ))
 ASSI { 1532}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 97   and name HG2 ))
      5.500     3.800     0.500 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.25156E-03 ppm1      7.211 ppm2      1.681 CV     1
 OR { 1532}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 97   and name HG3 ))
 ASSI { 1533}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      4.000     2.000     2.000 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.74997E-03 ppm1      7.210 ppm2      7.540 CV     1
 ASSI { 1534}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.700     0.900     0.900 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.28625E-02 ppm1      7.212 ppm2      4.409 CV     1
 ASSI { 1542}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 116  and name HD1%)
      5.600     3.900     0.400 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.12124E-03 ppm1      7.213 ppm2      0.292 CV     1
 ASSI { 1543}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 77   and name HG1%)
      3.200     1.300     1.300 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.13425E-02 ppm1      8.439 ppm2      1.693 CV     1
 ASSI { 1544}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
      4.100     2.100     1.900 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.64335E-03 ppm1      8.440 ppm2      1.606 CV     1
 ASSI { 1545}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 105  and name HD1%)
      5.200     3.400     0.800 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.26014E-03 ppm1      8.437 ppm2      1.391 CV     1
 ASSI { 1547}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      4.200     2.200     1.800 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.48439E-03 ppm1      8.438 ppm2      4.200 CV     1
 OR { 1547}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
 OR { 1547}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HB3 ))
 ASSI { 1548}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 104  and name HB% )
      5.800     4.300     0.200 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.22432E-03 ppm1      8.438 ppm2      1.490 CV     1
 ASSI { 1549}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.500     1.500     1.500 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.13905E-02 ppm1      8.440 ppm2      4.424 CV     1
 ASSI { 1551}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.200     0.600     0.600 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.13766E-01 ppm1      8.440 ppm2      4.737 CV     1
 ASSI { 1553}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      3.700     1.700     1.700 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.12915E-02 ppm1      8.442 ppm2      7.214 CV     1
 ASSI { 1554}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.300     0.600     0.600 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.88339E-02 ppm1      8.441 ppm2      4.782 CV     1
 ASSI { 1562}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
      6.000     4.700     0.000 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.11891E-03 ppm1      8.508 ppm2      1.780 CV     1
 OR { 1562}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 105  and name HB3 ))
 ASSI { 1563}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 77   and name HG1%)
      5.700     4.000     0.300 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.13686E-03 ppm1      8.511 ppm2      1.714 CV     1
 ASSI { 1564}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
      4.300     2.300     1.700 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.32379E-03 ppm1      8.510 ppm2      1.610 CV     1
 ASSI { 1566}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 105  and name HD1%)
      6.000     5.000     0.000 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.16416E-03 ppm1      8.512 ppm2      1.386 CV     1
 ASSI { 1568}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.600     0.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.33745E-03 ppm1      8.507 ppm2      4.082 CV     1
 ASSI { 1569}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      4.500     2.500     1.500 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.30319E-03 ppm1      8.510 ppm2      4.435 CV     1
 ASSI { 1573}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      5.000     3.100     1.000 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.22280E-03 ppm1      8.509 ppm2      9.481 CV     1
 ASSI { 1574}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.000     0.500     0.500 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.89718E-02 ppm1      8.510 ppm2      4.773 CV     1
 ASSI { 1579}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      2.300     0.700     0.700 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.56548E-02 ppm1      8.510 ppm2      4.208 CV     1
 ASSI { 1582}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      4.300     2.300     1.700 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.55543E-03 ppm1      8.510 ppm2      8.845 CV     1
 ASSI { 1583}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      4.100     2.100     1.900 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.62657E-03 ppm1      8.510 ppm2      7.608 CV     1
 ASSI { 1584}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      4.600     2.600     1.400 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.35837E-03 ppm1      8.510 ppm2      8.311 CV     1
 ASSI { 1585}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
      3.400     1.500     1.500 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.14631E-02 ppm1      8.843 ppm2      3.447 CV     1
 OR { 1585}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1586}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      5.500     3.800     0.500 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.21117E-03 ppm1      8.843 ppm2      3.867 CV     1
 ASSI { 1590}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     6.000     0.000 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.11629E-03 ppm1      8.835 ppm2      1.234 CV     1
 ASSI { 1593}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      5.800     4.200     0.200 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.25172E-03 ppm1      8.842 ppm2      4.096 CV     1
 ASSI { 1594}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      4.900     3.000     1.100 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.31636E-03 ppm1      8.839 ppm2      4.420 CV     1
 ASSI { 1595}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      5.300     3.500     0.700 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.11097E-03 ppm1      8.841 ppm2      5.807 CV     1
 ASSI { 1602}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 72   and name HE3 ))
      6.000     4.700     0.000 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.24528E-03 ppm1      8.838 ppm2      7.247 CV     1
 ASSI { 1603}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      4.200     2.200     1.800 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.19541E-03 ppm1      8.837 ppm2     11.161 CV     1
 ASSI { 1613}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      3.800     1.800     1.800 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.77319E-03 ppm1      8.844 ppm2      7.624 CV     1
 ASSI { 1615}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
      4.800     2.900     1.200 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.52811E-03 ppm1      8.427 ppm2      1.601 CV     1
 ASSI { 1618}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      4.300     2.300     1.700 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.13738E-02 ppm1      8.429 ppm2      3.445 CV     1
 OR { 1618}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
 ASSI { 1623}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      4.000     2.000     2.000 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.13414E-02 ppm1      8.424 ppm2      8.508 CV     1
 ASSI { 1625}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      2.800     1.000     1.000 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.28777E-02 ppm1      8.428 ppm2      8.841 CV     1
 ASSI { 1629}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      2.600     0.900     0.900 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.41434E-02 ppm1      8.427 ppm2      7.606 CV     1
 ASSI { 1630}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      3.700     1.700     1.700 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.10730E-02 ppm1      8.426 ppm2      8.301 CV     1
 ASSI { 1631}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      4.500     2.500     1.500 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.36645E-03 ppm1      8.426 ppm2      8.231 CV     1
 ASSI { 1638}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 105  and name HD2%)
      6.000     5.000     0.000 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.13318E-03 ppm1      7.608 ppm2      1.274 CV     1
 ASSI { 1650}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      2.400     0.700     0.700 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.48412E-02 ppm1      7.607 ppm2      8.314 CV     1
 ASSI { 1651}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      4.700     2.700     1.300 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.26392E-03 ppm1      7.606 ppm2      7.395 CV     1
 ASSI { 1653}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 108  and name HD1%)
      5.200     3.400     0.800 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.27687E-03 ppm1      8.315 ppm2      1.067 CV     1
 ASSI { 1654}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
      3.900     1.900     1.900 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.48716E-03 ppm1      8.316 ppm2      1.623 CV     1
 ASSI { 1659}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     5.000     0.000 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.13128E-03 ppm1      8.314 ppm2      3.435 CV     1
 OR { 1659}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
 ASSI { 1661}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      3.200     1.300     1.300 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.10559E-02 ppm1      8.316 ppm2      3.717 CV     1
 OR { 1661}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
 ASSI { 1662}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      4.700     2.700     1.300 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.20577E-03 ppm1      8.313 ppm2      8.833 CV     1
 ASSI { 1663}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      4.500     2.500     1.500 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.25629E-03 ppm1      8.315 ppm2      3.884 CV     1
 ASSI { 1671}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HD1%)
      4.100     2.200     1.900 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.10260E-02 ppm1      8.315 ppm2      1.403 CV     1
 ASSI { 1673}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HG  ))
      4.000     2.000     2.000 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.12631E-02 ppm1      8.315 ppm2      1.896 CV     1
 ASSI { 1676}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      2.600     0.900     0.900 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.32853E-02 ppm1      8.313 ppm2      8.230 CV     1
 ASSI { 1678}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 129  and name HD2%)
      6.000     5.900     0.000 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.10366E-03 ppm1      8.318 ppm2     -0.016 CV     1
 ASSI { 1679}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 70   and name HD2 ))
      5.100     3.300     0.900 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.32869E-03 ppm1      8.233 ppm2      3.451 CV     1
 OR { 1679}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 70   and name HD3 ))
 ASSI { 1681}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 108  and name HG  ))
      4.700     2.800     1.300 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.15539E-03 ppm1      8.234 ppm2      2.339 CV     1
 ASSI { 1682}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
      3.600     1.600     1.600 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.26124E-02 ppm1      8.234 ppm2      2.223 CV     1
 OR { 1682}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 100  and name HG3 ))
 ASSI { 1684}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
      3.200     3.200     2.800 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.30181E-03 ppm1      8.234 ppm2      1.594 CV     1
 ASSI { 1685}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 108  and name HD1%)
      4.900     3.000     1.100 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.17940E-03 ppm1      8.236 ppm2      1.070 CV     1
 ASSI { 1687}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 113  and name HD% )
      4.900     3.000     1.100 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.19522E-03 ppm1      8.235 ppm2      7.254 CV     1
 ASSI { 1689}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      3.700     1.700     1.700 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.54621E-03 ppm1      8.235 ppm2      3.715 CV     1
 ASSI { 1692}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      4.200     2.200     1.800 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.45404E-03 ppm1      8.234 ppm2      4.084 CV     1
 ASSI { 1693}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      4.200     2.200     1.800 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.36043E-03 ppm1      8.236 ppm2      7.601 CV     1
 ASSI { 1697}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HD1%)
      4.800     2.800     1.200 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.41905E-03 ppm1      8.234 ppm2      1.386 CV     1
 ASSI { 1698}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HD2%)
      4.400     2.400     1.600 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.73872E-03 ppm1      8.234 ppm2      1.273 CV     1
 ASSI { 1699}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HG  ))
      3.600     1.600     1.600 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.77308E-03 ppm1      8.234 ppm2      1.899 CV     1
 ASSI { 1704}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      2.600     0.800     0.800 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.40116E-02 ppm1      8.234 ppm2      7.366 CV     1
 ASSI { 1706}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 129  and name HD1%)
      5.000     3.100     1.000 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.26276E-03 ppm1      8.234 ppm2      0.107 CV     1
 ASSI { 1707}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 129  and name HD2%)
      4.800     2.900     1.200 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.28159E-03 ppm1      8.235 ppm2     -0.022 CV     1
 ASSI { 1713}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      4.200     2.200     1.800 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.41089E-03 ppm1      7.369 ppm2      3.884 CV     1
 ASSI { 1716}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      3.900     1.900     1.900 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.57001E-03 ppm1      7.367 ppm2      8.317 CV     1
 ASSI { 1723}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 112  and name HB2 ))
      6.000     4.700     0.000 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.19705E-03 ppm1      7.356 ppm2      2.871 CV     1
 OR { 1723}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 112  and name HB3 ))
 ASSI { 1724}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
      6.000     6.000     0.000 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.16744E-03 ppm1      7.354 ppm2      3.044 CV     1
 OR { 1724}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 113  and name HB3 ))
 ASSI { 1733}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HG  ))
      2.000     0.500     0.500 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.69695E-02 ppm1      7.354 ppm2      2.312 CV     1
 ASSI { 1735}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      2.700     0.900     0.900 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.27113E-02 ppm1      7.354 ppm2      7.850 CV     1
 ASSI { 1736}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
      6.000     6.000     0.000 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.16138E-03 ppm1      7.850 ppm2      3.029 CV     1
 OR { 1736}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 113  and name HB3 ))
 ASSI { 1737}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 112  and name HB3 ))
      4.600     2.600     1.400 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.54236E-03 ppm1      7.850 ppm2      2.861 CV     1
 OR { 1737}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 112  and name HB2 ))
 ASSI { 1739}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 113  and name HD% )
      6.000     6.000     0.000 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.11681E-03 ppm1      7.851 ppm2      7.249 CV     1
 ASSI { 1741}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 126  and name HZ3 ))
      4.100     2.100     1.900 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.39837E-03 ppm1      7.850 ppm2      6.819 CV     1
 ASSI { 1742}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      4.300     2.300     1.700 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.81222E-03 ppm1      7.849 ppm2      8.105 CV     1
 ASSI { 1748}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      3.300     3.300     2.700 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.19938E-03 ppm1      7.849 ppm2      8.262 CV     1
 ASSI { 1749}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.700     1.700     1.700 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.36907E-03 ppm1      7.848 ppm2      4.364 CV     1
 ASSI { 1759}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      5.000     3.100     1.000 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.30381E-03 ppm1      7.848 ppm2      8.423 CV     1
 ASSI { 1777}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      3.000     1.100     1.100 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.22479E-02 ppm1      8.108 ppm2      8.432 CV     1
 ASSI { 1779}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 126  and name HH2 ))
      3.700     1.700     1.700 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.72701E-03 ppm1      8.108 ppm2      7.130 CV     1
 ASSI { 1780}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 126  and name HZ3 ))
      5.000     3.100     1.000 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.16606E-03 ppm1      8.110 ppm2      6.813 CV     1
 ASSI { 1781}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 114  and name HD1%)
      6.000     4.600     0.000 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.32075E-03 ppm1      8.431 ppm2      0.785 CV     1
 ASSI { 1784}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 113  and name HB3 ))
      5.500     3.800     0.500 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.12343E-03 ppm1      8.427 ppm2      3.047 CV     1
 OR { 1784}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
 ASSI { 1785}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 112  and name HB3 ))
      5.100     3.300     0.900 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.33173E-03 ppm1      8.430 ppm2      2.855 CV     1
 OR { 1785}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 112  and name HB2 ))
 ASSI { 1795}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB3 ))
      2.500     0.800     0.800 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.78336E-02 ppm1      8.432 ppm2      1.964 CV     1
 OR { 1795}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
 ASSI { 1799}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      2.600     0.900     0.900 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.45079E-02 ppm1      8.431 ppm2      7.896 CV     1
 ASSI { 1800}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      4.700     2.800     1.300 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.48773E-03 ppm1      7.896 ppm2      1.503 CV     1
 OR { 1800}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 108  and name HB3 ))
 ASSI { 1802}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 110  and name HE2 ))
      5.000     3.100     1.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.32463E-03 ppm1      7.896 ppm2      2.521 CV     1
 OR { 1802}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 110  and name HE3 ))
 ASSI { 1803}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
      4.500     2.600     1.500 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.61250E-03 ppm1      7.896 ppm2      3.044 CV     1
 OR { 1803}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 113  and name HB3 ))
 ASSI { 1808}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 108  and name HD1%)
      5.200     3.400     0.800 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.20894E-03 ppm1      7.897 ppm2      1.062 CV     1
 ASSI { 1809}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 108  and name HD2%)
      5.300     3.600     0.700 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.40284E-03 ppm1      7.897 ppm2      0.876 CV     1
 ASSI { 1813}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      4.500     2.500     1.500 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.33699E-03 ppm1      7.895 ppm2      8.112 CV     1
 ASSI { 1814}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      3.200     1.300     1.300 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.15040E-02 ppm1      7.897 ppm2      3.732 CV     1
 ASSI { 1822}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 115  and name HN  ))
      4.700     2.700     1.300 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.24895E-03 ppm1      7.895 ppm2      7.041 CV     1
 ASSI { 1823}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      5.500     3.800     0.500 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.17370E-03 ppm1      7.896 ppm2      7.696 CV     1
 ASSI { 1829}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 126  and name HE3 ))
      5.700     4.100     0.300 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.14897E-03 ppm1      8.425 ppm2      6.246 CV     1
 ASSI { 1838}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      4.600     2.600     1.400 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.28940E-03 ppm1      8.422 ppm2      8.103 CV     1
 ASSI { 1839}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      3.800     1.800     1.800 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.71121E-03 ppm1      8.423 ppm2      3.727 CV     1
 ASSI { 1842}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      3.200     1.300     1.300 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.17199E-02 ppm1      8.424 ppm2      4.154 CV     1
 ASSI { 1844}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      2.400     0.700     0.700 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.57865E-02 ppm1      8.422 ppm2      7.897 CV     1
 ASSI { 1848}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 113  and name HD% )
      4.400     2.400     1.600 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.11209E-02 ppm1      8.422 ppm2      7.281 CV     1
 ASSI { 1851}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 114  and name HN  ))
      2.400     0.700     0.700 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.45084E-02 ppm1      8.423 ppm2      8.498 CV     1
 ASSI { 1854}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 126  and name HE3 ))
      6.000     4.900     0.000 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.10282E-03 ppm1      8.484 ppm2      6.231 CV     1
 ASSI { 1856}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HB3 ))
      2.900     1.000     1.000 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.14183E-02 ppm1      8.487 ppm2      3.004 CV     1
 OR { 1856}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
 ASSI { 1858}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 110  and name HE2 ))
      4.900     3.000     1.100 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.28869E-03 ppm1      8.484 ppm2      2.512 CV     1
 OR { 1858}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 110  and name HE3 ))
 ASSI { 1861}
   (( segid "    " and resid 114  and name HN  ))
   (  segid "    " and resid 108  and name HD1%)
      6.000     5.100     0.000 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.19105E-03 ppm1      8.484 ppm2      1.065 CV     1
 ASSI { 1862}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 116  and name HB3 ))
      4.400     2.400     1.600 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.36439E-03 ppm1      8.484 ppm2      0.656 CV     1
 OR { 1862}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 116  and name HB2 ))
 ASSI { 1863}
   (( segid "    " and resid 114  and name HN  ))
   (  segid "    " and resid 116  and name HD1%)
      6.000     4.600     0.000 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.12055E-03 ppm1      8.483 ppm2      0.301 CV     1
 ASSI { 1864}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 110  and name HG3 ))
      5.200     3.400     0.800 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.25453E-03 ppm1      8.485 ppm2     -0.279 CV     1
 OR { 1864}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
 ASSI { 1865}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      3.500     1.500     1.500 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.13337E-02 ppm1      8.484 ppm2      3.733 CV     1
 ASSI { 1867}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      4.000     2.000     2.000 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.59857E-03 ppm1      8.485 ppm2      4.142 CV     1
 ASSI { 1869}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      3.900     1.900     1.900 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.50355E-03 ppm1      8.483 ppm2      7.900 CV     1
 ASSI { 1871}
   (( segid "    " and resid 114  and name HN  ))
   (  segid "    " and resid 113  and name HD% )
      3.600     1.600     1.600 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.12300E-02 ppm1      8.485 ppm2      7.282 CV     1
 ASSI { 1872}
   (( segid "    " and resid 114  and name HN  ))
   (  segid "    " and resid 113  and name HE% )
      6.000     5.100     0.000 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.12521E-03 ppm1      8.490 ppm2      7.784 CV     1
 ASSI { 1880}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HG  ))
      2.100     0.500     0.500 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.59261E-02 ppm1      8.484 ppm2      1.926 CV     1
 ASSI { 1882}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 115  and name HN  ))
      2.400     0.700     0.700 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.32070E-02 ppm1      8.485 ppm2      7.040 CV     1
 ASSI { 1883}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      4.000     2.000     2.000 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.39561E-03 ppm1      8.486 ppm2      7.681 CV     1
 ASSI { 1884}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
      5.100     3.200     0.900 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.24940E-03 ppm1      8.484 ppm2      7.161 CV     1
 ASSI { 1886}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 113  and name HD% )
      5.300     3.500     0.700 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.19792E-03 ppm1      7.040 ppm2      7.292 CV     1
 ASSI { 1888}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      4.900     3.100     1.100 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.39252E-03 ppm1      7.040 ppm2      3.797 CV     1
 ASSI { 1889}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      4.000     2.000     2.000 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.30604E-03 ppm1      7.042 ppm2      3.730 CV     1
 ASSI { 1895}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      3.700     1.700     1.700 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.71034E-03 ppm1      7.040 ppm2      8.425 CV     1
 ASSI { 1897}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      3.000     1.200     1.200 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.15694E-02 ppm1      7.040 ppm2      3.955 CV     1
 ASSI { 1900}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 114  and name HD1%)
      5.900     4.300     0.100 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.22752E-03 ppm1      7.038 ppm2      0.760 CV     1
 ASSI { 1904}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HB3 ))
      2.300     0.600     0.600 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.81482E-02 ppm1      7.041 ppm2      2.050 CV     1
 OR { 1904}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
 ASSI { 1910}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 116  and name HD1%)
      5.800     4.200     0.200 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.28154E-03 ppm1      7.043 ppm2      0.304 CV     1
 ASSI { 1911}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 116  and name HD2%)
      5.500     3.800     0.500 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.30972E-03 ppm1      7.039 ppm2      0.507 CV     1
 ASSI { 1913}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      2.300     0.700     0.700 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.46521E-02 ppm1      7.041 ppm2      7.684 CV     1
 ASSI { 1914}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
      4.500     2.500     1.500 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.82314E-03 ppm1      7.040 ppm2      7.165 CV     1
 ASSI { 1917}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 97   and name HE2 ))
      6.000     5.200     0.000 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.97201E-04 ppm1      7.681 ppm2      2.992 CV     1
 OR { 1917}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 97   and name HE3 ))
 ASSI { 1918}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      6.000     4.400     0.000 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.15118E-03 ppm1      7.685 ppm2      4.889 CV     1
 ASSI { 1920}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 113  and name HZ  ))
      5.700     4.000     0.300 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.46862E-03 ppm1      7.682 ppm2      7.568 CV     1
 ASSI { 1922}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      2.900     1.100     1.100 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.16465E-02 ppm1      7.682 ppm2      3.954 CV     1
 ASSI { 1924}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 114  and name HD2%)
      4.900     3.000     1.100 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.39265E-03 ppm1      7.680 ppm2      0.845 CV     1
 ASSI { 1927}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HB3 ))
      3.300     1.300     1.300 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.17827E-02 ppm1      7.683 ppm2      2.051 CV     1
 OR { 1927}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
 ASSI { 1940}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 97   and name HE2 ))
      3.700     1.700     1.700 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.10080E-03 ppm1      7.167 ppm2      2.977 CV     1
 OR { 1940}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 97   and name HE3 ))
 ASSI { 1941}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      4.700     2.700     1.300 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.24975E-03 ppm1      7.165 ppm2      4.333 CV     1
 ASSI { 1942}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 98   and name HZ  ))
      4.900     3.100     1.100 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.39520E-03 ppm1      7.166 ppm2      6.645 CV     1
 ASSI { 1943}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 122  and name HN  ))
      5.200     3.400     0.800 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.14032E-03 ppm1      7.163 ppm2      7.934 CV     1
 ASSI { 1944}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 113  and name HE% )
      5.700     4.100     0.300 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.12787E-03 ppm1      7.164 ppm2      7.813 CV     1
 ASSI { 1947}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 114  and name HD2%)
      4.800     2.900     1.200 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.45385E-03 ppm1      7.167 ppm2      0.833 CV     1
 ASSI { 1948}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      3.800     1.800     1.800 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.10032E-02 ppm1      7.166 ppm2      4.125 CV     1
 ASSI { 1952}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 116  and name HD1%)
      2.800     2.800     3.200 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.50778E-03 ppm1      7.167 ppm2      0.299 CV     1
 ASSI { 1953}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 116  and name HD2%)
      3.600     1.600     1.600 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.67153E-03 ppm1      7.165 ppm2      0.511 CV     1
 ASSI { 1954}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HG  ))
      3.600     1.600     1.600 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.88987E-03 ppm1      7.166 ppm2      1.592 CV     1
 ASSI { 1955}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      2.200     0.600     0.600 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.61711E-02 ppm1      7.166 ppm2      7.683 CV     1
 ASSI { 1957}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 117  and name HB% )
      2.400     0.700     0.700 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.60077E-02 ppm1      7.166 ppm2      1.174 CV     1
 ASSI { 1959}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      4.800     2.900     1.200 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.15994E-03 ppm1      7.168 ppm2      4.565 CV     1
 ASSI { 1962}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      5.100     3.200     0.900 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.14837E-03 ppm1      7.161 ppm2      8.595 CV     1
 ASSI { 1965}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.11723E-03 ppm1      8.581 ppm2      8.053 CV     1
 ASSI { 1974}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.700     0.900     0.900 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.41564E-02 ppm1      8.586 ppm2      4.293 CV     1
 ASSI { 1978}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
      5.800     4.300     0.200 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.13726E-03 ppm1      8.581 ppm2      8.190 CV     1
 ASSI { 1979}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 124  and name HB  ))
      5.900     4.300     0.100 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.24145E-03 ppm1      8.638 ppm2      1.852 CV     1
 ASSI { 1980}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 123  and name HB3 ))
      4.700     2.700     1.300 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.36645E-03 ppm1      8.636 ppm2      2.694 CV     1
 OR { 1980}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
 ASSI { 1981}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      6.000     4.900     0.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.10368E-03 ppm1      8.630 ppm2      3.628 CV     1
 ASSI { 1987}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      2.400     0.700     0.700 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.73655E-02 ppm1      8.637 ppm2      4.383 CV     1
 ASSI { 1988}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB3 ))
      3.000     1.100     1.100 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.19215E-02 ppm1      8.637 ppm2      3.430 CV     1
 OR { 1988}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
 ASSI { 1991}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HB  ))
      5.700     4.100     0.300 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.20099E-03 ppm1      8.638 ppm2      2.013 CV     1
 ASSI { 1992}
   (( segid "    " and resid 120  and name HN  ))
   (  segid "    " and resid 121  and name HG1%)
      6.000     5.500     0.000 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.20813E-03 ppm1      8.636 ppm2      0.833 CV     1
 ASSI { 1993}
   (( segid "    " and resid 120  and name HN  ))
   (  segid "    " and resid 121  and name HG2%)
      5.500     3.800     0.500 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.28999E-03 ppm1      8.639 ppm2      1.091 CV     1
 ASSI { 1994}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
      2.800     1.000     1.000 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.13476E-02 ppm1      8.637 ppm2      8.176 CV     1
 ASSI { 1997}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      4.400     2.400     1.600 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.31132E-03 ppm1      8.638 ppm2      8.029 CV     1
 ASSI { 2005}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 90   and name HD1%)
      6.000     5.500     0.000 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.12952E-03 ppm1      8.177 ppm2      0.710 CV     1
 ASSI { 2006}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      5.600     3.900     0.400 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.35284E-03 ppm1      8.181 ppm2      0.578 CV     1
 ASSI { 2015}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 120  and name HD% )
      4.800     2.900     1.200 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.38623E-03 ppm1      8.180 ppm2      7.279 CV     1
 ASSI { 2026}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      5.500     3.800     0.500 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.15625E-03 ppm1      8.175 ppm2      7.671 CV     1
 ASSI { 2028}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      4.300     2.300     1.700 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.42631E-03 ppm1      7.940 ppm2      1.816 CV     1
 OR { 2028}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 118  and name HB3 ))
 ASSI { 2029}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 123  and name HB3 ))
      5.300     3.600     0.700 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.26614E-03 ppm1      7.940 ppm2      2.700 CV     1
 OR { 2029}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
 ASSI { 2030}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      4.900     3.000     1.100 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.32449E-03 ppm1      7.942 ppm2      3.946 CV     1
 ASSI { 2031}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 113  and name HD% )
      6.000     4.600     0.000 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.14087E-03 ppm1      7.939 ppm2      7.258 CV     1
 ASSI { 2034}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 113  and name HE% )
      4.500     2.500     1.500 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.74273E-03 ppm1      7.940 ppm2      7.805 CV     1
 ASSI { 2040}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 120  and name HB3 ))
      5.200     3.400     0.800 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.17335E-03 ppm1      7.944 ppm2      3.423 CV     1
 ASSI { 2041}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      4.300     2.300     1.700 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.50047E-03 ppm1      7.940 ppm2      8.636 CV     1
 ASSI { 2042}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      3.200     1.300     1.300 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.11660E-02 ppm1      7.941 ppm2      3.633 CV     1
 ASSI { 2043}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HB  ))
      2.200     0.600     0.600 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.36761E-02 ppm1      7.941 ppm2      2.006 CV     1
 ASSI { 2044}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 121  and name HG1%)
      3.100     1.200     1.200 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.22562E-02 ppm1      7.940 ppm2      0.829 CV     1
 ASSI { 2046}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
      2.400     0.700     0.700 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.39569E-02 ppm1      7.940 ppm2      8.179 CV     1
 ASSI { 2050}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      2.700     0.900     0.900 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.26410E-02 ppm1      7.939 ppm2      8.029 CV     1
 ASSI { 2056}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 124  and name HB  ))
      4.500     2.500     1.500 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.54394E-03 ppm1      8.025 ppm2      1.842 CV     1
 ASSI { 2057}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 121  and name HB  ))
      5.100     3.200     0.900 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.20434E-03 ppm1      8.028 ppm2      1.992 CV     1
 ASSI { 2058}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 126  and name HB3 ))
      5.800     4.200     0.200 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.15708E-03 ppm1      8.025 ppm2      3.260 CV     1
 OR { 2058}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
 ASSI { 2061}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 113  and name HE% )
      5.900     4.300     0.100 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.13118E-03 ppm1      8.026 ppm2      7.804 CV     1
 ASSI { 2064}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      4.700     2.700     1.300 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.23997E-03 ppm1      8.025 ppm2      8.372 CV     1
 ASSI { 2067}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      4.400     2.500     1.600 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.42943E-03 ppm1      8.028 ppm2      3.631 CV     1
 ASSI { 2068}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 121  and name HG1%)
      3.400     1.500     1.500 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.25255E-02 ppm1      8.027 ppm2      0.841 CV     1
 ASSI { 2070}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
      3.300     1.400     1.400 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.97936E-03 ppm1      8.026 ppm2      8.154 CV     1
 ASSI { 2077}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      2.500     0.800     0.800 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.42057E-02 ppm1      8.027 ppm2      7.452 CV     1
 ASSI { 2078}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      4.100     2.100     1.900 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.59310E-03 ppm1      8.026 ppm2      7.659 CV     1
 ASSI { 2079}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     5.100     0.000 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.13660E-03 ppm1      8.025 ppm2      7.098 CV     1
 ASSI { 2080}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 126  and name HN  ))
      4.600     2.600     1.400 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.27001E-03 ppm1      8.027 ppm2      8.921 CV     1
 ASSI { 2081}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 124  and name HG2%)
      3.600     1.600     1.600 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.27365E-02 ppm1      7.454 ppm2      0.598 CV     1
 OR { 2081}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 124  and name HD1%)
 ASSI { 2085}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 126  and name HB3 ))
      5.600     3.900     0.400 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.11774E-03 ppm1      7.453 ppm2      3.261 CV     1
 OR { 2085}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
 ASSI { 2089}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 113  and name HE% )
      4.800     2.900     1.200 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.35246E-03 ppm1      7.456 ppm2      7.797 CV     1
 ASSI { 2090}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      3.500     3.500     2.500 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.13750E-03 ppm1      7.453 ppm2      8.611 CV     1
 ASSI { 2091}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 45   and name HE% )
      5.700     4.000     0.300 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.10675E-03 ppm1      7.456 ppm2      2.057 CV     1
 ASSI { 2092}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      3.200     1.300     1.300 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.14978E-02 ppm1      7.453 ppm2      4.384 CV     1
 ASSI { 2094}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 121  and name HG1%)
      4.600     2.700     1.400 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.58657E-03 ppm1      7.455 ppm2      0.818 CV     1
 ASSI { 2095}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
      4.400     2.400     1.600 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.24932E-03 ppm1      7.455 ppm2      8.161 CV     1
 ASSI { 2097}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 122  and name HN  ))
      3.800     1.800     1.800 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.68733E-03 ppm1      7.455 ppm2      7.942 CV     1
 ASSI { 2106}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      2.500     0.800     0.800 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.45052E-02 ppm1      7.454 ppm2      7.652 CV     1
 ASSI { 2107}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 126  and name HN  ))
      3.700     1.700     1.700 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.55125E-03 ppm1      7.453 ppm2      8.907 CV     1
 ASSI { 2109}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 126  and name HB3 ))
      5.000     3.100     1.000 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.34119E-03 ppm1      7.650 ppm2      3.261 CV     1
 OR { 2109}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
 ASSI { 2111}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 113  and name HE% )
      4.000     2.000     2.000 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.10187E-02 ppm1      7.652 ppm2      7.782 CV     1
 ASSI { 2113}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      4.400     2.400     1.600 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.30308E-03 ppm1      7.651 ppm2      3.629 CV     1
 ASSI { 2114}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 121  and name HG1%)
      3.600     1.600     1.600 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.59608E-03 ppm1      7.654 ppm2      0.838 CV     1
 ASSI { 2127}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      2.200     0.600     0.600 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.66527E-02 ppm1      7.652 ppm2      1.817 CV     1
 ASSI { 2130}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 127  and name HN  ))
      3.500     1.500     1.500 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.10613E-02 ppm1      7.651 ppm2      7.925 CV     1
 ASSI { 2131}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      2.700     2.700     3.300 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.61828E-03 ppm1      8.904 ppm2      0.566 CV     1
 ASSI { 2134}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
      5.500     3.800     0.500 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.34379E-03 ppm1      8.905 ppm2      2.522 CV     1
 OR { 2134}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HG3 ))
 ASSI { 2136}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 98   and name HE% )
      3.900     1.900     1.900 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.98594E-04 ppm1      8.904 ppm2      6.974 CV     1
 ASSI { 2139}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      3.700     1.700     1.700 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.57754E-03 ppm1      8.904 ppm2      3.911 CV     1
 ASSI { 2141}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      3.000     1.100     1.100 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.16815E-02 ppm1      8.905 ppm2      4.371 CV     1
 ASSI { 2144}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
      4.900     3.000     1.100 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.41675E-03 ppm1      8.905 ppm2      0.326 CV     1
 ASSI { 2145}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      4.200     2.200     1.800 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.77447E-03 ppm1      8.904 ppm2      1.812 CV     1
 ASSI { 2146}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      2.500     0.800     0.800 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.33308E-02 ppm1      8.904 ppm2      7.652 CV     1
 ASSI { 2148}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HB3 ))
      2.300     0.600     0.600 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.69777E-02 ppm1      8.905 ppm2      3.264 CV     1
 OR { 2148}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
 ASSI { 2150}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HE3 ))
      4.900     3.000     1.100 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.41564E-03 ppm1      8.904 ppm2      6.244 CV     1
 ASSI { 2152}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HN  ))
      2.500     0.800     0.800 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.38924E-02 ppm1      8.905 ppm2      7.939 CV     1
 ASSI { 2154}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      4.400     2.400     1.600 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.28636E-03 ppm1      8.903 ppm2      8.053 CV     1
 ASSI { 2156}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 127  and name HG2 ))
      3.900     1.900     1.900 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.65888E-03 ppm1      9.813 ppm2      2.524 CV     1
 OR { 2156}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 127  and name HG3 ))
 ASSI { 2157}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 110  and name HA  ))
      4.700     2.800     1.300 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.36992E-03 ppm1      9.813 ppm2      2.180 CV     1
 ASSI { 2159}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 110  and name HB2 ))
      3.500     1.500     1.500 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.90504E-03 ppm1      9.813 ppm2      0.966 CV     1
 OR { 2159}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 110  and name HB3 ))
 ASSI { 2160}
   (( segid "    " and resid 126  and name HE1 ))
   (  segid "    " and resid 114  and name HD2%)
      5.400     3.700     0.600 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.15344E-03 ppm1      9.815 ppm2      0.835 CV     1
 ASSI { 2163}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 110  and name HN  ))
      5.200     3.400     0.800 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.26235E-03 ppm1      9.813 ppm2      8.113 CV     1
 ASSI { 2168}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 126  and name HA  ))
      5.400     3.700     0.600 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.13476E-03 ppm1      9.813 ppm2      3.743 CV     1
 ASSI { 2169}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 126  and name HB3 ))
      4.800     2.900     1.200 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.43884E-03 ppm1      9.813 ppm2      3.262 CV     1
 OR { 2169}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 126  and name HB2 ))
 ASSI { 2172}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 126  and name HE3 ))
      5.300     3.500     0.700 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.96627E-04 ppm1      9.816 ppm2      6.236 CV     1
 ASSI { 2175}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 126  and name HZ3 ))
      5.900     4.300     0.100 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.11385E-03 ppm1      9.815 ppm2      6.798 CV     1
 ASSI { 2176}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 127  and name HA  ))
      4.500     2.500     1.500 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.31913E-03 ppm1      9.813 ppm2      3.901 CV     1
 ASSI { 2178}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 130  and name HA  ))
      5.900     4.400     0.100 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.10921E-03 ppm1      9.814 ppm2      3.478 CV     1
 ASSI { 2179}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 130  and name HB2 ))
      3.100     1.200     1.200 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.20840E-02 ppm1      9.813 ppm2      1.751 CV     1
 OR { 2179}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 130  and name HB3 ))
 ASSI { 2185}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      4.700     2.800     1.300 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.43499E-03 ppm1      7.939 ppm2      2.821 CV     1
 OR { 2185}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 128  and name HB3 ))
 ASSI { 2186}
   (( segid "    " and resid 127  and name HN  ))
   (  segid "    " and resid 45   and name HE% )
      5.700     4.100     0.300 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.13355E-03 ppm1      7.947 ppm2      2.073 CV     1
 ASSI { 2191}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      3.800     1.800     1.800 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.93803E-03 ppm1      7.939 ppm2      4.391 CV     1
 ASSI { 2193}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      3.900     1.900     1.900 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.50624E-03 ppm1      7.942 ppm2      7.420 CV     1
 ASSI { 2197}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      3.200     1.300     1.300 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.12166E-02 ppm1      7.939 ppm2      3.747 CV     1
 ASSI { 2198}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 126  and name HB3 ))
      2.500     0.800     0.800 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.38162E-02 ppm1      7.941 ppm2      3.261 CV     1
 OR { 2198}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
 ASSI { 2200}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 126  and name HE3 ))
      5.300     3.600     0.700 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.21525E-03 ppm1      7.941 ppm2      6.240 CV     1
 ASSI { 2202}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      2.600     0.800     0.800 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.48523E-02 ppm1      7.941 ppm2      3.899 CV     1
 ASSI { 2204}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
      3.400     1.400     1.400 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.40807E-02 ppm1      7.941 ppm2      2.524 CV     1
 OR { 2204}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 127  and name HG3 ))
 ASSI { 2206}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      3.400     1.400     1.400 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.84409E-03 ppm1      7.944 ppm2      8.056 CV     1
 ASSI { 2215}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 80   and name HE1 ))
      6.000     4.400     0.000 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.24780E-03 ppm1      7.902 ppm2     11.696 CV     1
 ASSI { 2216}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 124  and name HG2%)
      3.100     1.200     1.200 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.32316E-03 ppm1      7.902 ppm2      0.607 CV     1
 ASSI { 2218}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      3.000     1.100     1.100 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.11669E-02 ppm1      7.901 ppm2      4.343 CV     1
 ASSI { 2220}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
      5.000     3.100     1.000 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.24373E-03 ppm1      7.902 ppm2      0.326 CV     1
 ASSI { 2221}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      2.700     2.700     3.300 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.70449E-03 ppm1      7.906 ppm2      1.813 CV     1
 ASSI { 2222}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 126  and name HB3 ))
      4.400     2.400     1.600 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.60145E-03 ppm1      7.903 ppm2      3.251 CV     1
 OR { 2222}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
 ASSI { 2223}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 126  and name HN  ))
      4.700     2.800     1.300 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.24492E-03 ppm1      7.898 ppm2      8.890 CV     1
 ASSI { 2224}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      3.300     1.400     1.400 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.15850E-02 ppm1      7.903 ppm2      3.886 CV     1
 ASSI { 2226}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HG3 ))
      4.400     2.400     1.600 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.12503E-02 ppm1      7.901 ppm2      2.519 CV     1
 OR { 2226}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
 ASSI { 2227}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
      2.500     0.800     0.800 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.24924E-02 ppm1      7.903 ppm2      3.809 CV     1
 ASSI { 2230}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HD2 ))
      4.900     3.000     1.100 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.42049E-03 ppm1      7.901 ppm2      6.383 CV     1
 ASSI { 2232}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      2.400     0.700     0.700 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.32384E-02 ppm1      7.896 ppm2      8.068 CV     1
 ASSI { 2233}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      4.200     2.200     1.800 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.53692E-03 ppm1      7.898 ppm2      7.677 CV     1
 ASSI { 2234}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
      3.700     1.700     1.700 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.11096E-03 ppm1      8.073 ppm2      0.321 CV     1
 ASSI { 2236}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 105  and name HD1%)
      6.000     4.500     0.000 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.32371E-03 ppm1      8.071 ppm2      1.416 CV     1
 ASSI { 2237}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 130  and name HB2 ))
      4.600     2.700     1.400 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.58489E-03 ppm1      8.073 ppm2      1.749 CV     1
 OR { 2237}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 130  and name HB3 ))
 ASSI { 2242}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 80   and name HZ2 ))
      2.400     0.700     0.700 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.17494E-02 ppm1      8.072 ppm2      7.788 CV     1
 ASSI { 2243}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 113  and name HZ  ))
      5.800     4.200     0.200 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.15761E-03 ppm1      8.072 ppm2      7.572 CV     1
 ASSI { 2244}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      2.300     2.300     3.700 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.15969E-02 ppm1      8.074 ppm2      1.166 CV     1
 ASSI { 2245}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      3.500     1.500     1.500 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.52632E-03 ppm1      8.071 ppm2      4.341 CV     1
 ASSI { 2249}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      4.000     2.000     2.000 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.41661E-03 ppm1      8.072 ppm2      3.891 CV     1
 ASSI { 2253}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HD2 ))
      4.900     3.100     1.100 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.20232E-03 ppm1      8.072 ppm2      6.386 CV     1
 ASSI { 2260}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 130  and name HN  ))
      2.300     0.700     0.700 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.63226E-02 ppm1      8.072 ppm2      7.920 CV     1
 ASSI { 2261}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      3.900     1.900     1.900 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.43271E-03 ppm1      8.072 ppm2      7.684 CV     1
 ASSI { 2263}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 133  and name HE22))
      6.000     4.400     0.000 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.17038E-03 ppm1      8.071 ppm2      6.006 CV     1
 ASSI { 2266}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HB3 ))
      3.200     1.300     1.300 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.72861E-03 ppm1      7.930 ppm2      2.311 CV     1
 OR { 2266}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
 ASSI { 2271}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      5.300     3.600     0.700 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.16596E-03 ppm1      7.923 ppm2      7.406 CV     1
 ASSI { 2273}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      3.000     1.100     1.100 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.19154E-02 ppm1      7.927 ppm2      3.892 CV     1
 ASSI { 2274}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
      4.700     2.800     1.300 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.45266E-03 ppm1      7.929 ppm2      2.528 CV     1
 OR { 2274}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 127  and name HG3 ))
 ASSI { 2275}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
      3.200     1.300     1.300 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.11635E-02 ppm1      7.930 ppm2      3.249 CV     1
 ASSI { 2280}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HG  ))
      3.700     1.700     1.700 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.99787E-03 ppm1      7.932 ppm2      1.195 CV     1
 ASSI { 2286}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      2.400     0.700     0.700 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.35655E-02 ppm1      7.932 ppm2      7.677 CV     1
 ASSI { 2287}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 132  and name HN  ))
      4.400     2.400     1.600 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.31349E-03 ppm1      7.931 ppm2      8.366 CV     1
 ASSI { 2289}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 133  and name HE22))
      4.500     2.500     1.500 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.34078E-03 ppm1      7.933 ppm2      6.006 CV     1
 ASSI { 2290}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 133  and name HN  ))
      4.500     2.600     1.500 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.29227E-03 ppm1      7.932 ppm2      7.302 CV     1
 ASSI { 2292}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 127  and name HG3 ))
      5.200     3.400     0.800 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.25305E-03 ppm1      7.678 ppm2      2.526 CV     1
 OR { 2292}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
 ASSI { 2293}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 127  and name HB3 ))
      4.500     2.500     1.500 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.22834E-03 ppm1      7.677 ppm2      2.308 CV     1
 ASSI { 2295}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      4.600     2.600     1.400 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.23682E-03 ppm1      7.681 ppm2      7.404 CV     1
 ASSI { 2296}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 80   and name HZ2 ))
      4.700     2.800     1.300 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.49724E-03 ppm1      7.678 ppm2      7.806 CV     1
 ASSI { 2298}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 131  and name HD1%)
      2.600     0.800     0.800 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.38024E-02 ppm1      7.679 ppm2      0.989 CV     1
 OR { 2298}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 2301}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HD2 ))
      4.900     3.000     1.100 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.42257E-03 ppm1      7.677 ppm2      6.381 CV     1
 ASSI { 2302}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
      4.100     2.100     1.900 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.34043E-03 ppm1      7.678 ppm2      3.248 CV     1
 ASSI { 2314}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 132  and name HD1%)
      4.900     3.000     1.100 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.22945E-03 ppm1      7.677 ppm2     -0.080 CV     1
 ASSI { 2315}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 132  and name HN  ))
      2.400     0.700     0.700 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.37409E-02 ppm1      7.679 ppm2      8.362 CV     1
 ASSI { 2317}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 69   and name HG3 ))
      4.600     2.700     1.400 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.36303E-03 ppm1      8.364 ppm2      0.777 CV     1
 OR { 2317}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
 ASSI { 2321}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 134  and name HG2 ))
      5.800     4.100     0.200 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.15575E-03 ppm1      8.364 ppm2      1.623 CV     1
 OR { 2321}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 134  and name HG3 ))
 ASSI { 2323}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
      4.200     2.200     1.800 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.52223E-03 ppm1      8.363 ppm2      3.806 CV     1
 ASSI { 2326}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      4.500     2.500     1.500 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.28164E-03 ppm1      8.363 ppm2      8.075 CV     1
 ASSI { 2329}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 129  and name HD1%)
      5.000     3.100     1.000 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.27910E-03 ppm1      8.363 ppm2      0.110 CV     1
 ASSI { 2330}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 130  and name HA  ))
      3.800     1.800     1.800 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.62654E-03 ppm1      8.363 ppm2      3.475 CV     1
 ASSI { 2334}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      2.600     0.900     0.900 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.31590E-02 ppm1      8.363 ppm2      3.936 CV     1
 ASSI { 2338}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 132  and name HG  ))
      1.800     0.400     0.400 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.55334E-02 ppm1      8.363 ppm2      1.318 CV     1
 ASSI { 2340}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HE22))
      6.000     4.400     0.000 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.10924E-03 ppm1      8.364 ppm2      6.006 CV     1
 ASSI { 2341}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HN  ))
      2.500     0.800     0.800 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.29173E-02 ppm1      8.363 ppm2      7.321 CV     1
 ASSI { 2342}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      3.900     1.900     1.900 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.50250E-03 ppm1      8.362 ppm2      7.404 CV     1
 ASSI { 2343}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      5.300     3.600     0.700 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.32211E-03 ppm1      7.322 ppm2      4.201 CV     1
 ASSI { 2344}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 69   and name HD3 ))
      4.000     2.000     2.000 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.31856E-03 ppm1      7.325 ppm2      3.392 CV     1
 OR { 2344}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 69   and name HD2 ))
 ASSI { 2345}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 132  and name HB3 ))
      3.000     1.100     1.100 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.14208E-02 ppm1      7.323 ppm2      0.998 CV     1
 OR { 2345}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 132  and name HB2 ))
 ASSI { 2346}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 69   and name HG3 ))
      4.000     2.000     2.000 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.44382E-03 ppm1      7.322 ppm2      0.781 CV     1
 OR { 2346}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
 ASSI { 2349}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 128  and name HD2 ))
      3.700     1.700     1.700 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.11087E-03 ppm1      7.325 ppm2      6.373 CV     1
 ASSI { 2350}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
      4.200     2.200     1.800 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.47981E-03 ppm1      7.323 ppm2      3.245 CV     1
 ASSI { 2351}
   (( segid "    " and resid 133  and name HN  ))
   (  segid "    " and resid 129  and name HD1%)
      4.900     2.900     1.100 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.24751E-03 ppm1      7.323 ppm2      0.106 CV     1
 ASSI { 2352}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 129  and name HG  ))
      5.400     3.600     0.600 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.27739E-03 ppm1      7.325 ppm2      1.223 CV     1
 ASSI { 2353}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 130  and name HA  ))
      3.300     1.300     1.300 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.14061E-02 ppm1      7.322 ppm2      3.475 CV     1
 ASSI { 2354}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      4.000     2.000     2.000 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.55087E-03 ppm1      7.323 ppm2      3.639 CV     1
 ASSI { 2355}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      3.700     1.700     1.700 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.58665E-03 ppm1      7.322 ppm2      7.679 CV     1
 ASSI { 2357}
   (( segid "    " and resid 133  and name HN  ))
   (  segid "    " and resid 132  and name HD1%)
      4.300     2.300     1.700 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.46970E-03 ppm1      7.323 ppm2     -0.084 CV     1
 ASSI { 2358}
   (( segid "    " and resid 133  and name HN  ))
   (  segid "    " and resid 132  and name HD2%)
      2.800     2.800     3.200 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.58483E-03 ppm1      7.322 ppm2      0.895 CV     1
 ASSI { 2359}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 132  and name HG  ))
      4.200     2.200     1.800 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.65777E-03 ppm1      7.322 ppm2      1.322 CV     1
 ASSI { 2361}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      2.600     0.900     0.900 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.41135E-02 ppm1      7.323 ppm2      3.920 CV     1
 ASSI { 2365}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 133  and name HE22))
      4.600     2.600     1.400 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.76449E-03 ppm1      7.323 ppm2      6.003 CV     1
 ASSI { 2369}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 135  and name HN  ))
      4.300     2.300     1.700 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.36994E-03 ppm1      7.323 ppm2      7.957 CV     1
 ASSI { 2370}
   (( segid "    " and resid 133  and name HE21))
   (( segid "    " and resid 126  and name HZ3 ))
      4.800     2.900     1.200 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.47239E-03 ppm1      6.671 ppm2      6.797 CV     1
 ASSI { 2372}
   (( segid "    " and resid 133  and name HE21))
   (( segid "    " and resid 126  and name HH2 ))
      5.000     3.200     1.000 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.19607E-03 ppm1      6.673 ppm2      7.122 CV     1
 ASSI { 2375}
   (( segid "    " and resid 133  and name HE21))
   (( segid "    " and resid 106  and name HB2 ))
      2.900     2.900     3.100 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.49239E-03 ppm1      6.672 ppm2      2.672 CV     1
 ASSI { 2378}
   (( segid "    " and resid 133  and name HE22))
   (( segid "    " and resid 126  and name HH2 ))
      4.400     2.400     1.600 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.17544E-03 ppm1      6.006 ppm2      7.116 CV     1
 ASSI { 2382}
   (( segid "    " and resid 133  and name HE22))
   (( segid "    " and resid 106  and name HB2 ))
      3.000     3.000     3.000 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.34444E-03 ppm1      6.005 ppm2      2.673 CV     1
 ASSI { 2383}
   (( segid "    " and resid 133  and name HE22))
   (  segid "    " and resid 108  and name HD1%)
      3.200     3.200     2.800 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.25174E-03 ppm1      6.006 ppm2      1.076 CV     1
 ASSI { 2384}
   (( segid "    " and resid 133  and name HE22))
   (( segid "    " and resid 69   and name HG3 ))
      4.400     2.500     1.600 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.25932E-03 ppm1      6.006 ppm2      0.787 CV     1
 OR { 2384}
   (( segid "    " and resid 133  and name HE22))
   (( segid "    " and resid 69   and name HG2 ))
 ASSI { 2385}
   (( segid "    " and resid 133  and name HE22))
   (( segid "    " and resid 126  and name HZ3 ))
      4.300     2.300     1.700 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.34563E-03 ppm1      6.002 ppm2      6.797 CV     1
 ASSI { 2386}
   (( segid "    " and resid 133  and name HE21))
   (( segid "    " and resid 129  and name HA  ))
      4.600     2.600     1.400 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.18745E-03 ppm1      6.674 ppm2      3.247 CV     1
 ASSI { 2387}
   (( segid "    " and resid 133  and name HE22))
   (( segid "    " and resid 129  and name HA  ))
      4.700     2.800     1.300 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.24763E-03 ppm1      6.005 ppm2      3.246 CV     1
 ASSI { 2392}
   (( segid "    " and resid 133  and name HE21))
   (  segid "    " and resid 129  and name HD1%)
      3.600     1.600     1.600 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.42054E-03 ppm1      6.670 ppm2      0.107 CV     1
 ASSI { 2403}
   (( segid "    " and resid 133  and name HE21))
   (( segid "    " and resid 130  and name HN  ))
      5.200     3.400     0.800 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.14421E-03 ppm1      6.671 ppm2      7.940 CV     1
 ASSI { 2405}
   (( segid "    " and resid 133  and name HE21))
   (( segid "    " and resid 132  and name HA  ))
      4.600     2.600     1.400 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.42100E-03 ppm1      6.673 ppm2      3.966 CV     1
 ASSI { 2410}
   (( segid "    " and resid 133  and name HE22))
   (( segid "    " and resid 133  and name HE21))
      1.500     0.300     0.700 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.22562E-01 ppm1      6.004 ppm2      6.672 CV     1
 ASSI { 2417}
   (( segid "    " and resid 133  and name HE21))
   (( segid "    " and resid 133  and name HN  ))
      2.900     1.100     1.100 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.12195E-02 ppm1      6.678 ppm2      7.336 CV     1
 ASSI { 2422}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 130  and name HA  ))
      3.600     1.600     1.600 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.69969E-03 ppm1      7.397 ppm2      3.483 CV     1
 ASSI { 2424}
   (( segid "    " and resid 134  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      4.300     2.300     1.700 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.60196E-03 ppm1      7.399 ppm2      0.993 CV     1
 ASSI { 2425}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      3.000     1.100     1.100 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.23889E-02 ppm1      7.398 ppm2      3.923 CV     1
 ASSI { 2426}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HE21))
      4.800     2.800     1.200 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.22554E-03 ppm1      7.398 ppm2      6.683 CV     1
 ASSI { 2427}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HE22))
      3.700     3.700     2.300 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.10892E-03 ppm1      7.397 ppm2      6.028 CV     1
 ASSI { 2428}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HN  ))
      2.200     0.600     0.600 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.66598E-02 ppm1      7.398 ppm2      7.313 CV     1
 ASSI { 2433}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HE3 ))
      6.000     5.000     0.000 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.16348E-03 ppm1      7.396 ppm2      2.915 CV     1
 OR { 2433}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HE2 ))
 ASSI { 2438}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      5.000     3.200     1.000 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.24713E-03 ppm1      7.973 ppm2      3.636 CV     1
 ASSI { 2440}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 137  and name HG1%)
      5.000     3.100     1.000 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.21164E-03 ppm1      7.971 ppm2      0.911 CV     1
 OR { 2440}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 137  and name HG2%)
 ASSI { 2441}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      3.600     1.600     1.600 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.70953E-03 ppm1      7.972 ppm2      3.925 CV     1
 ASSI { 2443}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HB2 ))
      3.200     1.300     1.300 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.20784E-02 ppm1      7.972 ppm2      1.840 CV     1
 OR { 2443}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HB3 ))
 ASSI { 2446}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HE3 ))
      5.400     3.700     0.600 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.12908E-03 ppm1      7.971 ppm2      2.923 CV     1
 ASSI { 2447}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HG3 ))
      4.500     2.600     1.500 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.35409E-03 ppm1      7.972 ppm2      1.629 CV     1
 OR { 2447}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI { 2448}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      2.600     0.800     0.800 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.34344E-02 ppm1      7.972 ppm2      7.400 CV     1
 ASSI { 2449}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      2.300     0.700     0.700 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.10430E-01 ppm1      7.972 ppm2      4.197 CV     1
 ASSI { 2456}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      4.900     3.000     1.100 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.10505E-03 ppm1      8.310 ppm2      3.919 CV     1
 ASSI { 2457}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 134  and name HB2 ))
      4.400     2.500     1.600 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.22730E-03 ppm1      8.312 ppm2      1.848 CV     1
 ASSI { 2458}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      5.200     3.400     0.800 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.13638E-03 ppm1      8.313 ppm2      7.401 CV     1
 ASSI { 2460}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      2.700     0.900     0.900 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.59600E-02 ppm1      8.312 ppm2      4.192 CV     1
 ASSI { 2461}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
      3.300     1.400     1.400 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.13774E-02 ppm1      8.312 ppm2      1.987 CV     1
 OR { 2461}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HB3 ))
 ASSI { 2464}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HN  ))
      3.200     1.200     1.200 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.14643E-02 ppm1      8.312 ppm2      7.960 CV     1
 ASSI { 2469}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 137  and name HG1%)
      5.400     3.600     0.600 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.21157E-03 ppm1      8.310 ppm2      0.916 CV     1
 OR { 2469}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 137  and name HG2%)
 ASSI { 2473}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      4.700     2.700     1.300 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.30557E-03 ppm1      7.941 ppm2      7.430 CV     1
 ASSI { 2477}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 135  and name HB3 ))
      3.400     1.500     1.500 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.15786E-03 ppm1      7.938 ppm2      1.981 CV     1
 OR { 2477}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
 ASSI { 2480}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      4.300     2.300     1.700 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.39330E-03 ppm1      7.942 ppm2      4.201 CV     1
 ASSI { 2481}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      2.600     0.900     0.900 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.52356E-02 ppm1      7.943 ppm2      4.605 CV     1
 ASSI { 2484}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HN  ))
      3.400     1.500     1.500 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.92537E-03 ppm1      7.943 ppm2      8.306 CV     1
 ASSI { 2485}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
      3.200     1.300     1.300 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.17296E-02 ppm1      7.936 ppm2      4.082 CV     1
 ASSI { 2486}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HB  ))
      2.900     1.100     1.100 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.25728E-02 ppm1      7.943 ppm2      2.083 CV     1
 ASSI { 2487}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 137  and name HG1%)
      3.100     1.200     1.200 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.25380E-02 ppm1      7.943 ppm2      0.913 CV     1
 OR { 2487}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 137  and name HG2%)
 ASSI {    4}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 29   and name HB3 ))
      4.200     2.200     1.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.49296E-03 ppm1      2.097 ppm2      1.000 CV     1
 OR {    4}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 29   and name HB2 ))
 ASSI {   21}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 34   and name HB  ))
      2.800     1.000     1.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.28628E-02 ppm1      0.918 ppm2      1.000 CV     1
 ASSI {   23}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 34   and name HG1%)
      2.200     2.200     3.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.18790E-02 ppm1      0.957 ppm2      1.000 CV     1
 ASSI {   25}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 34   and name HG1%)
      2.600     0.800     0.800 peak    25 spectrum    1 weight  0.10000E+01 volume  0.73376E-03 ppm1      0.874 ppm2      1.000 CV     1
 ASSI {   29}
   (  segid "    " and resid 49   and name HD1%)
   (  segid "    " and resid 131  and name HG2%)
      4.400     2.400     1.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.10884E-02 ppm1      0.911 ppm2      1.000 CV     1
 ASSI {   34}
   (  segid "    " and resid 49   and name HD2%)
   (  segid "    " and resid 131  and name HG2%)
      4.800     2.800     1.200 peak    34 spectrum    1 weight  0.10000E+01 volume  0.11510E-02 ppm1      0.854 ppm2      1.000 CV     1
 ASSI {   39}
   (  segid "    " and resid 29   and name HE% )
   (  segid "    " and resid 34   and name HG1%)
      2.700     2.700     3.300 peak    39 spectrum    1 weight  0.10000E+01 volume  0.59624E-03 ppm1      2.086 ppm2      1.000 CV     1
 ASSI {   69}
   (  segid "    " and resid 49   and name HD1%)
   (  segid "    " and resid 131  and name HD1%)
      4.400     2.400     1.600 peak    69 spectrum    1 weight  0.10000E+01 volume  0.57196E-03 ppm1      0.901 ppm2      1.000 CV     1
 ASSI {   79}
   (  segid "    " and resid 49   and name HD2%)
   (  segid "    " and resid 131  and name HD1%)
      4.700     2.800     1.300 peak    79 spectrum    1 weight  0.10000E+01 volume  0.77219E-03 ppm1      0.868 ppm2      1.000 CV     1
 ASSI {   82}
   (  segid "    " and resid 51   and name HB% )
   (  segid "    " and resid 52   and name HG2%)
      4.600     2.700     1.400 peak    82 spectrum    1 weight  0.10000E+01 volume  0.67473E-03 ppm1      1.444 ppm2      1.000 CV     1
 ASSI {   83}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 131  and name HG2%)
      5.000     3.100     1.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.49282E-03 ppm1      0.997 ppm2      1.000 CV     1
 ASSI {  151}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 85   and name HG2%)
      4.800     2.900     1.200 peak   151 spectrum    1 weight  0.10000E+01 volume  0.80523E-03 ppm1      1.833 ppm2      1.000 CV     1
 ASSI {  157}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 85   and name HG2%)
      4.400     2.400     1.600 peak   157 spectrum    1 weight  0.10000E+01 volume  0.30438E-03 ppm1      1.185 ppm2      1.000 CV     1
 ASSI {  160}
   (  segid "    " and resid 85   and name HG1%)
   (  segid "    " and resid 85   and name HG2%)
      3.300     1.300     1.300 peak   160 spectrum    1 weight  0.10000E+01 volume  0.57966E-03 ppm1      1.067 ppm2      1.000 CV     1
 ASSI {  232}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 108  and name HG  ))
      3.700     3.700     2.300 peak   232 spectrum    1 weight  0.10000E+01 volume  0.20989E-02 ppm1      1.272 ppm2      1.000 CV     1
 ASSI {  247}
   (  segid "    " and resid 108  and name HD2%)
   (  segid "    " and resid 108  and name HD1%)
      2.000     0.500     0.500 peak   247 spectrum    1 weight  0.10000E+01 volume  0.10609E-01 ppm1      0.872 ppm2      1.000 CV     1
 ASSI {  343}
   (  segid "    " and resid 131  and name HD1%)
   (  segid "    " and resid 131  and name HG2%)
      3.000     1.100     1.100 peak   343 spectrum    1 weight  0.10000E+01 volume  0.89119E-02 ppm1      0.983 ppm2      1.000 CV     1
 ASSI {  354}
   (  segid "    " and resid 132  and name HD1%)
   (  segid "    " and resid 131  and name HG2%)
      5.000     3.100     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.51627E-03 ppm1     -0.096 ppm2      1.000 CV     1
 ASSI {  364}
   (  segid "    " and resid 137  and name HG1%)
   (  segid "    " and resid 131  and name HG2%)
      2.600     2.600     3.400 peak   364 spectrum    1 weight  0.10000E+01 volume  0.74322E-03 ppm1      0.915 ppm2      1.000 CV     1
 ASSI {   32}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      2.800     1.000     1.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.23874E-02 ppm1      7.921 ppm2      1.000 CV     1
 ASSI {   33}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HG1%)
      3.300     1.400     1.400 peak    33 spectrum    1 weight  0.10000E+01 volume  0.11749E-02 ppm1      7.918 ppm2      1.000 CV     1
 ASSI {   34}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      2.600     0.800     0.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.45802E-02 ppm1      7.921 ppm2      1.000 CV     1
 ASSI {   37}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      3.900     1.900     1.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.65847E-03 ppm1      8.208 ppm2      1.000 CV     1
 ASSI {   57}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      2.500     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.30910E-02 ppm1      8.134 ppm2      1.000 CV     1
 OR {   57}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB3 ))
 ASSI {   58}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HG2 ))
      2.800     1.000     1.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.31715E-02 ppm1      8.131 ppm2      1.000 CV     1
 OR {   58}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HG3 ))
 ASSI {   61}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      2.200     0.600     0.600 peak    61 spectrum    1 weight  0.10000E+01 volume  0.46057E-02 ppm1      8.233 ppm2      1.000 CV     1
 OR {   61}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {   63}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      2.500     0.800     0.800 peak    63 spectrum    1 weight  0.10000E+01 volume  0.29094E-02 ppm1      8.233 ppm2      1.000 CV     1
 OR {   63}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI {   66}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.700     0.900     0.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.28793E-02 ppm1      8.276 ppm2      1.000 CV     1
 OR {   66}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI {   69}
   (( segid "    " and resid 47   and name HE21))
   (( segid "    " and resid 47   and name HG2 ))
      3.000     1.100     1.100 peak    69 spectrum    1 weight  0.10000E+01 volume  0.89531E-03 ppm1      7.545 ppm2      1.000 CV     1
 OR {   69}
   (( segid "    " and resid 47   and name HE21))
   (( segid "    " and resid 47   and name HG3 ))
 ASSI {   70}
   (( segid "    " and resid 47   and name HE22))
   (( segid "    " and resid 47   and name HG2 ))
      3.700     1.800     1.800 peak    70 spectrum    1 weight  0.10000E+01 volume  0.11056E-02 ppm1      6.859 ppm2      1.000 CV     1
 OR {   70}
   (( segid "    " and resid 47   and name HE22))
   (( segid "    " and resid 47   and name HG3 ))
 ASSI {   89}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      2.600     0.800     0.800 peak    89 spectrum    1 weight  0.10000E+01 volume  0.22008E-02 ppm1      7.945 ppm2      1.000 CV     1
 ASSI {   90}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      2.900     1.100     1.100 peak    90 spectrum    1 weight  0.10000E+01 volume  0.11305E-02 ppm1      8.371 ppm2      1.000 CV     1
 ASSI {  120}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG3 ))
      2.700     0.900     0.900 peak   120 spectrum    1 weight  0.10000E+01 volume  0.22828E-02 ppm1      7.360 ppm2      1.000 CV     1
 OR {  120}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI {  157}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.200     1.300     1.300 peak   157 spectrum    1 weight  0.10000E+01 volume  0.11300E-02 ppm1      7.963 ppm2      1.000 CV     1
 OR {  157}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
 ASSI {  159}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.500     0.800     0.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.22408E-02 ppm1      7.966 ppm2      1.000 CV     1
 OR {  159}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
 ASSI {  169}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.300     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.16505E-02 ppm1      7.625 ppm2      1.000 CV     1
 OR {  169}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
 ASSI {  187}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.700     0.900     0.900 peak   187 spectrum    1 weight  0.10000E+01 volume  0.13134E-02 ppm1      7.024 ppm2      1.000 CV     1
 OR {  187}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
 ASSI {  202}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.100     0.600     0.600 peak   202 spectrum    1 weight  0.10000E+01 volume  0.63373E-02 ppm1      7.832 ppm2      1.000 CV     1
 OR {  202}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
 ASSI {  203}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HD2 ))
      4.500     2.500     1.500 peak   203 spectrum    1 weight  0.10000E+01 volume  0.94540E-03 ppm1      7.833 ppm2      1.000 CV     1
 OR {  203}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HD3 ))
 ASSI {  229}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.300     0.600     0.600 peak   229 spectrum    1 weight  0.10000E+01 volume  0.41255E-02 ppm1      8.857 ppm2      1.000 CV     1
 OR {  229}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB3 ))
 ASSI {  233}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      3.300     1.300     1.300 peak   233 spectrum    1 weight  0.10000E+01 volume  0.16739E-02 ppm1      8.164 ppm2      1.000 CV     1
 OR {  233}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB3 ))
 ASSI {  235}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG3 ))
      3.200     1.300     1.300 peak   235 spectrum    1 weight  0.10000E+01 volume  0.82358E-03 ppm1      8.163 ppm2      1.000 CV     1
 OR {  235}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI {  249}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 85   and name HG1%)
      3.100     1.200     1.200 peak   249 spectrum    1 weight  0.10000E+01 volume  0.37783E-02 ppm1      8.835 ppm2      1.000 CV     1
 ASSI {  253}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 85   and name HG1%)
      2.500     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.25096E-02 ppm1      7.533 ppm2      1.000 CV     1
 ASSI {  254}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 85   and name HG2%)
      3.400     1.400     1.400 peak   254 spectrum    1 weight  0.10000E+01 volume  0.20005E-02 ppm1      7.539 ppm2      1.000 CV     1
 ASSI {  288}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      2.000     0.500     0.500 peak   288 spectrum    1 weight  0.10000E+01 volume  0.10365E-01 ppm1      8.550 ppm2      1.000 CV     1
 OR {  288}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB3 ))
 ASSI {  291}
   (( segid "    " and resid 96   and name HE21))
   (( segid "    " and resid 96   and name HB3 ))
      4.100     2.100     1.900 peak   291 spectrum    1 weight  0.10000E+01 volume  0.43412E-03 ppm1      7.730 ppm2      1.000 CV     1
 OR {  291}
   (( segid "    " and resid 96   and name HE21))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI {  292}
   (( segid "    " and resid 96   and name HE22))
   (( segid "    " and resid 96   and name HB3 ))
      4.900     2.900     1.100 peak   292 spectrum    1 weight  0.10000E+01 volume  0.48575E-03 ppm1      6.898 ppm2      1.000 CV     1
 OR {  292}
   (( segid "    " and resid 96   and name HE22))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI {  293}
   (( segid "    " and resid 96   and name HE21))
   (( segid "    " and resid 96   and name HG3 ))
      3.500     1.600     1.600 peak   293 spectrum    1 weight  0.10000E+01 volume  0.47640E-03 ppm1      7.728 ppm2      1.000 CV     1
 OR {  293}
   (( segid "    " and resid 96   and name HE21))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI {  294}
   (( segid "    " and resid 96   and name HE22))
   (( segid "    " and resid 96   and name HG3 ))
      4.400     2.400     1.600 peak   294 spectrum    1 weight  0.10000E+01 volume  0.47437E-03 ppm1      6.857 ppm2      1.000 CV     1
 OR {  294}
   (( segid "    " and resid 96   and name HE22))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI {  303}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.000     0.500     0.500 peak   303 spectrum    1 weight  0.10000E+01 volume  0.18329E-01 ppm1      7.210 ppm2      1.000 CV     1
 OR {  303}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB3 ))
 ASSI {  311}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG3 ))
      3.000     1.100     1.100 peak   311 spectrum    1 weight  0.10000E+01 volume  0.39485E-02 ppm1      8.439 ppm2      1.000 CV     1
 OR {  311}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
 ASSI {  315}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG3 ))
      3.800     1.800     1.800 peak   315 spectrum    1 weight  0.10000E+01 volume  0.18648E-02 ppm1      8.506 ppm2      1.000 CV     1
 OR {  315}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
 ASSI {  327}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
      3.200     1.300     1.300 peak   327 spectrum    1 weight  0.10000E+01 volume  0.20827E-02 ppm1      8.313 ppm2      1.000 CV     1
 OR {  327}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 100  and name HG3 ))
 ASSI {  335}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB3 ))
      2.300     0.600     0.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.43756E-02 ppm1      8.233 ppm2      1.000 CV     1
 OR {  335}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI {  339}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 108  and name HD1%)
      2.700     0.900     0.900 peak   339 spectrum    1 weight  0.10000E+01 volume  0.42623E-02 ppm1      7.356 ppm2      1.000 CV     1
 ASSI {  343}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 108  and name HD1%)
      1.800     0.400     0.400 peak   343 spectrum    1 weight  0.10000E+01 volume  0.21158E-02 ppm1      7.854 ppm2      1.000 CV     1
 ASSI {  345}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HG  ))
      3.600     1.600     1.600 peak   345 spectrum    1 weight  0.10000E+01 volume  0.47369E-03 ppm1      7.856 ppm2      1.000 CV     1
 ASSI {  349}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG3 ))
      3.700     1.700     1.700 peak   349 spectrum    1 weight  0.10000E+01 volume  0.15180E-02 ppm1      8.107 ppm2      1.000 CV     1
 OR {  349}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
 ASSI {  351}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HG3 ))
      3.200     1.300     1.300 peak   351 spectrum    1 weight  0.10000E+01 volume  0.95640E-03 ppm1      8.425 ppm2      1.000 CV     1
 OR {  351}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
 ASSI {  355}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HB3 ))
      2.100     0.600     0.600 peak   355 spectrum    1 weight  0.10000E+01 volume  0.10349E-01 ppm1      7.897 ppm2      1.000 CV     1
 OR {  355}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HB2 ))
 ASSI {  414}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      2.000     0.500     0.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.78262E-02 ppm1      7.941 ppm2      1.000 CV     1
 OR {  414}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 127  and name HB3 ))
 ASSI {  419}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 131  and name HD1%)
      3.800     1.800     1.800 peak   419 spectrum    1 weight  0.10000E+01 volume  0.53112E-03 ppm1      7.903 ppm2      1.000 CV     1
 ASSI {  427}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      4.700     2.800     1.300 peak   427 spectrum    1 weight  0.10000E+01 volume  0.60689E-03 ppm1      7.920 ppm2      1.000 CV     1
 ASSI {  428}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 131  and name HD1%)
      2.400     0.700     0.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.30623E-02 ppm1      7.669 ppm2      1.000 CV     1
 ASSI {  430}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.200     1.300     1.300 peak   430 spectrum    1 weight  0.10000E+01 volume  0.37455E-02 ppm1      7.671 ppm2      1.000 CV     1
 ASSI {  432}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 131  and name HD1%)
      3.800     1.800     1.800 peak   432 spectrum    1 weight  0.10000E+01 volume  0.11084E-02 ppm1      8.359 ppm2      1.000 CV     1
 ASSI {  433}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      2.400     0.700     0.700 peak   433 spectrum    1 weight  0.10000E+01 volume  0.39715E-02 ppm1      8.359 ppm2      1.000 CV     1
 ASSI {  444}
   (( segid "    " and resid 133  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.600     1.700     1.700 peak   444 spectrum    1 weight  0.10000E+01 volume  0.10440E-02 ppm1      7.315 ppm2      1.000 CV     1
 ASSI {   19}
   (( segid "    " and resid 83   and name HD1 ))
   (( segid "    " and resid 82   and name HG3 ))
      2.700     2.700     3.300 peak    19 spectrum    1 weight  0.10000E+01 volume  0.42995E-02 ppm1      7.364 ppm2      2.308 CV     1
 OR {   19}
   (( segid "    " and resid 83   and name HD1 ))
   (( segid "    " and resid 85   and name HB  ))
 ASSI {   20}
   (( segid "    " and resid 83   and name HD1 ))
   (( segid "    " and resid 59   and name HB3 ))
      2.400     2.400     3.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.26629E-02 ppm1      7.363 ppm2      1.696 CV     1
 OR {   20}
   (( segid "    " and resid 83   and name HD1 ))
   (( segid "    " and resid 91   and name HG2 ))
 OR {   20}
   (( segid "    " and resid 83   and name HD1 ))
   (( segid "    " and resid 91   and name HG3 ))
 OR {   20}
   (( segid "    " and resid 83   and name HD1 ))
   (( segid "    " and resid 93   and name HB  ))
 ASSI {   25}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 69   and name HA  ))
      3.600     1.600     1.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.12248E-02 ppm1      6.352 ppm2      1.199 CV     1
 OR {   25}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 65   and name HB  ))
 ASSI {   48}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 60   and name HG3 ))
      2.600     2.600     3.400 peak    48 spectrum    1 weight  0.10000E+01 volume  0.12405E-02 ppm1      7.238 ppm2      1.408 CV     1
 OR {   48}
   (( segid "    " and resid 76   and name HD2 ))
   (  segid "    " and resid 105  and name HD1%)
 ASSI {   64}
   (( segid "    " and resid 128  and name HD2 ))
   (( segid "    " and resid 128  and name HN  ))
      4.600     2.600     1.400 peak    64 spectrum    1 weight  0.10000E+01 volume  0.59283E-03 ppm1      6.376 ppm2      7.898 CV     1
 OR {   64}
   (( segid "    " and resid 128  and name HD2 ))
   (( segid "    " and resid 130  and name HN  ))
 ASSI {   80}
   (( segid "    " and resid 128  and name HE1 ))
   (( segid "    " and resid 83   and name HB3 ))
      2.600     2.600     3.400 peak    80 spectrum    1 weight  0.10000E+01 volume  0.92217E-03 ppm1      6.755 ppm2      3.471 CV     1
 OR {   80}
   (( segid "    " and resid 128  and name HE1 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {   80}
   (( segid "    " and resid 128  and name HE1 ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI {   86}
   (( segid "    " and resid 80   and name HD1 ))
   (  segid "    " and resid 56   and name HE% )
      3.300     1.300     1.300 peak    86 spectrum    1 weight  0.10000E+01 volume  0.24145E-02 ppm1      6.039 ppm2      7.078 CV     1
 OR {   86}
   (( segid "    " and resid 80   and name HD1 ))
   (  segid "    " and resid 53   and name HD% )
 ASSI {   89}
   (( segid "    " and resid 80   and name HD1 ))
   (( segid "    " and resid 84   and name HN  ))
      4.500     2.500     1.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.75490E-03 ppm1      6.039 ppm2      8.477 CV     1
 OR {   89}
   (( segid "    " and resid 80   and name HD1 ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI {   95}
   (( segid "    " and resid 80   and name HZ2 ))
   (( segid "    " and resid 130  and name HA  ))
      4.000     2.000     2.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.25186E-02 ppm1      7.791 ppm2      3.448 CV     1
 OR {   95}
   (( segid "    " and resid 80   and name HZ2 ))
   (( segid "    " and resid 70   and name HD3 ))
 ASSI {  100}
   (( segid "    " and resid 83   and name HH2 ))
   (( segid "    " and resid 52   and name HB  ))
      4.700     2.800     1.300 peak   100 spectrum    1 weight  0.10000E+01 volume  0.10114E-02 ppm1      7.128 ppm2      4.134 CV     1
 OR {  100}
   (( segid "    " and resid 83   and name HH2 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  102}
   (( segid "    " and resid 80   and name HH2 ))
   (( segid "    " and resid 125  and name HA  ))
      4.400     2.400     1.600 peak   102 spectrum    1 weight  0.10000E+01 volume  0.67343E-03 ppm1      7.132 ppm2      4.339 CV     1
 OR {  102}
   (( segid "    " and resid 80   and name HH2 ))
   (( segid "    " and resid 105  and name HA  ))
 ASSI {  105}
   (( segid "    " and resid 80   and name HH2 ))
   (  segid "    " and resid 105  and name HD2%)
      2.900     1.100     1.100 peak   105 spectrum    1 weight  0.10000E+01 volume  0.21538E-02 ppm1      7.122 ppm2      1.255 CV     1
 OR {  105}
   (( segid "    " and resid 83   and name HH2 ))
   (( segid "    " and resid 131  and name HG12))
 ASSI {  106}
   (( segid "    " and resid 80   and name HH2 ))
   (( segid "    " and resid 129  and name HB2 ))
      3.100     1.200     1.200 peak   106 spectrum    1 weight  0.10000E+01 volume  0.54405E-03 ppm1      7.122 ppm2      0.860 CV     1
 OR {  106}
   (( segid "    " and resid 80   and name HH2 ))
   (( segid "    " and resid 129  and name HB3 ))
 OR {  106}
   (( segid "    " and resid 83   and name HH2 ))
   (  segid "    " and resid 49   and name HD2%)
 ASSI {  108}
   (( segid "    " and resid 80   and name HH2 ))
   (  segid "    " and resid 125  and name HD2%)
      3.500     1.500     1.500 peak   108 spectrum    1 weight  0.10000E+01 volume  0.11537E-02 ppm1      7.119 ppm2      0.340 CV     1
 OR {  108}
   (( segid "    " and resid 80   and name HH2 ))
   (  segid "    " and resid 81   and name HG2%)
 ASSI {  128}
   (( segid "    " and resid 83   and name HZ2 ))
   (( segid "    " and resid 54   and name HA  ))
      2.600     2.600     3.400 peak   128 spectrum    1 weight  0.10000E+01 volume  0.10992E-02 ppm1      7.378 ppm2      4.431 CV     1
 OR {  128}
   (( segid "    " and resid 83   and name HZ2 ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  133}
   (( segid "    " and resid 126  and name HZ2 ))
   (( segid "    " and resid 110  and name HB2 ))
      3.100     1.200     1.200 peak   133 spectrum    1 weight  0.10000E+01 volume  0.25390E-02 ppm1      7.370 ppm2      0.989 CV     1
 OR {  133}
   (( segid "    " and resid 83   and name HZ2 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  133}
   (( segid "    " and resid 126  and name HZ2 ))
   (( segid "    " and resid 110  and name HB3 ))
 ASSI {  134}
   (( segid "    " and resid 126  and name HZ2 ))
   (( segid "    " and resid 129  and name HG  ))
      3.500     1.600     1.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.13287E-02 ppm1      7.357 ppm2      1.237 CV     1
 OR {  134}
   (( segid "    " and resid 83   and name HZ2 ))
   (  segid "    " and resid 57   and name HG2%)
 ASSI {  138}
   (( segid "    " and resid 126  and name HH2 ))
   (( segid "    " and resid 130  and name HG2 ))
      4.100     2.100     1.900 peak   138 spectrum    1 weight  0.10000E+01 volume  0.72885E-03 ppm1      7.159 ppm2      1.433 CV     1
 OR {  138}
   (( segid "    " and resid 126  and name HH2 ))
   (( segid "    " and resid 130  and name HG3 ))
 OR {  138}
   (( segid "    " and resid 126  and name HH2 ))
   (  segid "    " and resid 105  and name HD1%)
 ASSI {  145}
   (( segid "    " and resid 126  and name HD1 ))
   (( segid "    " and resid 110  and name HD2 ))
      3.200     1.200     1.200 peak   145 spectrum    1 weight  0.10000E+01 volume  0.11528E-02 ppm1      7.094 ppm2      1.233 CV     1
 OR {  145}
   (( segid "    " and resid 126  and name HD1 ))
   (( segid "    " and resid 129  and name HG  ))
 ASSI {  148}
   (( segid "    " and resid 83   and name HZ2 ))
   (( segid "    " and resid 52   and name HA  ))
      3.800     1.800     1.800 peak   148 spectrum    1 weight  0.10000E+01 volume  0.11725E-02 ppm1      7.367 ppm2      4.149 CV     1
 OR {  148}
   (( segid "    " and resid 83   and name HZ2 ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  148}
   (( segid "    " and resid 83   and name HZ2 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  153}
   (( segid "    " and resid 126  and name HE3 ))
   (  segid "    " and resid 113  and name HE% )
      4.800     2.800     1.200 peak   153 spectrum    1 weight  0.10000E+01 volume  0.58234E-03 ppm1      6.239 ppm2      7.796 CV     1
 OR {  153}
   (( segid "    " and resid 126  and name HE3 ))
   (( segid "    " and resid 80   and name HZ2 ))
 ASSI {  160}
   (  segid "    " and resid 113  and name HE% )
   (( segid "    " and resid 126  and name HB2 ))
      3.600     1.600     1.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.16171E-02 ppm1      7.789 ppm2      3.257 CV     1
 OR {  160}
   (  segid "    " and resid 113  and name HE% )
   (( segid "    " and resid 129  and name HA  ))
 ASSI {  166}
   (  segid "    " and resid 113  and name HE% )
   (  segid "    " and resid 108  and name HD2%)
      3.500     1.500     1.500 peak   166 spectrum    1 weight  0.10000E+01 volume  0.12857E-02 ppm1      7.788 ppm2      0.846 CV     1
 OR {  166}
   (  segid "    " and resid 113  and name HE% )
   (( segid "    " and resid 129  and name HB2 ))
 OR {  166}
   (  segid "    " and resid 113  and name HE% )
   (( segid "    " and resid 129  and name HB3 ))
 ASSI {  172}
   (( segid "    " and resid 113  and name HZ  ))
   (( segid "    " and resid 126  and name HA  ))
      4.200     2.200     1.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.73007E-03 ppm1      7.587 ppm2      3.743 CV     1
 OR {  172}
   (( segid "    " and resid 113  and name HZ  ))
   (( segid "    " and resid 122  and name HA1 ))
 ASSI {  179}
   (  segid "    " and resid 113  and name HD% )
   (  segid "    " and resid 116  and name HD1%)
      4.000     2.000     2.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.10310E-02 ppm1      7.286 ppm2      0.304 CV     1
 OR {  179}
   (  segid "    " and resid 113  and name HD% )
   (  segid "    " and resid 125  and name HD2%)
 ASSI {  181}
   (  segid "    " and resid 113  and name HD% )
   (  segid "    " and resid 108  and name HD2%)
      2.300     0.700     0.700 peak   181 spectrum    1 weight  0.10000E+01 volume  0.50255E-02 ppm1      7.281 ppm2      0.843 CV     1
 OR {  181}
   (  segid "    " and resid 113  and name HD% )
   (  segid "    " and resid 114  and name HD2%)
 ASSI {  183}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 105  and name HG  ))
      3.700     1.700     1.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.16066E-02 ppm1      7.282 ppm2      1.915 CV     1
 OR {  183}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 114  and name HG  ))
 ASSI {  184}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 125  and name HB3 ))
      4.000     2.000     2.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.93822E-03 ppm1      7.283 ppm2      2.178 CV     1
 OR {  184}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 125  and name HB2 ))
 OR {  184}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 110  and name HA  ))
 ASSI {  185}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 112  and name HA  ))
      4.300     2.400     1.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.49946E-03 ppm1      7.280 ppm2      4.143 CV     1
 OR {  185}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 115  and name HA  ))
 ASSI {  191}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 72   and name HZ2 ))
      4.100     2.100     1.900 peak   191 spectrum    1 weight  0.10000E+01 volume  0.87019E-03 ppm1      6.517 ppm2      6.969 CV     1
 OR {  191}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 60   and name HE21))
 ASSI {  204}
   (( segid "    " and resid 56   and name HZ  ))
   (  segid "    " and resid 63   and name HD1%)
      4.600     2.600     1.400 peak   204 spectrum    1 weight  0.10000E+01 volume  0.55209E-03 ppm1      6.913 ppm2      0.898 CV     1
 OR {  204}
   (( segid "    " and resid 56   and name HZ  ))
   (  segid "    " and resid 132  and name HD2%)
 ASSI {  207}
   (( segid "    " and resid 98   and name HZ  ))
   (( segid "    " and resid 97   and name HD2 ))
      4.200     2.200     1.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.12130E-02 ppm1      6.639 ppm2      1.303 CV     1
 OR {  207}
   (( segid "    " and resid 98   and name HZ  ))
   (( segid "    " and resid 97   and name HD3 ))
 OR {  207}
   (( segid "    " and resid 98   and name HZ  ))
   (  segid "    " and resid 105  and name HD2%)
 ASSI {  209}
   (( segid "    " and resid 98   and name HZ  ))
   (  segid "    " and resid 125  and name HD1%)
      2.500     0.800     0.800 peak   209 spectrum    1 weight  0.10000E+01 volume  0.36756E-02 ppm1      6.637 ppm2      0.557 CV     1
 OR {  209}
   (( segid "    " and resid 98   and name HZ  ))
   (  segid "    " and resid 93   and name HG2%)
 ASSI {  210}
   (( segid "    " and resid 98   and name HZ  ))
   (  segid "    " and resid 93   and name HG1%)
      3.600     1.600     1.600 peak   210 spectrum    1 weight  0.10000E+01 volume  0.16323E-02 ppm1      6.637 ppm2      0.303 CV     1
 OR {  210}
   (( segid "    " and resid 98   and name HZ  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI {  211}
   (  segid "    " and resid 98   and name HE% )
   (( segid "    " and resid 95   and name HA  ))
      2.800     2.800     3.200 peak   211 spectrum    1 weight  0.10000E+01 volume  0.12882E-02 ppm1      6.988 ppm2      4.151 CV     1
 OR {  211}
   (  segid "    " and resid 98   and name HE% )
   (( segid "    " and resid 115  and name HA  ))
 OR {  211}
   (  segid "    " and resid 98   and name HE% )
   (( segid "    " and resid 108  and name HA  ))
 ASSI {  212}
   (  segid "    " and resid 98   and name HE% )
   (  segid "    " and resid 125  and name HD1%)
      2.700     0.900     0.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.20959E-02 ppm1      6.986 ppm2      0.546 CV     1
 OR {  212}
   (  segid "    " and resid 98   and name HE% )
   (  segid "    " and resid 116  and name HD2%)
 ASSI {  213}
   (  segid "    " and resid 98   and name HE% )
   (  segid "    " and resid 93   and name HG1%)
      2.800     0.900     0.900 peak   213 spectrum    1 weight  0.10000E+01 volume  0.35975E-02 ppm1      6.986 ppm2      0.290 CV     1
 OR {  213}
   (  segid "    " and resid 98   and name HE% )
   (  segid "    " and resid 125  and name HD2%)
 ASSI {  214}
   (  segid "    " and resid 98   and name HE% )
   (  segid "    " and resid 77   and name HG1%)
      3.300     1.400     1.400 peak   214 spectrum    1 weight  0.10000E+01 volume  0.15233E-02 ppm1      6.986 ppm2      1.702 CV     1
 OR {  214}
   (  segid "    " and resid 98   and name HE% )
   (( segid "    " and resid 97   and name HG3 ))
 ASSI {  215}
   (  segid "    " and resid 98   and name HE% )
   (  segid "    " and resid 105  and name HD1%)
      3.900     1.900     1.900 peak   215 spectrum    1 weight  0.10000E+01 volume  0.19220E-02 ppm1      6.986 ppm2      1.376 CV     1
 OR {  215}
   (  segid "    " and resid 98   and name HE% )
   (( segid "    " and resid 97   and name HD2 ))
 ASSI {  217}
   (  segid "    " and resid 88   and name HD% )
   (( segid "    " and resid 87   and name HN  ))
      4.000     2.000     2.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.73295E-03 ppm1      7.146 ppm2      8.440 CV     1
 OR {  217}
   (  segid "    " and resid 98   and name HD% )
   (( segid "    " and resid 100  and name HN  ))
 OR {  217}
   (  segid "    " and resid 88   and name HD% )
   (( segid "    " and resid 84   and name HN  ))
 ASSI {  218}
   (  segid "    " and resid 98   and name HD% )
   (( segid "    " and resid 95   and name HA  ))
      3.100     1.200     1.200 peak   218 spectrum    1 weight  0.10000E+01 volume  0.28796E-02 ppm1      7.146 ppm2      4.152 CV     1
 OR {  218}
   (  segid "    " and resid 53   and name HE% )
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  219}
   (  segid "    " and resid 98   and name HD% )
   (  segid "    " and resid 77   and name HG1%)
      3.300     1.300     1.300 peak   219 spectrum    1 weight  0.10000E+01 volume  0.24469E-02 ppm1      7.139 ppm2      1.708 CV     1
 OR {  219}
   (  segid "    " and resid 53   and name HE% )
   (( segid "    " and resid 50   and name HG2 ))
 OR {  219}
   (  segid "    " and resid 98   and name HD% )
   (( segid "    " and resid 97   and name HG3 ))
 OR {  219}
   (  segid "    " and resid 98   and name HD% )
   (( segid "    " and resid 97   and name HG2 ))
 ASSI {  220}
   (  segid "    " and resid 98   and name HD% )
   (  segid "    " and resid 105  and name HD1%)
      3.300     1.400     1.400 peak   220 spectrum    1 weight  0.10000E+01 volume  0.24481E-02 ppm1      7.142 ppm2      1.401 CV     1
 OR {  220}
   (  segid "    " and resid 53   and name HE% )
   (( segid "    " and resid 134  and name HD2 ))
 ASSI {  221}
   (  segid "    " and resid 88   and name HD% )
   (  segid "    " and resid 84   and name HB% )
      3.000     1.100     1.100 peak   221 spectrum    1 weight  0.10000E+01 volume  0.30636E-02 ppm1      7.145 ppm2      1.193 CV     1
 OR {  221}
   (  segid "    " and resid 98   and name HD% )
   (  segid "    " and resid 117  and name HB% )
 OR {  221}
   (  segid "    " and resid 53   and name HE% )
   (  segid "    " and resid 84   and name HB% )
 ASSI {  222}
   (  segid "    " and resid 88   and name HD% )
   (  segid "    " and resid 124  and name HD1%)
      2.900     1.000     1.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.41347E-02 ppm1      7.140 ppm2      0.564 CV     1
 OR {  222}
   (  segid "    " and resid 98   and name HD% )
   (  segid "    " and resid 93   and name HG2%)
 OR {  222}
   (  segid "    " and resid 98   and name HD% )
   (  segid "    " and resid 125  and name HD1%)
 ASSI {  224}
   (  segid "    " and resid 53   and name HE% )
   (  segid "    " and resid 49   and name HD2%)
      2.700     0.900     0.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.31571E-02 ppm1      7.139 ppm2      0.871 CV     1
 OR {  224}
   (  segid "    " and resid 53   and name HE% )
   (  segid "    " and resid 49   and name HD1%)
 OR {  224}
   (  segid "    " and resid 88   and name HD% )
   (  segid "    " and resid 90   and name HD2%)
 OR {  224}
   (  segid "    " and resid 53   and name HD% )
   (  segid "    " and resid 49   and name HD2%)
 ASSI {  225}
   (  segid "    " and resid 53   and name HE% )
   (  segid "    " and resid 131  and name HG2%)
      2.900     1.000     1.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.43146E-02 ppm1      7.142 ppm2      1.001 CV     1
 OR {  225}
   (  segid "    " and resid 53   and name HE% )
   (  segid "    " and resid 131  and name HD1%)
 OR {  225}
   (  segid "    " and resid 53   and name HE% )
   (  segid "    " and resid 52   and name HG2%)
 ASSI {  230}
   (  segid "    " and resid 95   and name HD% )
   (( segid "    " and resid 82   and name HG2 ))
      3.600     1.600     1.600 peak   230 spectrum    1 weight  0.10000E+01 volume  0.20531E-02 ppm1      7.300 ppm2      2.297 CV     1
 OR {  230}
   (  segid "    " and resid 95   and name HD% )
   (( segid "    " and resid 85   and name HB  ))
 ASSI {  231}
   (  segid "    " and resid 120  and name HD% )
   (( segid "    " and resid 45   and name HB3 ))
      3.800     1.800     1.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.14904E-02 ppm1      7.303 ppm2      2.174 CV     1
 OR {  231}
   (  segid "    " and resid 120  and name HD% )
   (( segid "    " and resid 44   and name HB2 ))
 OR {  231}
   (  segid "    " and resid 95   and name HD% )
   (( segid "    " and resid 96   and name HB2 ))
 OR {  231}
   (  segid "    " and resid 120  and name HD% )
   (( segid "    " and resid 44   and name HB3 ))
 OR {  231}
   (  segid "    " and resid 120  and name HD% )
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  232}
   (  segid "    " and resid 120  and name HD% )
   (( segid "    " and resid 124  and name HB  ))
      3.200     1.300     1.300 peak   232 spectrum    1 weight  0.10000E+01 volume  0.37113E-02 ppm1      7.301 ppm2      1.848 CV     1
 OR {  232}
   (  segid "    " and resid 95   and name HD% )
   (( segid "    " and resid 81   and name HB  ))
 OR {  232}
   (  segid "    " and resid 95   and name HD% )
   (  segid "    " and resid 82   and name HE% )
 OR {  232}
   (  segid "    " and resid 120  and name HD% )
   (( segid "    " and resid 118  and name HB2 ))
 ASSI {  234}
   (  segid "    " and resid 120  and name HD% )
   (( segid "    " and resid 45   and name HG2 ))
      4.000     2.000     2.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.11648E-02 ppm1      7.295 ppm2      2.560 CV     1
 OR {  234}
   (  segid "    " and resid 95   and name HD% )
   (( segid "    " and resid 94   and name HB3 ))
 OR {  234}
   (  segid "    " and resid 120  and name HD% )
   (( segid "    " and resid 44   and name HG2 ))
 OR {  234}
   (  segid "    " and resid 120  and name HD% )
   (( segid "    " and resid 45   and name HG3 ))
 OR {  234}
   (  segid "    " and resid 95   and name HD% )
   (( segid "    " and resid 94   and name HB2 ))
 OR {  234}
   (  segid "    " and resid 120  and name HD% )
   (( segid "    " and resid 44   and name HG3 ))
 ASSI {  236}
   (  segid "    " and resid 88   and name HE% )
   (  segid "    " and resid 124  and name HD1%)
      3.200     1.300     1.300 peak   236 spectrum    1 weight  0.10000E+01 volume  0.16604E-02 ppm1      7.293 ppm2      0.565 CV     1
 OR {  236}
   (  segid "    " and resid 120  and name HD% )
   (  segid "    " and resid 124  and name HD1%)
 ASSI {  238}
   (  segid "    " and resid 95   and name HD% )
   (  segid "    " and resid 85   and name HG2%)
      2.900     2.900     3.100 peak   238 spectrum    1 weight  0.10000E+01 volume  0.50743E-02 ppm1      7.299 ppm2      1.040 CV     1
 OR {  238}
   (  segid "    " and resid 120  and name HD% )
   (  segid "    " and resid 85   and name HG2%)
 ASSI {  240}
   (  segid "    " and resid 88   and name HE% )
   (( segid "    " and resid 48   and name HN  ))
      4.600     2.600     1.400 peak   240 spectrum    1 weight  0.10000E+01 volume  0.50919E-03 ppm1      7.290 ppm2      8.121 CV     1
 OR {  240}
   (  segid "    " and resid 95   and name HD% )
   (( segid "    " and resid 93   and name HN  ))
 ASSI {  241}
   (  segid "    " and resid 88   and name HE% )
   (( segid "    " and resid 127  and name HG3 ))
      4.800     2.900     1.200 peak   241 spectrum    1 weight  0.10000E+01 volume  0.72788E-03 ppm1      7.275 ppm2      2.522 CV     1
 OR {  241}
   (  segid "    " and resid 88   and name HE% )
   (( segid "    " and resid 127  and name HG2 ))
 OR {  241}
   (  segid "    " and resid 120  and name HD% )
   (( segid "    " and resid 127  and name HG3 ))
 ASSI {  247}
   (  segid "    " and resid 88   and name HD% )
   (  segid "    " and resid 84   and name HB% )
      3.000     1.100     1.100 peak   247 spectrum    1 weight  0.10000E+01 volume  0.24039E-02 ppm1      7.176 ppm2      1.189 CV     1
 OR {  247}
   (  segid "    " and resid 98   and name HD% )
   (  segid "    " and resid 117  and name HB% )
 ASSI {  248}
   (  segid "    " and resid 88   and name HD% )
   (  segid "    " and resid 90   and name HD2%)
      3.600     1.600     1.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.26407E-02 ppm1      7.176 ppm2      0.885 CV     1
 OR {  248}
   (  segid "    " and resid 88   and name HD% )
   (  segid "    " and resid 49   and name HD2%)
 OR {  248}
   (  segid "    " and resid 88   and name HD% )
   (  segid "    " and resid 49   and name HD1%)
 ASSI {  250}
   (  segid "    " and resid 88   and name HD% )
   (  segid "    " and resid 124  and name HD1%)
      3.100     1.200     1.200 peak   250 spectrum    1 weight  0.10000E+01 volume  0.19008E-02 ppm1      7.179 ppm2      0.538 CV     1
 OR {  250}
   (  segid "    " and resid 98   and name HD% )
   (  segid "    " and resid 116  and name HD2%)
 OR {  250}
   (  segid "    " and resid 98   and name HD% )
   (  segid "    " and resid 125  and name HD1%)
 ASSI {  251}
   (  segid "    " and resid 98   and name HD% )
   (( segid "    " and resid 97   and name HB2 ))
      3.900     1.900     1.900 peak   251 spectrum    1 weight  0.10000E+01 volume  0.72053E-03 ppm1      7.176 ppm2      1.798 CV     1
 OR {  251}
   (  segid "    " and resid 88   and name HD% )
   (( segid "    " and resid 90   and name HG  ))
 OR {  251}
   (  segid "    " and resid 98   and name HD% )
   (( segid "    " and resid 97   and name HB3 ))
 ASSI {  256}
   (  segid "    " and resid 53   and name HE% )
   (( segid "    " and resid 127  and name HG3 ))
      4.500     2.600     1.500 peak   256 spectrum    1 weight  0.10000E+01 volume  0.73834E-03 ppm1      7.102 ppm2      2.547 CV     1
 OR {  256}
   (  segid "    " and resid 53   and name HE% )
   (( segid "    " and resid 127  and name HG2 ))
 OR {  256}
   (  segid "    " and resid 53   and name HE% )
   (( segid "    " and resid 45   and name HG3 ))
 OR {  256}
   (  segid "    " and resid 53   and name HE% )
   (( segid "    " and resid 45   and name HG2 ))
 ASSI {  258}
   (  segid "    " and resid 53   and name HE% )
   (  segid "    " and resid 131  and name HG2%)
      2.700     0.900     0.900 peak   258 spectrum    1 weight  0.10000E+01 volume  0.48624E-02 ppm1      7.098 ppm2      0.979 CV     1
 OR {  258}
   (  segid "    " and resid 53   and name HD% )
   (  segid "    " and resid 52   and name HG2%)
 OR {  258}
   (  segid "    " and resid 53   and name HE% )
   (  segid "    " and resid 131  and name HD1%)
 ASSI {  265}
   (( segid "    " and resid 120  and name HZ  ))
   (( segid "    " and resid 45   and name HG2 ))
      4.100     2.100     1.900 peak   265 spectrum    1 weight  0.10000E+01 volume  0.95450E-03 ppm1      7.273 ppm2      2.538 CV     1
 OR {  265}
   (( segid "    " and resid 88   and name HZ  ))
   (( segid "    " and resid 45   and name HG3 ))
 OR {  265}
   (( segid "    " and resid 53   and name HZ  ))
   (( segid "    " and resid 127  and name HG3 ))
 OR {  265}
   (( segid "    " and resid 88   and name HZ  ))
   (( segid "    " and resid 45   and name HG2 ))
 OR {  265}
   (( segid "    " and resid 120  and name HZ  ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI {  266}
   (( segid "    " and resid 53   and name HZ  ))
   (( segid "    " and resid 127  and name HB3 ))
      2.800     1.000     1.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.20805E-02 ppm1      7.271 ppm2      2.311 CV     1
 OR {  266}
   (( segid "    " and resid 53   and name HZ  ))
   (( segid "    " and resid 127  and name HB2 ))
 OR {  266}
   (( segid "    " and resid 88   and name HZ  ))
   (( segid "    " and resid 127  and name HB2 ))
 ASSI {  267}
   (( segid "    " and resid 88   and name HZ  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.500     1.600     1.600 peak   267 spectrum    1 weight  0.10000E+01 volume  0.70937E-03 ppm1      7.259 ppm2      2.138 CV     1
 OR {  267}
   (( segid "    " and resid 120  and name HZ  ))
   (( segid "    " and resid 44   and name HB2 ))
 OR {  267}
   (( segid "    " and resid 88   and name HZ  ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  267}
   (( segid "    " and resid 95   and name HZ  ))
   (( segid "    " and resid 82   and name HB3 ))
 OR {  267}
   (( segid "    " and resid 120  and name HZ  ))
   (( segid "    " and resid 44   and name HB3 ))
 ASSI {  269}
   (( segid "    " and resid 88   and name HZ  ))
   (  segid "    " and resid 52   and name HG2%)
      2.600     2.600     3.400 peak   269 spectrum    1 weight  0.10000E+01 volume  0.34083E-02 ppm1      7.261 ppm2      1.042 CV     1
 OR {  269}
   (( segid "    " and resid 53   and name HZ  ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  269}
   (( segid "    " and resid 53   and name HZ  ))
   (( segid "    " and resid 132  and name HB3 ))
 OR {  269}
   (( segid "    " and resid 53   and name HZ  ))
   (( segid "    " and resid 132  and name HB2 ))
 ASSI {  270}
   (( segid "    " and resid 88   and name HZ  ))
   (( segid "    " and resid 124  and name HG13))
      3.200     1.200     1.200 peak   270 spectrum    1 weight  0.10000E+01 volume  0.21117E-02 ppm1      7.279 ppm2      0.895 CV     1
 OR {  270}
   (( segid "    " and resid 88   and name HZ  ))
   (  segid "    " and resid 49   and name HD1%)
 OR {  270}
   (( segid "    " and resid 53   and name HZ  ))
   (  segid "    " and resid 49   and name HD2%)
 OR {  270}
   (( segid "    " and resid 53   and name HZ  ))
   (  segid "    " and resid 49   and name HD1%)
 OR {  270}
   (( segid "    " and resid 88   and name HZ  ))
   (  segid "    " and resid 49   and name HD2%)
 OR {  270}
   (( segid "    " and resid 88   and name HZ  ))
   (( segid "    " and resid 124  and name HG12))
 ASSI {  271}
   (( segid "    " and resid 120  and name HZ  ))
   (  segid "    " and resid 124  and name HD1%)
      3.000     1.100     1.100 peak   271 spectrum    1 weight  0.10000E+01 volume  0.27807E-02 ppm1      7.277 ppm2      0.590 CV     1
 OR {  271}
   (( segid "    " and resid 88   and name HZ  ))
   (  segid "    " and resid 124  and name HD1%)
 OR {  271}
   (( segid "    " and resid 88   and name HZ  ))
   (  segid "    " and resid 124  and name HG2%)
 ASSI {  273}
   (( segid "    " and resid 88   and name HZ  ))
   (( segid "    " and resid 124  and name HA  ))
      4.200     2.200     1.800 peak   273 spectrum    1 weight  0.10000E+01 volume  0.75850E-03 ppm1      7.282 ppm2      3.919 CV     1
 OR {  273}
   (( segid "    " and resid 53   and name HZ  ))
   (( segid "    " and resid 127  and name HA  ))
 OR {  273}
   (( segid "    " and resid 120  and name HZ  ))
   (( segid "    " and resid 124  and name HA  ))
 ASSI {   14}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.300     0.700     0.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.75934E-02 ppm1      4.595 ppm2      7.931 CV     1
 OR {   14}
   (( segid "    " and resid 136  and name HA  ))
   (( segid "    " and resid 137  and name HN  ))
 ASSI {   16}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.700     0.900     0.900 peak    16 spectrum    1 weight  0.10000E+01 volume  0.37241E-02 ppm1      4.607 ppm2      2.539 CV     1
 OR {   16}
   (( segid "    " and resid 136  and name HA  ))
   (( segid "    " and resid 136  and name HB2 ))
 OR {   16}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
 ASSI {   18}
   (( segid "    " and resid 123  and name HB3 ))
   (( segid "    " and resid 127  and name HG2 ))
      1.400     1.400     4.600 peak    18 spectrum    1 weight  0.10000E+01 volume  0.15510E+00 ppm1      2.678 ppm2      2.554 CV     1
 OR {   18}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 127  and name HG2 ))
 OR {   18}
   (( segid "    " and resid 123  and name HB3 ))
   (( segid "    " and resid 127  and name HG3 ))
 OR {   18}
   (( segid "    " and resid 123  and name HB3 ))
   (( segid "    " and resid 45   and name HG2 ))
 OR {   18}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 127  and name HG3 ))
 OR {   18}
   (( segid "    " and resid 123  and name HB3 ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI {   28}
   (( segid "    " and resid 137  and name HB  ))
   (  segid "    " and resid 137  and name HG2%)
      2.300     0.700     0.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.68340E-02 ppm1      2.085 ppm2      0.933 CV     1
 OR {   28}
   (( segid "    " and resid 34   and name HB  ))
   (  segid "    " and resid 34   and name HG1%)
 OR {   28}
   (( segid "    " and resid 34   and name HB  ))
   (  segid "    " and resid 34   and name HG2%)
 ASSI {   32}
   (( segid "    " and resid 137  and name HB  ))
   (( segid "    " and resid 137  and name HN  ))
      2.600     0.900     0.900 peak    32 spectrum    1 weight  0.10000E+01 volume  0.38260E-02 ppm1      2.080 ppm2      7.944 CV     1
 OR {   32}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {   57}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HA  ))
      3.700     1.700     1.700 peak    57 spectrum    1 weight  0.10000E+01 volume  0.16704E-02 ppm1      1.993 ppm2      4.410 CV     1
 OR {   57}
   (( segid "    " and resid 35   and name HG3 ))
   (( segid "    " and resid 35   and name HA  ))
 OR {   57}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 35   and name HA  ))
 OR {   57}
   (( segid "    " and resid 35   and name HG3 ))
   (( segid "    " and resid 34   and name HA  ))
 OR {   57}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
 ASSI {   63}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 43   and name HG2 ))
      2.500     0.800     0.800 peak    63 spectrum    1 weight  0.10000E+01 volume  0.75764E-02 ppm1      1.997 ppm2      2.298 CV     1
 OR {   63}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {   63}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {   63}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 43   and name HG3 ))
 OR {   63}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR {   63}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {   63}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 43   and name HG3 ))
 ASSI {   67}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name HB3 ))
      2.000     0.500     0.500 peak    67 spectrum    1 weight  0.10000E+01 volume  0.11686E-01 ppm1      1.986 ppm2      1.851 CV     1
 OR {   67}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 35   and name HB2 ))
 OR {   67}
   (( segid "    " and resid 35   and name HG3 ))
   (( segid "    " and resid 35   and name HB3 ))
 OR {   67}
   (( segid "    " and resid 35   and name HG3 ))
   (( segid "    " and resid 35   and name HB2 ))
 OR {   67}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 35   and name HB3 ))
 OR {   67}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI {   91}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HN  ))
      2.900     1.000     1.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.25672E-02 ppm1      1.581 ppm2      8.191 CV     1
 OR {   91}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
 OR {   91}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
 OR {   91}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI {   97}
   (( segid "    " and resid 36   and name HB3 ))
   (  segid "    " and resid 36   and name HD1%)
      2.700     0.900     0.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.36951E-02 ppm1      1.579 ppm2      0.911 CV     1
 OR {   97}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 36   and name HD2%)
 OR {   97}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 37   and name HD1%)
 OR {   97}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
 OR {   97}
   (( segid "    " and resid 36   and name HB3 ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI {   98}
   (( segid "    " and resid 37   and name HG  ))
   (  segid "    " and resid 37   and name HD1%)
      2.200     0.600     0.600 peak    98 spectrum    1 weight  0.10000E+01 volume  0.88642E-02 ppm1      1.636 ppm2      0.930 CV     1
 OR {   98}
   (( segid "    " and resid 36   and name HG  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  112}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.000     1.100     1.100 peak   112 spectrum    1 weight  0.10000E+01 volume  0.16604E-02 ppm1      4.447 ppm2      7.630 CV     1
 OR {  112}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HE21))
 ASSI {  115}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HB2 ))
      2.500     0.800     0.800 peak   115 spectrum    1 weight  0.10000E+01 volume  0.62560E-02 ppm1      0.866 ppm2      1.549 CV     1
 OR {  115}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 37   and name HB2 ))
 OR {  115}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 37   and name HB3 ))
 OR {  115}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HB3 ))
 ASSI {  116}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 49   and name HG  ))
      2.100     0.600     0.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.83821E-02 ppm1      0.864 ppm2      1.646 CV     1
 OR {  116}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HG  ))
 ASSI {  118}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 127  and name HG3 ))
      3.900     1.900     1.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.12987E-02 ppm1      0.869 ppm2      2.534 CV     1
 OR {  118}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 45   and name HG3 ))
 OR {  118}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 127  and name HG2 ))
 OR {  118}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 45   and name HG2 ))
 ASSI {  120}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 124  and name HA  ))
      3.700     1.700     1.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.89502E-03 ppm1      0.865 ppm2      3.923 CV     1
 OR {  120}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 127  and name HA  ))
 ASSI {  122}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 37   and name HG  ))
      2.400     0.700     0.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.75764E-02 ppm1      0.857 ppm2      1.593 CV     1
 OR {  122}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HB2 ))
 OR {  122}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 37   and name HB3 ))
 OR {  122}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HB3 ))
 ASSI {  167}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.28105E-02 ppm1      1.942 ppm2      4.435 CV     1
 OR {  167}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HA  ))
 OR {  167}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  170}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 56   and name HN  ))
      3.800     1.800     1.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.10490E-02 ppm1      1.940 ppm2      7.873 CV     1
 OR {  170}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
 OR {  170}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
 OR {  170}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  172}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 43   and name HG2 ))
      2.400     0.700     0.700 peak   172 spectrum    1 weight  0.10000E+01 volume  0.89943E-02 ppm1      1.979 ppm2      2.314 CV     1
 OR {  172}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  172}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  172}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 43   and name HG3 ))
 OR {  172}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR {  172}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 43   and name HG3 ))
 ASSI {  173}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name HB3 ))
      2.200     0.600     0.600 peak   173 spectrum    1 weight  0.10000E+01 volume  0.57695E-02 ppm1      1.979 ppm2      1.812 CV     1
 OR {  173}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 118  and name HG3 ))
   (( segid "    " and resid 118  and name HB3 ))
 OR {  173}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HB3 ))
 OR {  173}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  173}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI {  175}
   (( segid "    " and resid 118  and name HG2 ))
   (  segid "    " and resid 93   and name HG2%)
      4.100     2.100     1.900 peak   175 spectrum    1 weight  0.10000E+01 volume  0.72140E-03 ppm1      2.003 ppm2      0.585 CV     1
 OR {  175}
   (( segid "    " and resid 118  and name HG3 ))
   (  segid "    " and resid 93   and name HG2%)
 OR {  175}
   (( segid "    " and resid 118  and name HG2 ))
   (  segid "    " and resid 125  and name HD1%)
 OR {  175}
   (( segid "    " and resid 118  and name HG2 ))
   (  segid "    " and resid 124  and name HD1%)
 OR {  175}
   (( segid "    " and resid 118  and name HG2 ))
   (  segid "    " and resid 124  and name HG2%)
 ASSI {  176}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 46   and name HB3 ))
      4.400     2.500     1.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.68040E-03 ppm1      2.000 ppm2      3.973 CV     1
 OR {  176}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 114  and name HA  ))
 OR {  176}
   (( segid "    " and resid 118  and name HG3 ))
   (( segid "    " and resid 114  and name HA  ))
 OR {  176}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  176}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  190}
   (( segid "    " and resid 39   and name HD3 ))
   (  segid "    " and resid 44   and name HE% )
      3.000     1.100     1.100 peak   190 spectrum    1 weight  0.10000E+01 volume  0.37929E-02 ppm1      3.737 ppm2      2.072 CV     1
 OR {  190}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 43   and name HB3 ))
 OR {  190}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  194}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.600     1.600     1.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.70541E-03 ppm1      4.465 ppm2      8.334 CV     1
 OR {  194}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI {  197}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.000     1.100     1.100 peak   197 spectrum    1 weight  0.10000E+01 volume  0.28262E-02 ppm1      4.426 ppm2      2.113 CV     1
 OR {  197}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  197}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 44   and name HE% )
 OR {  197}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HB3 ))
 OR {  197}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
 ASSI {  199}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      3.400     1.500     1.500 peak   199 spectrum    1 weight  0.10000E+01 volume  0.14129E-02 ppm1      4.424 ppm2      2.074 CV     1
 OR {  199}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
 OR {  199}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 44   and name HE% )
 OR {  199}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 100  and name HB3 ))
 OR {  199}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
 ASSI {  201}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.700     1.700     1.700 peak   201 spectrum    1 weight  0.10000E+01 volume  0.67270E-03 ppm1      4.425 ppm2      8.340 CV     1
 OR {  201}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI {  203}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
      2.500     0.800     0.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.55201E-02 ppm1      3.899 ppm2      4.464 CV     1
 OR {  203}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  203}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  203}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HA  ))
 ASSI {  204}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 39   and name HA  ))
      1.900     1.900     4.100 peak   204 spectrum    1 weight  0.10000E+01 volume  0.65473E-02 ppm1      3.997 ppm2      4.438 CV     1
 OR {  204}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
 OR {  204}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 41   and name HA  ))
 ASSI {  209}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.900     1.000     1.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.22210E-02 ppm1      4.190 ppm2      8.300 CV     1
 OR {  209}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 OR {  209}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 OR {  209}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  210}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.100     1.200     1.200 peak   210 spectrum    1 weight  0.10000E+01 volume  0.18652E-02 ppm1      4.196 ppm2      8.133 CV     1
 OR {  210}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
 OR {  210}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI {  211}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
      4.200     2.200     1.800 peak   211 spectrum    1 weight  0.10000E+01 volume  0.82620E-03 ppm1      4.179 ppm2      4.427 CV     1
 OR {  211}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
 OR {  211}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  213}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 51   and name HB% )
      3.200     1.300     1.300 peak   213 spectrum    1 weight  0.10000E+01 volume  0.23831E-02 ppm1      4.169 ppm2      1.407 CV     1
 OR {  213}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HD2 ))
 OR {  213}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HD3 ))
 ASSI {  214}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 51   and name HB% )
      3.200     1.300     1.300 peak   214 spectrum    1 weight  0.10000E+01 volume  0.24533E-02 ppm1      4.168 ppm2      1.454 CV     1
 OR {  214}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 114  and name HB2 ))
 OR {  214}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HD2 ))
 OR {  214}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HD3 ))
 ASSI {  219}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 124  and name HG12))
      4.100     2.100     1.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.68479E-03 ppm1      4.169 ppm2      0.902 CV     1
 OR {  219}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 124  and name HG13))
 OR {  219}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 49   and name HD1%)
 OR {  219}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 49   and name HD1%)
 OR {  219}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 49   and name HD2%)
 OR {  219}
   (( segid "    " and resid 115  and name HA  ))
   (  segid "    " and resid 108  and name HD2%)
 ASSI {  228}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 127  and name HG2 ))
      2.900     2.900     3.100 peak   228 spectrum    1 weight  0.10000E+01 volume  0.54684E-02 ppm1      1.846 ppm2      2.506 CV     1
 OR {  228}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 127  and name HG3 ))
 OR {  228}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 127  and name HG3 ))
 OR {  228}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 127  and name HG2 ))
 OR {  228}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 47   and name HG2 ))
 OR {  228}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 47   and name HG2 ))
 OR {  228}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  228}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 47   and name HG3 ))
 ASSI {  229}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 44   and name HB2 ))
      3.600     1.600     1.600 peak   229 spectrum    1 weight  0.10000E+01 volume  0.23452E-02 ppm1      1.849 ppm2      2.116 CV     1
 OR {  229}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 44   and name HB2 ))
 OR {  229}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  229}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  229}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 44   and name HE% )
 OR {  229}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  229}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  229}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 44   and name HB3 ))
 OR {  229}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 44   and name HB3 ))
 ASSI {  230}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HG3 ))
      2.200     0.600     0.600 peak   230 spectrum    1 weight  0.10000E+01 volume  0.57014E-02 ppm1      1.848 ppm2      2.010 CV     1
 OR {  230}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  230}
   (( segid "    " and resid 118  and name HB3 ))
   (( segid "    " and resid 118  and name HG3 ))
 OR {  230}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 118  and name HG2 ))
 OR {  230}
   (( segid "    " and resid 118  and name HB3 ))
   (( segid "    " and resid 118  and name HG2 ))
 OR {  230}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  230}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {  233}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 123  and name HN  ))
      4.300     2.300     1.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.78176E-03 ppm1      1.842 ppm2      7.992 CV     1
 OR {  233}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
 OR {  233}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI {  234}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.300     1.400     1.400 peak   234 spectrum    1 weight  0.10000E+01 volume  0.83929E-03 ppm1      1.842 ppm2      8.384 CV     1
 OR {  234}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
 OR {  234}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI {  235}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.300     1.400     1.400 peak   235 spectrum    1 weight  0.10000E+01 volume  0.84490E-03 ppm1      1.848 ppm2      8.343 CV     1
 OR {  235}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
 OR {  235}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  236}
   (( segid "    " and resid 118  and name HB3 ))
   (( segid "    " and resid 119  and name HN  ))
      3.600     1.600     1.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.13329E-02 ppm1      1.840 ppm2      8.588 CV     1
 OR {  236}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 119  and name HN  ))
 OR {  236}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 96   and name HN  ))
 ASSI {  238}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HD3 ))
      1.800     0.400     0.400 peak   238 spectrum    1 weight  0.10000E+01 volume  0.34428E-01 ppm1      1.687 ppm2      1.433 CV     1
 OR {  238}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 91   and name HD2 ))
 OR {  238}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  238}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  238}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD3 ))
 OR {  238}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HD3 ))
 OR {  238}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HD3 ))
 OR {  238}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HD2 ))
 OR {  238}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 91   and name HD3 ))
 ASSI {  248}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HG2 ))
      1.800     0.400     0.400 peak   248 spectrum    1 weight  0.10000E+01 volume  0.26598E-01 ppm1      1.517 ppm2      1.758 CV     1
 OR {  248}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  248}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HG3 ))
 OR {  248}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HG2 ))
 OR {  248}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HG3 ))
 OR {  248}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HG2 ))
 ASSI {  249}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HB2 ))
      2.600     0.800     0.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.54594E-02 ppm1      1.517 ppm2      1.952 CV     1
 OR {  249}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  249}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {  249}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  249}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  249}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI {  251}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 127  and name HA  ))
      3.700     1.700     1.700 peak   251 spectrum    1 weight  0.10000E+01 volume  0.15876E-02 ppm1      1.502 ppm2      3.896 CV     1
 OR {  251}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 127  and name HA  ))
 OR {  251}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 124  and name HA  ))
 ASSI {  254}
   (( segid "    " and resid 67   and name HD3 ))
   (( segid "    " and resid 67   and name HE3 ))
      2.700     0.900     0.900 peak   254 spectrum    1 weight  0.10000E+01 volume  0.26717E-02 ppm1      1.420 ppm2      2.979 CV     1
 OR {  254}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HE3 ))
 OR {  254}
   (( segid "    " and resid 91   and name HD3 ))
   (( segid "    " and resid 91   and name HE2 ))
 OR {  254}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 91   and name HE3 ))
 OR {  254}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HE2 ))
 OR {  254}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HE2 ))
 OR {  254}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HE3 ))
 OR {  254}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HE2 ))
 OR {  254}
   (( segid "    " and resid 67   and name HD3 ))
   (( segid "    " and resid 67   and name HE2 ))
 ASSI {  255}
   (( segid "    " and resid 134  and name HD3 ))
   (( segid "    " and resid 135  and name HA  ))
      3.100     1.200     1.200 peak   255 spectrum    1 weight  0.10000E+01 volume  0.29566E-02 ppm1      1.422 ppm2      4.190 CV     1
 OR {  255}
   (( segid "    " and resid 134  and name HD3 ))
   (( segid "    " and resid 134  and name HA  ))
 OR {  255}
   (( segid "    " and resid 134  and name HD2 ))
   (( segid "    " and resid 134  and name HA  ))
 OR {  255}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  255}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  256}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 54   and name HB3 ))
      2.700     2.700     3.300 peak   256 spectrum    1 weight  0.10000E+01 volume  0.19923E-02 ppm1      1.526 ppm2      4.196 CV     1
 OR {  256}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 54   and name HB3 ))
 OR {  256}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  256}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  256}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 55   and name HA1 ))
 OR {  256}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  256}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  256}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  256}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  256}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 134  and name HA  ))
 ASSI {  259}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 53   and name HN  ))
      4.300     2.300     1.700 peak   259 spectrum    1 weight  0.10000E+01 volume  0.72468E-03 ppm1      1.503 ppm2      8.391 CV     1
 OR {  259}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 53   and name HN  ))
 OR {  259}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 132  and name HN  ))
 ASSI {  260}
   (( segid "    " and resid 67   and name HD3 ))
   (( segid "    " and resid 67   and name HN  ))
      3.900     1.900     1.900 peak   260 spectrum    1 weight  0.10000E+01 volume  0.76799E-03 ppm1      1.420 ppm2      8.386 CV     1
 OR {  260}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HN  ))
 OR {  260}
   (( segid "    " and resid 134  and name HD2 ))
   (( segid "    " and resid 132  and name HN  ))
 ASSI {  263}
   (( segid "    " and resid 115  and name HB3 ))
   (( segid "    " and resid 115  and name HG2 ))
      1.700     0.400     0.500 peak   263 spectrum    1 weight  0.10000E+01 volume  0.41331E-01 ppm1      2.048 ppm2      2.285 CV     1
 OR {  263}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR {  263}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR {  263}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115  and name HG3 ))
 OR {  263}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115  and name HG2 ))
 OR {  263}
   (( segid "    " and resid 115  and name HB3 ))
   (( segid "    " and resid 115  and name HG3 ))
 ASSI {  265}
   (( segid "    " and resid 115  and name HB3 ))
   (( segid "    " and resid 112  and name HA  ))
      2.200     0.600     0.600 peak   265 spectrum    1 weight  0.10000E+01 volume  0.89838E-02 ppm1      2.049 ppm2      4.171 CV     1
 OR {  265}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
 OR {  265}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 112  and name HA  ))
 ASSI {  267}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 46   and name HB3 ))
      3.700     1.700     1.700 peak   267 spectrum    1 weight  0.10000E+01 volume  0.13791E-02 ppm1      2.052 ppm2      3.958 CV     1
 OR {  267}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  267}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  267}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  267}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 114  and name HA  ))
 ASSI {  274}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.800     1.800     1.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.14976E-02 ppm1      2.298 ppm2      8.303 CV     1
 OR {  274}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 47   and name HN  ))
 OR {  274}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HN  ))
 OR {  274}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  276}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   276 spectrum    1 weight  0.10000E+01 volume  0.69796E-02 ppm1      2.299 ppm2      4.196 CV     1
 OR {  276}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
 OR {  276}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 101  and name HA  ))
 OR {  276}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 101  and name HA  ))
 ASSI {  282}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 136  and name HN  ))
      2.600     0.900     0.900 peak   282 spectrum    1 weight  0.10000E+01 volume  0.56258E-02 ppm1      4.190 ppm2      8.312 CV     1
 OR {  282}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 136  and name HN  ))
 ASSI {  284}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.100     1.200     1.200 peak   284 spectrum    1 weight  0.10000E+01 volume  0.16940E-02 ppm1      4.200 ppm2      8.140 CV     1
 OR {  284}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI {  290}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HG3 ))
      2.700     0.900     0.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.45420E-02 ppm1      4.380 ppm2      2.563 CV     1
 OR {  290}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HG2 ))
 OR {  290}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI {  292}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB3 ))
      1.900     0.500     0.500 peak   292 spectrum    1 weight  0.10000E+01 volume  0.16487E-01 ppm1      4.378 ppm2      2.124 CV     1
 OR {  292}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  292}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  292}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HE% )
 OR {  292}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI {  293}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 43   and name HB3 ))
      2.900     1.000     1.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.46472E-02 ppm1      4.379 ppm2      2.048 CV     1
 OR {  293}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HE% )
 ASSI {  296}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.900     0.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.26791E-02 ppm1      4.378 ppm2      8.247 CV     1
 OR {  296}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 OR {  296}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
 OR {  296}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  297}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.900     1.000     1.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.19189E-02 ppm1      4.381 ppm2      8.130 CV     1
 OR {  297}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  300}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HG2 ))
      1.800     0.400     0.400 peak   300 spectrum    1 weight  0.10000E+01 volume  0.29251E-01 ppm1      2.131 ppm2      2.564 CV     1
 OR {  300}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HG3 ))
 OR {  300}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HG2 ))
 OR {  300}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HG3 ))
 OR {  300}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HG2 ))
 OR {  300}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI {  301}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 86   and name HB3 ))
      2.100     2.100     3.900 peak   301 spectrum    1 weight  0.10000E+01 volume  0.21306E-01 ppm1      2.132 ppm2      2.652 CV     1
 OR {  301}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  301}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {  301}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  301}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 86   and name HB2 ))
 ASSI {  302}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 47   and name HG2 ))
      3.100     1.200     1.200 peak   302 spectrum    1 weight  0.10000E+01 volume  0.38089E-02 ppm1      2.132 ppm2      2.488 CV     1
 OR {  302}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 47   and name HG3 ))
 OR {  302}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 47   and name HG2 ))
 OR {  302}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 47   and name HG3 ))
 OR {  302}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 47   and name HG3 ))
 ASSI {  303}
   (( segid "    " and resid 34   and name HB  ))
   (  segid "    " and resid 34   and name HG1%)
      2.900     2.900     3.100 peak   303 spectrum    1 weight  0.10000E+01 volume  0.14357E-02 ppm1      2.132 ppm2      0.936 CV     1
 OR {  303}
   (( segid "    " and resid 34   and name HB  ))
   (  segid "    " and resid 34   and name HG2%)
 OR {  303}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 49   and name HD1%)
 ASSI {  307}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.600     0.800     0.800 peak   307 spectrum    1 weight  0.10000E+01 volume  0.22119E-02 ppm1      2.136 ppm2      4.359 CV     1
 OR {  307}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  307}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  307}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  310}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
      4.000     2.000     2.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.11095E-02 ppm1      2.132 ppm2      4.003 CV     1
 OR {  310}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  310}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  310}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  310}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  314}
   (  segid "    " and resid 44   and name HE% )
   (( segid "    " and resid 44   and name HA  ))
      3.000     1.100     1.100 peak   314 spectrum    1 weight  0.10000E+01 volume  0.22963E-02 ppm1      2.092 ppm2      4.410 CV     1
 OR {  314}
   (  segid "    " and resid 44   and name HE% )
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  319}
   (  segid "    " and resid 45   and name HE% )
   (  segid "    " and resid 84   and name HB% )
      4.300     2.300     1.700 peak   319 spectrum    1 weight  0.10000E+01 volume  0.78197E-03 ppm1      2.092 ppm2      1.222 CV     1
 OR {  319}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 131  and name HG12))
 ASSI {  323}
   (  segid "    " and resid 45   and name HE% )
   (  segid "    " and resid 131  and name HD1%)
      3.200     1.300     1.300 peak   323 spectrum    1 weight  0.10000E+01 volume  0.47743E-02 ppm1      2.090 ppm2      0.981 CV     1
 OR {  323}
   (  segid "    " and resid 45   and name HE% )
   (  segid "    " and resid 52   and name HG2%)
 ASSI {  329}
   (( segid "    " and resid 45   and name HG3 ))
   (  segid "    " and resid 49   and name HD1%)
      4.100     2.100     1.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.85117E-03 ppm1      2.550 ppm2      0.902 CV     1
 OR {  329}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 124  and name HG13))
 OR {  329}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 124  and name HG12))
 OR {  329}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 49   and name HD1%)
 OR {  329}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 124  and name HG12))
 ASSI {  335}
   (( segid "    " and resid 34   and name HB  ))
   (  segid "    " and resid 34   and name HG2%)
      2.800     1.000     1.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.17579E-02 ppm1      2.132 ppm2      0.905 CV     1
 OR {  335}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 124  and name HG13))
 OR {  335}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 49   and name HD1%)
 OR {  335}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 124  and name HG12))
 OR {  335}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 49   and name HD1%)
 ASSI {  336}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 124  and name HD1%)
      3.500     1.500     1.500 peak   336 spectrum    1 weight  0.10000E+01 volume  0.95486E-03 ppm1      2.124 ppm2      0.570 CV     1
 OR {  336}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 124  and name HD1%)
 OR {  336}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 124  and name HD1%)
 ASSI {  339}
   (( segid "    " and resid 44   and name HB3 ))
   (  segid "    " and resid 48   and name HB% )
      4.100     2.100     1.900 peak   339 spectrum    1 weight  0.10000E+01 volume  0.80073E-03 ppm1      2.136 ppm2      1.480 CV     1
 OR {  339}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 48   and name HB% )
 OR {  339}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 48   and name HB% )
 OR {  339}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 48   and name HB% )
 ASSI {  341}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.800     0.800 peak   341 spectrum    1 weight  0.10000E+01 volume  0.30192E-02 ppm1      2.132 ppm2      8.244 CV     1
 OR {  341}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
 OR {  341}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
 OR {  341}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  342}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.000     0.500     0.500 peak   342 spectrum    1 weight  0.10000E+01 volume  0.95044E-02 ppm1      2.132 ppm2      4.387 CV     1
 OR {  342}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  342}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  342}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  343}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      3.400     1.400     1.400 peak   343 spectrum    1 weight  0.10000E+01 volume  0.19797E-02 ppm1      2.132 ppm2      4.157 CV     1
 OR {  343}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  343}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  343}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 83   and name HA  ))
 OR {  343}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
 OR {  343}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  343}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  349}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.800     1.800     1.800 peak   349 spectrum    1 weight  0.10000E+01 volume  0.99565E-03 ppm1      4.309 ppm2      2.129 CV     1
 OR {  349}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  349}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  349}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI {  351}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.000     1.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.16538E-02 ppm1      4.307 ppm2      8.273 CV     1
 OR {  351}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  356}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.21601E-02 ppm1      3.967 ppm2      8.265 CV     1
 OR {  356}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
 OR {  356}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HN  ))
 OR {  356}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
 ASSI {  370}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HB3 ))
      1.900     0.500     0.500 peak   370 spectrum    1 weight  0.10000E+01 volume  0.22364E-01 ppm1      2.326 ppm2      2.074 CV     1
 OR {  370}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  370}
   (( segid "    " and resid 61   and name HG3 ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  370}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  370}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  370}
   (( segid "    " and resid 61   and name HG3 ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  374}
   (( segid "    " and resid 61   and name HG3 ))
   (  segid "    " and resid 57   and name HG2%)
      3.900     1.900     1.900 peak   374 spectrum    1 weight  0.10000E+01 volume  0.67058E-03 ppm1      2.328 ppm2      1.268 CV     1
 OR {  374}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 57   and name HG2%)
 OR {  374}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 65   and name HB  ))
 ASSI {  392}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG3 ))
      2.800     1.000     1.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.33341E-02 ppm1      4.200 ppm2      2.295 CV     1
 OR {  392}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR {  392}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {  394}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
      3.100     1.200     1.200 peak   394 spectrum    1 weight  0.10000E+01 volume  0.14653E-02 ppm1      4.265 ppm2      4.137 CV     1
 OR {  394}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  395}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.600     1.600     1.600 peak   395 spectrum    1 weight  0.10000E+01 volume  0.12868E-02 ppm1      4.271 ppm2      2.130 CV     1
 OR {  395}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  395}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI {  399}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 45   and name HA  ))
      2.200     0.600     0.600 peak   399 spectrum    1 weight  0.10000E+01 volume  0.81721E-02 ppm1      1.478 ppm2      4.369 CV     1
 OR {  399}
   (  segid "    " and resid 107  and name HB% )
   (( segid "    " and resid 107  and name HA  ))
 ASSI {  401}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 100  and name HB3 ))
      2.800     1.000     1.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.33208E-02 ppm1      1.476 ppm2      2.108 CV     1
 OR {  401}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 100  and name HB2 ))
 OR {  401}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 45   and name HB2 ))
 OR {  401}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 45   and name HB3 ))
 ASSI {  402}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 45   and name HG2 ))
      4.500     2.500     1.500 peak   402 spectrum    1 weight  0.10000E+01 volume  0.78216E-03 ppm1      1.474 ppm2      2.532 CV     1
 OR {  402}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 45   and name HG3 ))
 OR {  402}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {  403}
   (  segid "    " and resid 104  and name HB% )
   (  segid "    " and resid 108  and name HD2%)
      3.800     1.800     1.800 peak   403 spectrum    1 weight  0.10000E+01 volume  0.26550E-02 ppm1      1.481 ppm2      0.886 CV     1
 OR {  403}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 49   and name HD1%)
 OR {  403}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 49   and name HD2%)
 OR {  403}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 124  and name HG12))
 ASSI {  405}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 87   and name HG3 ))
      4.000     2.000     2.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.62622E-03 ppm1      1.480 ppm2      1.000 CV     1
 OR {  405}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 52   and name HG2%)
 OR {  405}
   (  segid "    " and resid 51   and name HB% )
   (  segid "    " and resid 52   and name HG2%)
 ASSI {  407}
   (  segid "    " and resid 104  and name HB% )
   (  segid "    " and resid 77   and name HG1%)
      3.800     1.800     1.800 peak   407 spectrum    1 weight  0.10000E+01 volume  0.13213E-02 ppm1      1.476 ppm2      1.728 CV     1
 OR {  407}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 50   and name HG2 ))
 ASSI {  409}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 44   and name HB3 ))
      4.500     2.500     1.500 peak   409 spectrum    1 weight  0.10000E+01 volume  0.10311E-02 ppm1      4.264 ppm2      2.118 CV     1
 OR {  409}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  409}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI {  410}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 88   and name HD% )
      3.700     1.700     1.700 peak   410 spectrum    1 weight  0.10000E+01 volume  0.12276E-02 ppm1      1.475 ppm2      7.147 CV     1
 OR {  410}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 83   and name HH2 ))
 ASSI {  412}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 48   and name HN  ))
      2.300     0.700     0.700 peak   412 spectrum    1 weight  0.10000E+01 volume  0.67899E-02 ppm1      1.475 ppm2      8.073 CV     1
 OR {  412}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  413}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 105  and name HN  ))
      2.900     1.100     1.100 peak   413 spectrum    1 weight  0.10000E+01 volume  0.15918E-02 ppm1      1.478 ppm2      8.306 CV     1
 OR {  413}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  422}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 36   and name HD2%)
      2.400     0.700     0.700 peak   422 spectrum    1 weight  0.10000E+01 volume  0.55036E-02 ppm1      1.539 ppm2      0.887 CV     1
 OR {  422}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 49   and name HD1%)
 OR {  422}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 49   and name HD2%)
 OR {  422}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 49   and name HD1%)
 OR {  422}
   (( segid "    " and resid 36   and name HB3 ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI {  425}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      2.300     0.700     0.700 peak   425 spectrum    1 weight  0.10000E+01 volume  0.26393E-02 ppm1      1.540 ppm2      8.024 CV     1
 OR {  425}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
 OR {  425}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  426}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.200     0.600     0.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.44754E-02 ppm1      4.133 ppm2      8.018 CV     1
 OR {  426}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  429}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 53   and name HD% )
      4.400     2.500     1.600 peak   429 spectrum    1 weight  0.10000E+01 volume  0.72460E-03 ppm1      4.136 ppm2      7.119 CV     1
 OR {  429}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 83   and name HH2 ))
 ASSI {  432}
   (( segid "    " and resid 108  and name HA  ))
   (  segid "    " and resid 108  and name HD1%)
      3.400     1.400     1.400 peak   432 spectrum    1 weight  0.10000E+01 volume  0.22838E-02 ppm1      4.140 ppm2      1.057 CV     1
 OR {  432}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  433}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HD2%)
      1.900     0.400     0.400 peak   433 spectrum    1 weight  0.10000E+01 volume  0.19270E-01 ppm1      4.141 ppm2      0.875 CV     1
 OR {  433}
   (( segid "    " and resid 108  and name HA  ))
   (  segid "    " and resid 108  and name HD2%)
 ASSI {  437}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 36   and name HN  ))
      3.600     1.700     1.700 peak   437 spectrum    1 weight  0.10000E+01 volume  0.76376E-03 ppm1      1.644 ppm2      8.200 CV     1
 OR {  437}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  438}
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak   438 spectrum    1 weight  0.10000E+01 volume  0.19927E-02 ppm1      1.644 ppm2      8.031 CV     1
 OR {  438}
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  441}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 35   and name HG2 ))
      3.000     3.000     3.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.83396E-03 ppm1      1.641 ppm2      1.976 CV     1
 OR {  441}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 35   and name HG3 ))
 OR {  441}
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 121  and name HB  ))
 OR {  441}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 39   and name HG3 ))
 OR {  441}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 39   and name HG2 ))
 OR {  441}
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI {  443}
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.100     0.500     0.500 peak   443 spectrum    1 weight  0.10000E+01 volume  0.10303E-01 ppm1      1.646 ppm2      1.543 CV     1
 OR {  443}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 36   and name HB3 ))
 OR {  443}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  447}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 123  and name HB3 ))
      4.200     2.200     1.800 peak   447 spectrum    1 weight  0.10000E+01 volume  0.10133E-02 ppm1      0.905 ppm2      2.652 CV     1
 OR {  447}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 123  and name HB2 ))
 OR {  447}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  448}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 127  and name HG3 ))
      3.500     1.600     1.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.20145E-02 ppm1      0.905 ppm2      2.531 CV     1
 OR {  448}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 45   and name HG3 ))
 OR {  448}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 127  and name HG2 ))
 ASSI {  450}
   (  segid "    " and resid 49   and name HD1%)
   (( segid "    " and resid 50   and name HD2 ))
      3.100     1.200     1.200 peak   450 spectrum    1 weight  0.10000E+01 volume  0.35926E-02 ppm1      0.904 ppm2      1.512 CV     1
 OR {  450}
   (  segid "    " and resid 49   and name HD1%)
   (  segid "    " and resid 48   and name HB% )
 ASSI {  459}
   (  segid "    " and resid 49   and name HD1%)
   (  segid "    " and resid 53   and name HE% )
      3.200     1.300     1.300 peak   459 spectrum    1 weight  0.10000E+01 volume  0.19009E-02 ppm1      0.904 ppm2      7.154 CV     1
 OR {  459}
   (  segid "    " and resid 49   and name HD1%)
   (  segid "    " and resid 88   and name HD% )
 ASSI {  466}
   (  segid "    " and resid 49   and name HD2%)
   (  segid "    " and resid 88   and name HE% )
      3.200     1.300     1.300 peak   466 spectrum    1 weight  0.10000E+01 volume  0.12211E-02 ppm1      0.867 ppm2      7.273 CV     1
 OR {  466}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 53   and name HZ  ))
 ASSI {  468}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 49   and name HN  ))
      3.800     1.800     1.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.12649E-02 ppm1      0.866 ppm2      8.024 CV     1
 OR {  468}
   (  segid "    " and resid 49   and name HD2%)
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  469}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.700     1.700     1.700 peak   469 spectrum    1 weight  0.10000E+01 volume  0.12209E-02 ppm1      4.068 ppm2      3.064 CV     1
 OR {  469}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HE3 ))
 OR {  469}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HE2 ))
 OR {  469}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
 ASSI {  474}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 85   and name HG2%)
      3.000     1.100     1.100 peak   474 spectrum    1 weight  0.10000E+01 volume  0.22938E-02 ppm1      4.071 ppm2      1.013 CV     1
 OR {  474}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 131  and name HD1%)
 ASSI {  476}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 57   and name HB  ))
      3.200     1.300     1.300 peak   476 spectrum    1 weight  0.10000E+01 volume  0.15313E-02 ppm1      4.069 ppm2      4.214 CV     1
 OR {  476}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  485}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HB3 ))
      2.200     0.600     0.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.66831E-02 ppm1      1.742 ppm2      1.923 CV     1
 OR {  485}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  485}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  485}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {  485}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {  485}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HB3 ))
 ASSI {  487}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HD3 ))
      1.800     0.400     0.400 peak   487 spectrum    1 weight  0.10000E+01 volume  0.24194E-01 ppm1      1.747 ppm2      1.469 CV     1
 OR {  487}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 130  and name HG2 ))
 OR {  487}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  487}
   (( segid "    " and resid 130  and name HB3 ))
   (( segid "    " and resid 130  and name HG3 ))
 OR {  487}
   (( segid "    " and resid 130  and name HB3 ))
   (( segid "    " and resid 130  and name HG2 ))
 OR {  487}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 130  and name HG3 ))
 ASSI {  490}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HE2 ))
      2.600     0.800     0.800 peak   490 spectrum    1 weight  0.10000E+01 volume  0.67086E-02 ppm1      1.742 ppm2      3.024 CV     1
 OR {  490}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HE3 ))
 OR {  490}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HE2 ))
 OR {  490}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 58   and name HE2 ))
 OR {  490}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 58   and name HE3 ))
 OR {  490}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HE3 ))
 ASSI {  492}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.200     1.300     1.300 peak   492 spectrum    1 weight  0.10000E+01 volume  0.14524E-02 ppm1      1.741 ppm2      4.183 CV     1
 OR {  492}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  492}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  492}
   (( segid "    " and resid 130  and name HB3 ))
   (( segid "    " and resid 134  and name HA  ))
 OR {  492}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  492}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 52   and name HB  ))
 ASSI {  513}
   (( segid "    " and resid 42   and name HE2 ))
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.400     1.400 peak   513 spectrum    1 weight  0.10000E+01 volume  0.99643E-03 ppm1      3.012 ppm2      4.181 CV     1
 OR {  513}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  513}
   (( segid "    " and resid 97   and name HE2 ))
   (( segid "    " and resid 112  and name HA  ))
 OR {  513}
   (( segid "    " and resid 97   and name HE3 ))
   (( segid "    " and resid 112  and name HA  ))
 OR {  513}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  513}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  513}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 134  and name HA  ))
 OR {  513}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  513}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 134  and name HA  ))
 OR {  513}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 52   and name HB  ))
 ASSI {  515}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HG3 ))
      2.400     0.700     0.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.95329E-02 ppm1      3.015 ppm2      1.724 CV     1
 OR {  515}
   (( segid "    " and resid 42   and name HE2 ))
   (( segid "    " and resid 42   and name HG3 ))
 OR {  515}
   (( segid "    " and resid 42   and name HE2 ))
   (( segid "    " and resid 42   and name HG2 ))
 OR {  515}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HG2 ))
 OR {  515}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HG3 ))
 OR {  515}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HG3 ))
 ASSI {  519}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     1.000     1.000 peak   519 spectrum    1 weight  0.10000E+01 volume  0.31184E-02 ppm1      1.914 ppm2      4.177 CV     1
 OR {  519}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 55   and name HA1 ))
 OR {  519}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 57   and name HB  ))
 OR {  519}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 54   and name HB3 ))
 OR {  519}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  519}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 57   and name HB  ))
 OR {  519}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 54   and name HB3 ))
 OR {  519}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  519}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  525}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
      3.200     3.200     2.800 peak   525 spectrum    1 weight  0.10000E+01 volume  0.47648E-02 ppm1      1.916 ppm2      2.126 CV     1
 OR {  525}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  525}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 131  and name HB  ))
 OR {  525}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  525}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 131  and name HB  ))
 OR {  525}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI {  528}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 131  and name HD1%)
      4.500     2.500     1.500 peak   528 spectrum    1 weight  0.10000E+01 volume  0.10228E-02 ppm1      1.914 ppm2      0.993 CV     1
 OR {  528}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 131  and name HG2%)
 OR {  528}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  528}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 131  and name HD1%)
 ASSI {  529}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HA  ))
      3.200     1.200     1.200 peak   529 spectrum    1 weight  0.10000E+01 volume  0.34837E-02 ppm1      4.318 ppm2      4.164 CV     1
 OR {  529}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  529}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
 ASSI {  538}
   (  segid "    " and resid 107  and name HB% )
   (  segid "    " and resid 105  and name HD2%)
      4.400     2.500     1.600 peak   538 spectrum    1 weight  0.10000E+01 volume  0.63961E-03 ppm1      1.445 ppm2      1.245 CV     1
 OR {  538}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 131  and name HG12))
 OR {  538}
   (  segid "    " and resid 107  and name HB% )
   (( segid "    " and resid 129  and name HG  ))
 OR {  538}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 131  and name HG13))
 OR {  538}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 131  and name HG12))
 ASSI {  540}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.200     1.200 peak   540 spectrum    1 weight  0.10000E+01 volume  0.25506E-02 ppm1      1.441 ppm2      4.166 CV     1
 OR {  540}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
 OR {  540}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 52   and name HA  ))
 OR {  540}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 52   and name HB  ))
 OR {  540}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 52   and name HB  ))
 ASSI {  544}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 51   and name HN  ))
      2.400     0.700     0.700 peak   544 spectrum    1 weight  0.10000E+01 volume  0.52098E-02 ppm1      1.443 ppm2      8.050 CV     1
 OR {  544}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  547}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 83   and name HH2 ))
      4.100     2.100     1.900 peak   547 spectrum    1 weight  0.10000E+01 volume  0.61549E-03 ppm1      4.172 ppm2      7.129 CV     1
 OR {  547}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 53   and name HD% )
 ASSI {  549}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 51   and name HB% )
      3.500     1.500     1.500 peak   549 spectrum    1 weight  0.10000E+01 volume  0.13050E-02 ppm1      4.176 ppm2      1.448 CV     1
 OR {  549}
   (( segid "    " and resid 101  and name HB3 ))
   (  segid "    " and resid 103  and name HB% )
 OR {  549}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 103  and name HB% )
 ASSI {  550}
   (( segid "    " and resid 52   and name HB  ))
   (  segid "    " and resid 52   and name HG2%)
      2.100     0.600     0.600 peak   550 spectrum    1 weight  0.10000E+01 volume  0.81826E-02 ppm1      4.145 ppm2      1.009 CV     1
 OR {  550}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  552}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 83   and name HH2 ))
      4.200     2.200     1.800 peak   552 spectrum    1 weight  0.10000E+01 volume  0.11039E-02 ppm1      4.144 ppm2      7.132 CV     1
 OR {  552}
   (( segid "    " and resid 52   and name HB  ))
   (  segid "    " and resid 53   and name HD% )
 ASSI {  562}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
      1.700     0.300     0.500 peak   562 spectrum    1 weight  0.10000E+01 volume  0.19130E-01 ppm1      1.009 ppm2      4.156 CV     1
 OR {  562}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HB  ))
 ASSI {  573}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.10742E-01 ppm1      4.921 ppm2      4.185 CV     1
 OR {  573}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 55   and name HA2 ))
 OR {  573}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  573}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
 ASSI {  575}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 53   and name HD% )
      1.900     0.400     0.400 peak   575 spectrum    1 weight  0.10000E+01 volume  0.67820E-02 ppm1      4.921 ppm2      7.116 CV     1
 OR {  575}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 83   and name HH2 ))
 ASSI {  600}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 51   and name HB% )
      2.700     2.700     3.300 peak   600 spectrum    1 weight  0.10000E+01 volume  0.74585E-03 ppm1      4.146 ppm2      1.435 CV     1
 OR {  600}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 51   and name HB% )
 OR {  600}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 62   and name HG2 ))
 OR {  600}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 62   and name HG2 ))
 ASSI {  610}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 58   and name HA  ))
      4.100     2.100     1.900 peak   610 spectrum    1 weight  0.10000E+01 volume  0.10857E-02 ppm1      4.195 ppm2      4.079 CV     1
 OR {  610}
   (( segid "    " and resid 55   and name HA2 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  610}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI {  611}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.500     0.800     0.800 peak   611 spectrum    1 weight  0.10000E+01 volume  0.35533E-02 ppm1      3.487 ppm2      7.837 CV     1
 OR {  611}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {  615}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      3.300     1.300     1.300 peak   615 spectrum    1 weight  0.10000E+01 volume  0.17111E-02 ppm1      3.485 ppm2      7.376 CV     1
 OR {  615}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 134  and name HN  ))
 OR {  615}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 83   and name HD1 ))
 OR {  615}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 83   and name HZ2 ))
 ASSI {  616}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HE% )
      4.100     2.100     1.900 peak   616 spectrum    1 weight  0.10000E+01 volume  0.86355E-03 ppm1      3.487 ppm2      7.084 CV     1
 OR {  616}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 56   and name HE% )
 ASSI {  617}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      3.000     1.100     1.100 peak   617 spectrum    1 weight  0.10000E+01 volume  0.19736E-02 ppm1      3.487 ppm2      6.967 CV     1
 OR {  617}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 60   and name HE21))
 ASSI {  618}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 126  and name HH2 ))
      4.000     2.000     2.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.62101E-03 ppm1      3.486 ppm2      7.169 CV     1
 OR {  618}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 83   and name HH2 ))
 ASSI {  622}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 60   and name HE22))
      4.800     2.900     1.200 peak   622 spectrum    1 weight  0.10000E+01 volume  0.80916E-03 ppm1      3.491 ppm2      6.390 CV     1
 OR {  622}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 128  and name HD2 ))
 ASSI {  627}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HB  ))
      3.800     1.800     1.800 peak   627 spectrum    1 weight  0.10000E+01 volume  0.12746E-02 ppm1      3.487 ppm2      2.059 CV     1
 OR {  627}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 137  and name HB  ))
 OR {  627}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  630}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      4.500     2.500     1.500 peak   630 spectrum    1 weight  0.10000E+01 volume  0.65058E-03 ppm1      3.493 ppm2      1.559 CV     1
 OR {  630}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  630}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  630}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI {  631}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 60   and name HG2 ))
      3.600     1.700     1.700 peak   631 spectrum    1 weight  0.10000E+01 volume  0.15694E-02 ppm1      3.493 ppm2      1.417 CV     1
 OR {  631}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 60   and name HG3 ))
 OR {  631}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  643}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 132  and name HA  ))
      4.000     2.000     2.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.89136E-03 ppm1      4.069 ppm2      3.948 CV     1
 OR {  643}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  653}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      3.100     1.200     1.200 peak   653 spectrum    1 weight  0.10000E+01 volume  0.19084E-02 ppm1      4.066 ppm2      7.388 CV     1
 OR {  653}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI {  654}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      4.100     2.100     1.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.61587E-03 ppm1      4.066 ppm2      6.961 CV     1
 OR {  654}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HE21))
 ASSI {  661}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 58   and name HB2 ))
      4.000     2.000     2.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.80436E-03 ppm1      1.273 ppm2      1.948 CV     1
 OR {  661}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 135  and name HB2 ))
 OR {  661}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 58   and name HB3 ))
 ASSI {  666}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 61   and name HE21))
      3.000     1.100     1.100 peak   666 spectrum    1 weight  0.10000E+01 volume  0.31544E-02 ppm1      1.273 ppm2      7.384 CV     1
 OR {  666}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
 ASSI {  670}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 43   and name HB3 ))
      2.100     0.600     0.600 peak   670 spectrum    1 weight  0.10000E+01 volume  0.10292E-01 ppm1      1.946 ppm2      2.076 CV     1
 OR {  670}
   (( segid "    " and resid 39   and name HB3 ))
   (  segid "    " and resid 44   and name HE% )
 OR {  670}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 44   and name HE% )
 OR {  670}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 43   and name HB3 ))
 OR {  670}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  682}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.200     1.200     1.200 peak   682 spectrum    1 weight  0.10000E+01 volume  0.11700E-02 ppm1      1.760 ppm2      4.195 CV     1
 OR {  682}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  682}
   (( segid "    " and resid 130  and name HB3 ))
   (( segid "    " and resid 134  and name HA  ))
 OR {  682}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 134  and name HA  ))
 ASSI {  686}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 54   and name HB3 ))
      2.300     2.300     3.700 peak   686 spectrum    1 weight  0.10000E+01 volume  0.11746E-02 ppm1      1.556 ppm2      4.195 CV     1
 OR {  686}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 54   and name HB3 ))
 OR {  686}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  686}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 55   and name HA1 ))
 OR {  686}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  686}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 55   and name HA1 ))
 ASSI {  692}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HB3 ))
      3.200     1.300     1.300 peak   692 spectrum    1 weight  0.10000E+01 volume  0.10121E-02 ppm1      3.053 ppm2      1.942 CV     1
 OR {  692}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  692}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  692}
   (( segid "    " and resid 58   and name HE2 ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {  692}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI {  694}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      3.700     1.700     1.700 peak   694 spectrum    1 weight  0.10000E+01 volume  0.10675E-02 ppm1      4.453 ppm2      7.378 CV     1
 OR {  694}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI {  698}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.900     0.900 peak   698 spectrum    1 weight  0.10000E+01 volume  0.43111E-02 ppm1      4.452 ppm2      8.450 CV     1
 OR {  698}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI {  703}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 63   and name HG  ))
      3.400     1.400     1.400 peak   703 spectrum    1 weight  0.10000E+01 volume  0.20896E-02 ppm1      4.454 ppm2      1.544 CV     1
 OR {  703}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  703}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  703}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
 OR {  703}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  707}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 82   and name HG2 ))
      2.700     0.900     0.900 peak   707 spectrum    1 weight  0.10000E+01 volume  0.44342E-02 ppm1      4.453 ppm2      2.303 CV     1
 OR {  707}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  707}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 82   and name HG3 ))
 OR {  707}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI {  708}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 108  and name HD2%)
      4.100     2.100     1.900 peak   708 spectrum    1 weight  0.10000E+01 volume  0.18181E-02 ppm1      4.453 ppm2      0.860 CV     1
 OR {  708}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 63   and name HD1%)
 ASSI {  714}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 63   and name HG  ))
      3.600     1.600     1.600 peak   714 spectrum    1 weight  0.10000E+01 volume  0.14516E-02 ppm1      1.701 ppm2      1.546 CV     1
 OR {  714}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 63   and name HG  ))
 OR {  714}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  714}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  714}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 60   and name HB3 ))
 OR {  714}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  716}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 129  and name HB3 ))
      3.800     1.800     1.800 peak   716 spectrum    1 weight  0.10000E+01 volume  0.12017E-02 ppm1      1.702 ppm2      0.865 CV     1
 OR {  716}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 63   and name HD1%)
 OR {  716}
   (( segid "    " and resid 130  and name HB3 ))
   (( segid "    " and resid 129  and name HB3 ))
 OR {  716}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 63   and name HD1%)
 OR {  716}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 129  and name HB2 ))
 ASSI {  725}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 58   and name HN  ))
      3.400     1.400     1.400 peak   725 spectrum    1 weight  0.10000E+01 volume  0.26340E-02 ppm1      2.309 ppm2      7.365 CV     1
 OR {  725}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 61   and name HN  ))
 OR {  725}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI {  733}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 63   and name HG  ))
      3.000     1.200     1.200 peak   733 spectrum    1 weight  0.10000E+01 volume  0.17022E-02 ppm1      2.309 ppm2      1.552 CV     1
 OR {  733}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  733}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  733}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 63   and name HG  ))
 OR {  733}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  733}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  742}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 55   and name HA1 ))
      2.500     2.500     3.500 peak   742 spectrum    1 weight  0.10000E+01 volume  0.10286E-02 ppm1      2.314 ppm2      4.166 CV     1
 OR {  742}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 55   and name HA2 ))
 OR {  742}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 57   and name HB  ))
 OR {  742}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 55   and name HA1 ))
 OR {  742}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  743}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 56   and name HB3 ))
      3.200     3.200     2.800 peak   743 spectrum    1 weight  0.10000E+01 volume  0.42363E-02 ppm1      3.338 ppm2      1.835 CV     1
 OR {  743}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  743}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI {  751}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
      3.400     1.400     1.400 peak   751 spectrum    1 weight  0.10000E+01 volume  0.31129E-02 ppm1      3.338 ppm2      3.483 CV     1
 OR {  751}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI {  766}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      4.000     2.000     2.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.91236E-03 ppm1      1.553 ppm2      6.942 CV     1
 OR {  766}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HE21))
 OR {  766}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HE21))
 OR {  766}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 56   and name HZ  ))
 OR {  766}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI {  767}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
      4.300     2.300     1.700 peak   767 spectrum    1 weight  0.10000E+01 volume  0.72164E-03 ppm1      1.556 ppm2      7.852 CV     1
 OR {  767}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
 OR {  767}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  796}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HE21))
      2.800     1.000     1.000 peak   796 spectrum    1 weight  0.10000E+01 volume  0.13683E-02 ppm1      1.372 ppm2      6.939 CV     1
 OR {  796}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HE21))
 OR {  796}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 56   and name HZ  ))
 OR {  796}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 72   and name HZ2 ))
 OR {  796}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 72   and name HZ2 ))
 ASSI {  803}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 66   and name HB2 ))
      3.300     1.400     1.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.33653E-02 ppm1      1.373 ppm2      1.837 CV     1
 OR {  803}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  803}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  803}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  803}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  803}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 66   and name HB3 ))
 ASSI {  826}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HB2 ))
      3.200     1.300     1.300 peak   826 spectrum    1 weight  0.10000E+01 volume  0.29219E-02 ppm1      2.070 ppm2      1.942 CV     1
 OR {  826}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  826}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  826}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  826}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  826}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {  827}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 58   and name HG3 ))
      3.400     1.500     1.500 peak   827 spectrum    1 weight  0.10000E+01 volume  0.59047E-03 ppm1      2.070 ppm2      1.773 CV     1
 OR {  827}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  827}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  827}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  827}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  827}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 105  and name HB3 ))
 OR {  827}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 105  and name HB3 ))
 ASSI {  905}
   (( segid "    " and resid 108  and name HB3 ))
   (  segid "    " and resid 105  and name HD1%)
      3.100     1.200     1.200 peak   905 spectrum    1 weight  0.10000E+01 volume  0.72129E-02 ppm1      1.523 ppm2      1.392 CV     1
 OR {  905}
   (( segid "    " and resid 108  and name HB2 ))
   (  segid "    " and resid 105  and name HD1%)
 OR {  905}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 60   and name HG3 ))
 OR {  905}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  909}
   (( segid "    " and resid 108  and name HB3 ))
   (  segid "    " and resid 108  and name HD2%)
      2.200     0.600     0.600 peak   909 spectrum    1 weight  0.10000E+01 volume  0.72471E-02 ppm1      1.521 ppm2      0.855 CV     1
 OR {  909}
   (( segid "    " and resid 63   and name HB3 ))
   (  segid "    " and resid 63   and name HD1%)
 OR {  909}
   (( segid "    " and resid 63   and name HB2 ))
   (  segid "    " and resid 63   and name HD2%)
 OR {  909}
   (( segid "    " and resid 63   and name HB2 ))
   (  segid "    " and resid 63   and name HD1%)
 OR {  909}
   (( segid "    " and resid 63   and name HB3 ))
   (  segid "    " and resid 63   and name HD2%)
 ASSI {  913}
   (( segid "    " and resid 63   and name HG  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.200     2.200     3.800 peak   913 spectrum    1 weight  0.10000E+01 volume  0.95629E-02 ppm1      1.528 ppm2      1.704 CV     1
 OR {  913}
   (( segid "    " and resid 78   and name HG3 ))
   (  segid "    " and resid 77   and name HG1%)
 OR {  913}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 77   and name HG1%)
 ASSI {  914}
   (( segid "    " and resid 63   and name HG  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.600     1.600     1.600 peak   914 spectrum    1 weight  0.10000E+01 volume  0.87347E-03 ppm1      1.528 ppm2      1.900 CV     1
 OR {  914}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 81   and name HB  ))
 OR {  914}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 81   and name HB  ))
 ASSI {  929}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
      2.800     2.800     3.200 peak   929 spectrum    1 weight  0.10000E+01 volume  0.13098E-02 ppm1      0.865 ppm2      4.438 CV     1
 OR {  929}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
 ASSI {  932}
   (  segid "    " and resid 121  and name HG1%)
   (  segid "    " and resid 124  and name HG2%)
      2.500     0.800     0.800 peak   932 spectrum    1 weight  0.10000E+01 volume  0.72083E-02 ppm1      0.833 ppm2      0.636 CV     1
 OR {  932}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 116  and name HB3 ))
 ASSI {  933}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 116  and name HG  ))
      2.900     2.900     3.100 peak   933 spectrum    1 weight  0.10000E+01 volume  0.64503E-02 ppm1      0.835 ppm2      1.622 CV     1
 OR {  933}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 49   and name HG  ))
 ASSI {  936}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 124  and name HB  ))
      2.700     0.900     0.900 peak   936 spectrum    1 weight  0.10000E+01 volume  0.76230E-02 ppm1      0.837 ppm2      1.812 CV     1
 OR {  936}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 118  and name HB2 ))
 OR {  936}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 90   and name HG  ))
 OR {  936}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 118  and name HB3 ))
 ASSI {  940}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 122  and name HA2 ))
      2.400     0.700     0.700 peak   940 spectrum    1 weight  0.10000E+01 volume  0.41181E-02 ppm1      0.842 ppm2      3.744 CV     1
 OR {  940}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 122  and name HA1 ))
 OR {  940}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 126  and name HA  ))
 ASSI {  945}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 117  and name HN  ))
      4.100     2.100     1.900 peak   945 spectrum    1 weight  0.10000E+01 volume  0.99640E-03 ppm1      0.843 ppm2      7.164 CV     1
 OR {  945}
   (  segid "    " and resid 121  and name HG1%)
   (  segid "    " and resid 88   and name HD% )
 OR {  945}
   (  segid "    " and resid 121  and name HG1%)
   (  segid "    " and resid 98   and name HD% )
 ASSI {  948}
   (  segid "    " and resid 121  and name HG1%)
   (  segid "    " and resid 113  and name HE% )
      3.300     1.300     1.300 peak   948 spectrum    1 weight  0.10000E+01 volume  0.17145E-02 ppm1      0.843 ppm2      7.796 CV     1
 OR {  948}
   (  segid "    " and resid 114  and name HD2%)
   (  segid "    " and resid 113  and name HE% )
 ASSI {  950}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 123  and name HN  ))
      2.700     0.900     0.900 peak   950 spectrum    1 weight  0.10000E+01 volume  0.48128E-02 ppm1      0.836 ppm2      8.033 CV     1
 OR {  950}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 63   and name HN  ))
 ASSI {  951}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 122  and name HN  ))
      3.100     1.200     1.200 peak   951 spectrum    1 weight  0.10000E+01 volume  0.24458E-02 ppm1      0.829 ppm2      7.948 CV     1
 OR {  951}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 122  and name HN  ))
 ASSI {  952}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 113  and name HZ  ))
      3.900     1.900     1.900 peak   952 spectrum    1 weight  0.10000E+01 volume  0.71162E-03 ppm1      0.833 ppm2      7.555 CV     1
 OR {  952}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 113  and name HZ  ))
 ASSI {  968}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB  ))
      3.000     1.100     1.100 peak   968 spectrum    1 weight  0.10000E+01 volume  0.14285E-02 ppm1      3.496 ppm2      1.224 CV     1
 OR {  968}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 129  and name HG  ))
 ASSI {  975}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 63   and name HB3 ))
      3.100     1.200     1.200 peak   975 spectrum    1 weight  0.10000E+01 volume  0.28641E-02 ppm1      1.225 ppm2      1.550 CV     1
 OR {  975}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  975}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 60   and name HB3 ))
 OR {  975}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 1001}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 60   and name HE21))
      2.400     0.700     0.700 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.54461E-02 ppm1      0.309 ppm2      6.949 CV     1
 OR { 1001}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 72   and name HZ2 ))
 ASSI { 1004}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 72   and name HD1 ))
      2.800     1.000     1.000 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.40938E-02 ppm1      0.309 ppm2      6.369 CV     1
 OR { 1004}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 60   and name HE22))
 ASSI { 1006}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.15365E-02 ppm1      0.309 ppm2      4.280 CV     1
 OR { 1006}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 1015}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 60   and name HB2 ))
      3.400     1.400     1.400 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.43721E-02 ppm1      0.309 ppm2      1.555 CV     1
 OR { 1015}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 63   and name HB3 ))
 OR { 1015}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 60   and name HB3 ))
 OR { 1015}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 1018}
   (  segid "    " and resid 65   and name HG2%)
   (  segid "    " and resid 63   and name HD1%)
      4.600     2.600     1.400 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.85146E-03 ppm1      0.308 ppm2      0.856 CV     1
 OR { 1018}
   (  segid "    " and resid 65   and name HG2%)
   (  segid "    " and resid 132  and name HD2%)
 ASSI { 1033}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
      4.400     2.400     1.600 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.10432E-02 ppm1      0.644 ppm2      1.844 CV     1
 OR { 1033}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 66   and name HB2 ))
 OR { 1033}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 66   and name HB3 ))
 ASSI { 1047}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 80   and name HN  ))
      3.600     1.600     1.600 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.14581E-02 ppm1      0.642 ppm2      8.471 CV     1
 OR { 1047}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1050}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 63   and name HN  ))
      2.900     2.900     3.100 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.74815E-03 ppm1      0.642 ppm2      8.038 CV     1
 OR { 1050}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 80   and name HE3 ))
 ASSI { 1071}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 122  and name HN  ))
      3.500     1.500     1.500 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.11228E-02 ppm1      1.829 ppm2      7.960 CV     1
 OR { 1071}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 135  and name HN  ))
 OR { 1071}
   (( segid "    " and resid 134  and name HB3 ))
   (( segid "    " and resid 135  and name HN  ))
 OR { 1071}
   (( segid "    " and resid 118  and name HB3 ))
   (( segid "    " and resid 122  and name HN  ))
 ASSI { 1072}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 45   and name HG2 ))
      2.700     2.700     3.300 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.11777E-01 ppm1      1.830 ppm2      2.559 CV     1
 OR { 1072}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 45   and name HG2 ))
 OR { 1072}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 45   and name HG3 ))
 OR { 1072}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 45   and name HG3 ))
 OR { 1072}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 88   and name HB3 ))
 OR { 1072}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI { 1079}
   (( segid "    " and resid 118  and name HD2 ))
   (( segid "    " and resid 121  and name HB  ))
      2.100     0.500     0.500 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.61787E-02 ppm1      3.157 ppm2      2.020 CV     1
 OR { 1079}
   (( segid "    " and resid 118  and name HD3 ))
   (( segid "    " and resid 118  and name HG3 ))
 OR { 1079}
   (( segid "    " and resid 118  and name HD2 ))
   (( segid "    " and resid 118  and name HG2 ))
 OR { 1079}
   (( segid "    " and resid 118  and name HD3 ))
   (( segid "    " and resid 118  and name HG2 ))
 OR { 1079}
   (( segid "    " and resid 118  and name HD2 ))
   (( segid "    " and resid 118  and name HG3 ))
 ASSI { 1082}
   (( segid "    " and resid 118  and name HD3 ))
   (( segid "    " and resid 93   and name HA  ))
      3.400     1.500     1.500 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.11370E-02 ppm1      3.155 ppm2      3.648 CV     1
 OR { 1082}
   (( segid "    " and resid 118  and name HD2 ))
   (( segid "    " and resid 121  and name HA  ))
 OR { 1082}
   (( segid "    " and resid 118  and name HD3 ))
   (( segid "    " and resid 121  and name HA  ))
 ASSI { 1090}
   (( segid "    " and resid 118  and name HD2 ))
   (  segid "    " and resid 93   and name HG2%)
      3.200     1.200     1.200 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.16639E-02 ppm1      3.154 ppm2      0.585 CV     1
 OR { 1090}
   (( segid "    " and resid 118  and name HD3 ))
   (  segid "    " and resid 93   and name HG2%)
 OR { 1090}
   (( segid "    " and resid 118  and name HD2 ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 1114}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 121  and name HB  ))
      2.000     0.500     0.500 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.10791E-01 ppm1      1.810 ppm2      2.026 CV     1
 OR { 1114}
   (( segid "    " and resid 118  and name HB3 ))
   (( segid "    " and resid 118  and name HG3 ))
 OR { 1114}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 118  and name HG2 ))
 OR { 1114}
   (( segid "    " and resid 118  and name HB3 ))
   (( segid "    " and resid 118  and name HG2 ))
 OR { 1114}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 118  and name HG3 ))
 OR { 1114}
   (( segid "    " and resid 118  and name HB3 ))
   (( segid "    " and resid 121  and name HB  ))
 ASSI { 1143}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 76   and name HE1 ))
      3.900     1.900     1.900 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.74029E-03 ppm1      1.974 ppm2      7.909 CV     1
 OR { 1143}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 76   and name HE1 ))
 OR { 1143}
   (( segid "    " and resid 35   and name HG3 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1161}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 130  and name HA  ))
      4.300     2.300     1.700 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.71758E-03 ppm1      3.896 ppm2      3.484 CV     1
 OR { 1161}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI { 1166}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HD3 ))
      3.200     1.300     1.300 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.42184E-02 ppm1      3.894 ppm2      1.426 CV     1
 OR { 1166}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 1166}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 130  and name HG3 ))
 ASSI { 1167}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
      2.900     1.000     1.000 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.31858E-02 ppm1      3.893 ppm2      1.522 CV     1
 OR { 1167}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
 OR { 1167}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 50   and name HD3 ))
 ASSI { 1171}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 129  and name HB3 ))
      4.000     2.000     2.000 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.81466E-03 ppm1      3.892 ppm2      0.886 CV     1
 OR { 1171}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 132  and name HD2%)
 OR { 1171}
   (( segid "    " and resid 127  and name HA  ))
   (  segid "    " and resid 49   and name HD1%)
 OR { 1171}
   (( segid "    " and resid 127  and name HA  ))
   (  segid "    " and resid 49   and name HD2%)
 ASSI { 1172}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 126  and name HD1 ))
      3.400     1.400     1.400 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.14720E-02 ppm1      3.892 ppm2      7.096 CV     1
 OR { 1172}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 56   and name HE% )
 ASSI { 1177}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 60   and name HE21))
      4.600     2.600     1.400 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.67834E-03 ppm1      1.756 ppm2      6.934 CV     1
 OR { 1177}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 60   and name HE21))
 OR { 1177}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 72   and name HZ2 ))
 ASSI { 1186}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 45   and name HG2 ))
      3.500     1.600     1.600 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.90816E-03 ppm1      1.662 ppm2      2.556 CV     1
 OR { 1186}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 45   and name HG2 ))
 OR { 1186}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 94   and name HB2 ))
 OR { 1186}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 94   and name HB3 ))
 OR { 1186}
   (( segid "    " and resid 97   and name HG2 ))
   (( segid "    " and resid 94   and name HB2 ))
 OR { 1186}
   (( segid "    " and resid 97   and name HG2 ))
   (( segid "    " and resid 94   and name HB3 ))
 ASSI { 1187}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HD3 ))
      1.700     0.300     0.500 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.45556E-01 ppm1      1.662 ppm2      1.415 CV     1
 OR { 1187}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 91   and name HD2 ))
 OR { 1187}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HD3 ))
 OR { 1187}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HD2 ))
 OR { 1187}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 1187}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 1187}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD3 ))
 OR { 1187}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HD3 ))
 OR { 1187}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HD2 ))
 OR { 1187}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HD3 ))
 OR { 1187}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HD2 ))
 OR { 1187}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 91   and name HD3 ))
 ASSI { 1188}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 50   and name HD3 ))
      2.100     2.100     3.900 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.28747E-01 ppm1      1.662 ppm2      1.508 CV     1
 OR { 1188}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 50   and name HD3 ))
 OR { 1188}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR { 1188}
   (( segid "    " and resid 42   and name HG3 ))
   (  segid "    " and resid 48   and name HB% )
 OR { 1188}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR { 1188}
   (( segid "    " and resid 42   and name HG2 ))
   (  segid "    " and resid 48   and name HB% )
 OR { 1188}
   (( segid "    " and resid 97   and name HG2 ))
   (( segid "    " and resid 108  and name HB3 ))
 OR { 1188}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 108  and name HB3 ))
 OR { 1188}
   (( segid "    " and resid 97   and name HG2 ))
   (( segid "    " and resid 108  and name HB2 ))
 OR { 1188}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 108  and name HB2 ))
 ASSI { 1196}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HE3 ))
      2.900     2.900     3.100 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.13892E-02 ppm1      1.526 ppm2      3.055 CV     1
 OR { 1196}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HE3 ))
 OR { 1196}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HE2 ))
 OR { 1196}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HE3 ))
 OR { 1196}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HE3 ))
 OR { 1196}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HE2 ))
 ASSI { 1198}
   (( segid "    " and resid 97   and name HE3 ))
   (( segid "    " and resid 97   and name HA  ))
      3.900     1.900     1.900 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.10072E-02 ppm1      2.990 ppm2      3.999 CV     1
 OR { 1198}
   (( segid "    " and resid 97   and name HE2 ))
   (( segid "    " and resid 97   and name HA  ))
 OR { 1198}
   (( segid "    " and resid 97   and name HE3 ))
   (( segid "    " and resid 113  and name HA  ))
 ASSI { 1201}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HD3 ))
      2.300     0.700     0.700 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.58410E-02 ppm1      2.994 ppm2      1.463 CV     1
 OR { 1201}
   (( segid "    " and resid 67   and name HE3 ))
   (( segid "    " and resid 67   and name HD3 ))
 OR { 1201}
   (( segid "    " and resid 91   and name HE2 ))
   (( segid "    " and resid 91   and name HD3 ))
 OR { 1201}
   (( segid "    " and resid 91   and name HE3 ))
   (( segid "    " and resid 91   and name HD2 ))
 OR { 1201}
   (( segid "    " and resid 67   and name HE2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 1201}
   (( segid "    " and resid 67   and name HE3 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 1201}
   (( segid "    " and resid 67   and name HE2 ))
   (( segid "    " and resid 67   and name HD3 ))
 OR { 1201}
   (( segid "    " and resid 91   and name HE2 ))
   (( segid "    " and resid 91   and name HD2 ))
 OR { 1201}
   (( segid "    " and resid 91   and name HE3 ))
   (( segid "    " and resid 91   and name HD3 ))
 ASSI { 1202}
   (( segid "    " and resid 97   and name HE3 ))
   (( segid "    " and resid 97   and name HG2 ))
      2.100     0.500     0.500 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.18401E-01 ppm1      2.994 ppm2      1.671 CV     1
 OR { 1202}
   (( segid "    " and resid 91   and name HE2 ))
   (( segid "    " and resid 91   and name HG3 ))
 OR { 1202}
   (( segid "    " and resid 91   and name HE3 ))
   (( segid "    " and resid 91   and name HG3 ))
 OR { 1202}
   (( segid "    " and resid 91   and name HE2 ))
   (( segid "    " and resid 91   and name HG2 ))
 OR { 1202}
   (( segid "    " and resid 42   and name HE2 ))
   (( segid "    " and resid 42   and name HG3 ))
 OR { 1202}
   (( segid "    " and resid 91   and name HE3 ))
   (( segid "    " and resid 91   and name HG2 ))
 OR { 1202}
   (( segid "    " and resid 42   and name HE2 ))
   (( segid "    " and resid 42   and name HG2 ))
 OR { 1202}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HG2 ))
 OR { 1202}
   (( segid "    " and resid 97   and name HE2 ))
   (( segid "    " and resid 97   and name HG2 ))
 OR { 1202}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HG3 ))
 OR { 1202}
   (( segid "    " and resid 97   and name HE2 ))
   (( segid "    " and resid 97   and name HG3 ))
 OR { 1202}
   (( segid "    " and resid 67   and name HE3 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 1205}
   (( segid "    " and resid 97   and name HE3 ))
   (( segid "    " and resid 115  and name HB2 ))
      4.000     2.000     2.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.66571E-03 ppm1      2.994 ppm2      2.037 CV     1
 OR { 1205}
   (( segid "    " and resid 50   and name HE3 ))
   (  segid "    " and resid 45   and name HE% )
 OR { 1205}
   (( segid "    " and resid 97   and name HE3 ))
   (( segid "    " and resid 115  and name HB3 ))
 OR { 1205}
   (( segid "    " and resid 97   and name HE2 ))
   (  segid "    " and resid 100  and name HE% )
 OR { 1205}
   (( segid "    " and resid 50   and name HE2 ))
   (  segid "    " and resid 45   and name HE% )
 OR { 1205}
   (( segid "    " and resid 97   and name HE3 ))
   (  segid "    " and resid 100  and name HE% )
 ASSI { 1206}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HG3 ))
      2.600     0.900     0.900 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.66156E-02 ppm1      2.994 ppm2      1.758 CV     1
 OR { 1206}
   (( segid "    " and resid 67   and name HE2 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 1206}
   (( segid "    " and resid 67   and name HE2 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR { 1206}
   (( segid "    " and resid 67   and name HE3 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 1206}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR { 1206}
   (( segid "    " and resid 67   and name HE3 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR { 1206}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR { 1206}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR { 1206}
   (( segid "    " and resid 91   and name HE3 ))
   (( segid "    " and resid 91   and name HB2 ))
 ASSI { 1208}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.700     3.700     2.300 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.21196E-02 ppm1      4.686 ppm2      3.491 CV     1
 OR { 1208}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 130  and name HA  ))
 OR { 1208}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 ASSI { 1214}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.21872E-02 ppm1      1.198 ppm2      7.629 CV     1
 OR { 1214}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 71   and name HE21))
 ASSI { 1216}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HD1 ))
      2.900     2.900     3.100 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.18156E-02 ppm1      1.199 ppm2      6.358 CV     1
 OR { 1216}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 60   and name HE22))
 ASSI { 1232}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 70   and name HD2 ))
      3.700     1.700     1.700 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.12659E-02 ppm1     -0.286 ppm2      3.480 CV     1
 OR { 1232}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 72   and name HB2 ))
 OR { 1232}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 72   and name HB2 ))
 OR { 1232}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR { 1232}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR { 1232}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 70   and name HD3 ))
 ASSI { 1246}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
      3.800     1.800     1.800 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.15306E-02 ppm1      1.077 ppm2     -0.283 CV     1
 OR { 1246}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 110  and name HG3 ))
 OR { 1246}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 110  and name HG2 ))
 ASSI { 1255}
   (( segid "    " and resid 65   and name HG13))
   (( segid "    " and resid 65   and name HB  ))
      2.900     1.000     1.000 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.13095E-02 ppm1      0.781 ppm2      1.210 CV     1
 OR { 1255}
   (( segid "    " and resid 65   and name HG12))
   (( segid "    " and resid 65   and name HB  ))
 OR { 1255}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR { 1255}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 1256}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 133  and name HB3 ))
      3.700     1.700     1.700 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.80658E-03 ppm1      0.781 ppm2      1.783 CV     1
 OR { 1256}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 133  and name HB3 ))
 OR { 1256}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 133  and name HB2 ))
 OR { 1256}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 133  and name HB2 ))
 OR { 1256}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 105  and name HB3 ))
 OR { 1256}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 133  and name HG2 ))
 OR { 1256}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 133  and name HG3 ))
 OR { 1256}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 105  and name HB3 ))
 ASSI { 1257}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 105  and name HB3 ))
      3.600     1.600     1.600 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.10377E-02 ppm1      1.074 ppm2      1.776 CV     1
 OR { 1257}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 130  and name HB2 ))
 OR { 1257}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 130  and name HB3 ))
 OR { 1257}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 133  and name HB3 ))
 OR { 1257}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 125  and name HG  ))
 ASSI { 1259}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 70   and name HD2 ))
      3.100     3.100     2.900 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.22271E-02 ppm1      1.078 ppm2      3.484 CV     1
 OR { 1259}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 130  and name HA  ))
 ASSI { 1261}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 70   and name HD2 ))
      2.300     0.700     0.700 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.33276E-02 ppm1      0.778 ppm2      3.481 CV     1
 OR { 1261}
   (( segid "    " and resid 65   and name HG12))
   (( segid "    " and resid 65   and name HA  ))
 OR { 1261}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR { 1261}
   (( segid "    " and resid 65   and name HG13))
   (( segid "    " and resid 65   and name HA  ))
 OR { 1261}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 70   and name HD3 ))
 ASSI { 1283}
   (( segid "    " and resid 69   and name HD3 ))
   (  segid "    " and resid 105  and name HD1%)
      4.300     2.300     1.700 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.74988E-03 ppm1      3.384 ppm2      1.431 CV     1
 OR { 1283}
   (( segid "    " and resid 69   and name HD2 ))
   (  segid "    " and resid 105  and name HD1%)
 OR { 1283}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 134  and name HD3 ))
 OR { 1283}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 134  and name HD2 ))
 OR { 1283}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 130  and name HG3 ))
 OR { 1283}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 130  and name HG2 ))
 OR { 1283}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 130  and name HG2 ))
 ASSI { 1296}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 106  and name HB3 ))
      4.400     2.400     1.600 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.71552E-03 ppm1      4.441 ppm2      2.692 CV     1
 OR { 1296}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 106  and name HB2 ))
 OR { 1296}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 66   and name HD2 ))
 OR { 1296}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 66   and name HD3 ))
 ASSI { 1313}
   (( segid "    " and resid 61   and name HG3 ))
   (( segid "    " and resid 57   and name HB  ))
      3.100     3.100     2.900 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.61825E-03 ppm1      2.313 ppm2      4.177 CV     1
 OR { 1313}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 57   and name HB  ))
 OR { 1313}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 101  and name HB3 ))
 OR { 1313}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 101  and name HB2 ))
 OR { 1313}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 101  and name HB3 ))
 OR { 1313}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 101  and name HB2 ))
 ASSI { 1348}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 75   and name HB  ))
      4.100     2.100     1.900 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.97150E-03 ppm1      1.449 ppm2      3.741 CV     1
 OR { 1348}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 102  and name HA2 ))
 ASSI { 1357}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 77   and name HG1%)
      3.500     1.600     1.600 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.13707E-02 ppm1      4.432 ppm2      1.691 CV     1
 OR { 1357}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HG3 ))
 ASSI { 1358}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB3 ))
      2.500     0.800     0.800 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.64365E-02 ppm1      4.434 ppm2      2.011 CV     1
 OR { 1358}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
 OR { 1358}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HG3 ))
 ASSI { 1365}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      3.100     1.200     1.200 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.18773E-02 ppm1      4.431 ppm2      8.277 CV     1
 OR { 1365}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 1366}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      3.200     1.300     1.300 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.12477E-02 ppm1      4.428 ppm2      8.444 CV     1
 OR { 1366}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1371}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 100  and name HN  ))
      3.800     1.800     1.800 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.74907E-03 ppm1      1.990 ppm2      8.443 CV     1
 OR { 1371}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
 OR { 1371}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1380}
   (( segid "    " and resid 115  and name HG2 ))
   (( segid "    " and resid 110  and name HE2 ))
      1.700     1.700     4.300 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.11099E-01 ppm1      2.263 ppm2      2.509 CV     1
 OR { 1380}
   (( segid "    " and resid 115  and name HG3 ))
   (( segid "    " and resid 110  and name HE2 ))
 OR { 1380}
   (( segid "    " and resid 115  and name HG3 ))
   (( segid "    " and resid 110  and name HE3 ))
 OR { 1380}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR { 1380}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1381}
   (( segid "    " and resid 135  and name HG2 ))
   (( segid "    " and resid 132  and name HA  ))
      3.700     1.700     1.700 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.87434E-03 ppm1      2.241 ppm2      3.940 CV     1
 OR { 1381}
   (( segid "    " and resid 135  and name HG3 ))
   (( segid "    " and resid 132  and name HA  ))
 OR { 1381}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 75   and name HA  ))
 OR { 1381}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 75   and name HA  ))
 OR { 1381}
   (( segid "    " and resid 115  and name HG3 ))
   (( segid "    " and resid 114  and name HA  ))
 OR { 1381}
   (( segid "    " and resid 115  and name HG2 ))
   (( segid "    " and resid 114  and name HA  ))
 ASSI { 1395}
   (( segid "    " and resid 115  and name HG2 ))
   (( segid "    " and resid 114  and name HN  ))
      3.700     1.700     1.700 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.12076E-02 ppm1      2.263 ppm2      8.447 CV     1
 OR { 1395}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 100  and name HN  ))
 OR { 1395}
   (( segid "    " and resid 115  and name HG3 ))
   (( segid "    " and resid 114  and name HN  ))
 OR { 1395}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 32   and name HN  ))
 OR { 1395}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1396}
   (( segid "    " and resid 115  and name HG2 ))
   (( segid "    " and resid 114  and name HN  ))
      3.900     1.900     1.900 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.90171E-03 ppm1      2.235 ppm2      8.448 CV     1
 OR { 1396}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 100  and name HN  ))
 OR { 1396}
   (( segid "    " and resid 115  and name HG3 ))
   (( segid "    " and resid 114  and name HN  ))
 OR { 1396}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 100  and name HN  ))
 ASSI { 1421}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
      3.600     1.700     1.700 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.23096E-02 ppm1      4.280 ppm2      3.497 CV     1
 OR { 1421}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
 OR { 1421}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1433}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.100     1.200     1.200 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.16875E-02 ppm1      4.281 ppm2      8.452 CV     1
 OR { 1433}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1438}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 76   and name HA  ))
      4.400     2.400     1.600 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.85160E-03 ppm1      3.497 ppm2      4.290 CV     1
 OR { 1438}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
 OR { 1438}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 105  and name HA  ))
 ASSI { 1442}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 75   and name HB  ))
      3.900     1.900     1.900 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.17784E-02 ppm1      2.256 ppm2      3.730 CV     1
 OR { 1442}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 102  and name HA2 ))
 OR { 1442}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 102  and name HA1 ))
 OR { 1442}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 102  and name HA1 ))
 ASSI { 1459}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.000     1.100     1.100 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.14949E-02 ppm1      4.085 ppm2      8.483 CV     1
 OR { 1459}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1464}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 100  and name HN  ))
      3.800     1.800     1.800 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.61738E-03 ppm1      2.693 ppm2      8.425 CV     1
 OR { 1464}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1474}
   (  segid "    " and resid 77   and name HG1%)
   (  segid "    " and resid 104  and name HB% )
      4.100     2.100     1.900 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.13929E-02 ppm1      1.695 ppm2      1.498 CV     1
 OR { 1474}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 108  and name HB3 ))
 ASSI { 1475}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 100  and name HG2 ))
      4.000     2.000     2.000 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.11615E-02 ppm1      1.695 ppm2      2.227 CV     1
 OR { 1475}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 100  and name HG3 ))
 OR { 1475}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 76   and name HB2 ))
 ASSI { 1478}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 81   and name HB  ))
      3.600     1.600     1.600 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.17034E-02 ppm1      1.695 ppm2      1.880 CV     1
 OR { 1478}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 105  and name HG  ))
 ASSI { 1482}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 98   and name HB3 ))
      3.000     1.100     1.100 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.26823E-02 ppm1      1.695 ppm2      2.790 CV     1
 OR { 1482}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 80   and name HB3 ))
 OR { 1482}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 98   and name HB2 ))
 ASSI { 1486}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 74   and name HA  ))
      3.400     1.400     1.400 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.21461E-02 ppm1      1.695 ppm2      4.422 CV     1
 OR { 1486}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 98   and name HA  ))
 ASSI { 1489}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 80   and name HZ3 ))
      2.400     0.700     0.700 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.35810E-02 ppm1      1.695 ppm2      7.124 CV     1
 OR { 1489}
   (  segid "    " and resid 77   and name HG1%)
   (  segid "    " and resid 98   and name HD% )
 ASSI { 1491}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 100  and name HN  ))
      3.000     1.200     1.200 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.16451E-02 ppm1      1.694 ppm2      8.447 CV     1
 OR { 1491}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1492}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 77   and name HN  ))
      3.600     1.600     1.600 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.18923E-02 ppm1      1.694 ppm2      8.277 CV     1
 OR { 1492}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 105  and name HN  ))
 ASSI { 1496}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 100  and name HN  ))
      3.600     1.600     1.600 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.15958E-02 ppm1      1.608 ppm2      8.448 CV     1
 OR { 1496}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 103  and name HN  ))
 ASSI { 1507}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.42024E-02 ppm1      1.608 ppm2      4.431 CV     1
 OR { 1507}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1519}
   (  segid "    " and resid 77   and name HG2%)
   (  segid "    " and resid 104  and name HB% )
      2.900     1.100     1.100 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.55879E-02 ppm1      1.607 ppm2      1.495 CV     1
 OR { 1519}
   (  segid "    " and resid 77   and name HG2%)
   (  segid "    " and resid 103  and name HB% )
 ASSI { 1527}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.35059E-02 ppm1      3.968 ppm2      8.463 CV     1
 OR { 1527}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1529}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HB  ))
      3.700     1.700     1.700 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.11633E-02 ppm1      3.969 ppm2      2.685 CV     1
 OR { 1529}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 1536}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.29403E-02 ppm1      2.079 ppm2      3.953 CV     1
 OR { 1536}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
 OR { 1536}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 46   and name HB3 ))
 ASSI { 1542}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 47   and name HB3 ))
      2.400     2.400     3.600 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.11854E-01 ppm1      2.078 ppm2      2.188 CV     1
 OR { 1542}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 47   and name HB3 ))
 OR { 1542}
   (( segid "    " and resid 115  and name HB3 ))
   (( segid "    " and resid 110  and name HA  ))
 OR { 1542}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 1542}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 1542}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 110  and name HA  ))
 OR { 1542}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 100  and name HG2 ))
 ASSI { 1547}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      3.100     1.200     1.200 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.16359E-02 ppm1      2.079 ppm2      8.447 CV     1
 OR { 1547}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 79   and name HN  ))
 OR { 1547}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 114  and name HN  ))
 ASSI { 1561}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 100  and name HG3 ))
      3.500     3.500     2.500 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.20508E-02 ppm1      1.534 ppm2      2.188 CV     1
 OR { 1561}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 100  and name HG2 ))
 OR { 1561}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 96   and name HB2 ))
 OR { 1561}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 100  and name HG2 ))
 OR { 1561}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 100  and name HG3 ))
 OR { 1561}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI { 1563}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 74   and name HB3 ))
      3.200     1.300     1.300 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.17790E-02 ppm1      1.534 ppm2      1.991 CV     1
 OR { 1563}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 74   and name HB2 ))
 OR { 1563}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 100  and name HE% )
 OR { 1563}
   (( segid "    " and resid 78   and name HG3 ))
   (  segid "    " and resid 100  and name HE% )
 OR { 1563}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 74   and name HB3 ))
 ASSI { 1568}
   (( segid "    " and resid 78   and name HD2 ))
   (  segid "    " and resid 75   and name HG2%)
      3.100     3.100     2.900 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.81712E-03 ppm1      3.160 ppm2      1.154 CV     1
 OR { 1568}
   (( segid "    " and resid 78   and name HD3 ))
   (  segid "    " and resid 117  and name HB% )
 OR { 1568}
   (( segid "    " and resid 78   and name HD2 ))
   (  segid "    " and resid 117  and name HB% )
 OR { 1568}
   (( segid "    " and resid 78   and name HD2 ))
   (  segid "    " and resid 84   and name HB% )
 ASSI { 1578}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 100  and name HN  ))
      4.300     2.300     1.700 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.66833E-03 ppm1      3.159 ppm2      8.445 CV     1
 OR { 1578}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 79   and name HN  ))
 OR { 1578}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1592}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.900     0.900 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.28040E-02 ppm1      2.510 ppm2      8.455 CV     1
 OR { 1592}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 80   and name HN  ))
 OR { 1592}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1593}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      2.700     0.900     0.900 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.32306E-02 ppm1      4.535 ppm2      8.484 CV     1
 OR { 1593}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
 ASSI { 1597}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 56   and name HZ  ))
      3.700     1.700     1.700 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.10047E-02 ppm1      4.535 ppm2      6.939 CV     1
 OR { 1597}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 72   and name HZ2 ))
 ASSI { 1602}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
      3.800     1.800     1.800 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.15345E-02 ppm1      4.550 ppm2      4.099 CV     1
 OR { 1602}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 1605}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 65   and name HD1%)
      3.200     3.200     2.800 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.70251E-03 ppm1      4.535 ppm2      0.643 CV     1
 OR { 1605}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 124  and name HG2%)
 ASSI { 1625}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 80   and name HB3 ))
      3.900     1.900     1.900 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.11283E-02 ppm1      2.676 ppm2      2.787 CV     1
 OR { 1625}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
 OR { 1625}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 98   and name HB3 ))
 OR { 1625}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 128  and name HB3 ))
 OR { 1625}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 98   and name HB2 ))
 ASSI { 1630}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 125  and name HD2%)
      1.700     0.400     0.500 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.15125E-01 ppm1      2.676 ppm2      0.364 CV     1
 OR { 1630}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 81   and name HG2%)
 ASSI { 1631}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
      3.700     1.700     1.700 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.66422E-03 ppm1      2.686 ppm2      4.085 CV     1
 OR { 1631}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1632}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.900     1.000     1.000 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.21009E-02 ppm1      2.676 ppm2      8.851 CV     1
 OR { 1632}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
 ASSI { 1634}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.300     1.400     1.400 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.22476E-02 ppm1      2.675 ppm2      8.465 CV     1
 OR { 1634}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1647}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 85   and name HB  ))
      4.100     2.100     1.900 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.81718E-03 ppm1      0.365 ppm2      2.313 CV     1
 OR { 1647}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 82   and name HG2 ))
 OR { 1647}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 82   and name HG3 ))
 ASSI { 1649}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 93   and name HB  ))
      3.500     1.500     1.500 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.16404E-02 ppm1      0.366 ppm2      1.716 CV     1
 OR { 1649}
   (  segid "    " and resid 81   and name HG1%)
   (  segid "    " and resid 77   and name HG1%)
 ASSI { 1650}
   (  segid "    " and resid 81   and name HG1%)
   (  segid "    " and resid 117  and name HB% )
      3.800     1.800     1.800 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.21244E-02 ppm1      0.363 ppm2      1.177 CV     1
 OR { 1650}
   (  segid "    " and resid 81   and name HG1%)
   (  segid "    " and resid 84   and name HB% )
 ASSI { 1659}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 80   and name HE3 ))
      4.700     2.700     1.300 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.79284E-03 ppm1      0.365 ppm2      8.078 CV     1
 OR { 1659}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 93   and name HN  ))
 ASSI { 1665}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 95   and name HN  ))
      4.200     2.200     1.800 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.92204E-03 ppm1      0.364 ppm2      8.472 CV     1
 OR { 1665}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 84   and name HN  ))
 OR { 1665}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 80   and name HN  ))
 OR { 1665}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1670}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 102  and name HA1 ))
      4.100     2.100     1.900 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.25101E-02 ppm1      0.368 ppm2      3.684 CV     1
 OR { 1670}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 93   and name HA  ))
 ASSI { 1671}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 122  and name HA1 ))
      4.100     2.100     1.900 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.13825E-02 ppm1      0.368 ppm2      3.761 CV     1
 OR { 1671}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 126  and name HA  ))
 ASSI { 1672}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 95   and name HD% )
      3.800     1.800     1.800 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.21793E-02 ppm1      0.370 ppm2      7.290 CV     1
 OR { 1672}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 113  and name HD% )
 OR { 1672}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 98   and name HN  ))
 ASSI { 1673}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 98   and name HD% )
      2.100     0.600     0.600 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.50448E-02 ppm1      0.369 ppm2      7.119 CV     1
 OR { 1673}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 80   and name HZ3 ))
 ASSI { 1677}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 80   and name HN  ))
      3.700     1.700     1.700 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.12950E-02 ppm1      0.369 ppm2      8.476 CV     1
 OR { 1677}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
 OR { 1677}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 100  and name HN  ))
 ASSI { 1679}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 113  and name HE% )
      3.900     1.900     1.900 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.62080E-03 ppm1      0.369 ppm2      7.801 CV     1
 OR { 1679}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1683}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 117  and name HB% )
      4.600     2.600     1.400 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.11372E-02 ppm1      0.368 ppm2      1.187 CV     1
 OR { 1683}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 84   and name HB% )
 ASSI { 1684}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 85   and name HG2%)
      4.100     2.100     1.900 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.14065E-02 ppm1      0.372 ppm2      1.042 CV     1
 OR { 1684}
   (  segid "    " and resid 81   and name HG2%)
   (  segid "    " and resid 108  and name HD1%)
 ASSI { 1691}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      4.000     2.000     2.000 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.75742E-03 ppm1      4.079 ppm2      7.903 CV     1
 OR { 1691}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 128  and name HN  ))
 ASSI { 1692}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      3.500     1.600     1.600 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.12005E-02 ppm1      4.083 ppm2      7.852 CV     1
 OR { 1692}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1694}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HZ  ))
      2.800     1.000     1.000 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.35609E-02 ppm1      4.077 ppm2      7.281 CV     1
 OR { 1694}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 95   and name HE% )
 ASSI { 1697}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 78   and name HA  ))
      3.900     1.900     1.900 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.16469E-02 ppm1      4.077 ppm2      3.965 CV     1
 OR { 1697}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 61   and name HA  ))
 OR { 1697}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR { 1697}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 46   and name HB3 ))
 ASSI { 1699}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 45   and name HG3 ))
      4.000     2.000     2.000 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.16012E-02 ppm1      4.074 ppm2      2.576 CV     1
 OR { 1699}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
 OR { 1699}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 88   and name HB3 ))
 ASSI { 1701}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 85   and name HB  ))
      1.900     0.400     0.400 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.85412E-02 ppm1      4.075 ppm2      2.325 CV     1
 OR { 1701}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI { 1703}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
      2.000     0.500     0.500 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.13342E-01 ppm1      4.072 ppm2      1.950 CV     1
 OR { 1703}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
 OR { 1703}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
 ASSI { 1704}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG2 ))
      3.000     1.100     1.100 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.22015E-02 ppm1      4.072 ppm2      1.752 CV     1
 OR { 1704}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG3 ))
 OR { 1704}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG2 ))
 ASSI { 1705}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
      2.800     1.000     1.000 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.44439E-02 ppm1      4.075 ppm2      1.534 CV     1
 OR { 1705}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HD3 ))
 OR { 1705}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HD2 ))
 ASSI { 1710}
   (( segid "    " and resid 137  and name HB  ))
   (( segid "    " and resid 137  and name HN  ))
      3.000     1.200     1.200 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.19371E-02 ppm1      2.114 ppm2      7.966 CV     1
 OR { 1710}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1712}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 82   and name HA  ))
      2.400     0.700     0.700 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.34967E-02 ppm1      2.107 ppm2      4.071 CV     1
 OR { 1712}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
 OR { 1712}
   (( segid "    " and resid 137  and name HB  ))
   (( segid "    " and resid 137  and name HA  ))
 ASSI { 1713}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
      3.200     1.300     1.300 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.24311E-02 ppm1      2.168 ppm2      4.439 CV     1
 OR { 1713}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
 OR { 1713}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 41   and name HA  ))
 OR { 1713}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
 OR { 1713}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 1714}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.500     1.500 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.17589E-02 ppm1      2.109 ppm2      4.446 CV     1
 OR { 1714}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
 OR { 1714}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
 OR { 1714}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 79   and name HA  ))
 OR { 1714}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
 OR { 1714}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 41   and name HA  ))
 OR { 1714}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
 OR { 1714}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 1716}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 95   and name HE% )
      2.700     0.900     0.900 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.18874E-02 ppm1      2.129 ppm2      7.303 CV     1
 OR { 1716}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 88   and name HZ  ))
 OR { 1716}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 120  and name HZ  ))
 OR { 1716}
   (( segid "    " and resid 82   and name HB3 ))
   (  segid "    " and resid 95   and name HE% )
 OR { 1716}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 88   and name HZ  ))
 OR { 1716}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 95   and name HZ  ))
 OR { 1716}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 120  and name HZ  ))
 OR { 1716}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 88   and name HE% )
 OR { 1716}
   (( segid "    " and resid 82   and name HB3 ))
   (  segid "    " and resid 95   and name HD% )
 ASSI { 1721}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 127  and name HB2 ))
      2.400     2.400     3.600 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.23849E-01 ppm1      2.579 ppm2      2.279 CV     1
 OR { 1721}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 127  and name HB3 ))
 OR { 1721}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 127  and name HB2 ))
 OR { 1721}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 43   and name HG3 ))
 OR { 1721}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 127  and name HB3 ))
 OR { 1721}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 1726}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 93   and name HB  ))
      3.900     1.900     1.900 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.95987E-03 ppm1      2.281 ppm2      1.705 CV     1
 OR { 1726}
   (( segid "    " and resid 82   and name HG3 ))
   (( segid "    " and resid 93   and name HB  ))
 OR { 1726}
   (( segid "    " and resid 82   and name HG2 ))
   (  segid "    " and resid 77   and name HG1%)
 ASSI { 1728}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 42   and name HB3 ))
      3.100     1.200     1.200 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.21019E-02 ppm1      2.579 ppm2      1.844 CV     1
 OR { 1728}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 42   and name HB3 ))
 OR { 1728}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 124  and name HB  ))
 OR { 1728}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 124  and name HB  ))
 ASSI { 1733}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 120  and name HZ  ))
      3.800     1.800     1.800 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.14300E-02 ppm1      2.584 ppm2      7.269 CV     1
 OR { 1733}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 120  and name HZ  ))
 OR { 1733}
   (( segid "    " and resid 44   and name HG3 ))
   (( segid "    " and resid 120  and name HZ  ))
 OR { 1733}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 88   and name HZ  ))
 OR { 1733}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 88   and name HZ  ))
 OR { 1733}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 88   and name HE% )
 OR { 1733}
   (( segid "    " and resid 45   and name HG3 ))
   (  segid "    " and resid 88   and name HE% )
 OR { 1733}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 120  and name HZ  ))
 ASSI { 1741}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 86   and name HA  ))
      3.500     1.600     1.600 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.19349E-02 ppm1      1.840 ppm2      4.454 CV     1
 OR { 1741}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 1775}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 86   and name HD21))
      3.400     1.400     1.400 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.70915E-03 ppm1      4.151 ppm2      7.672 CV     1
 OR { 1775}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 116  and name HN  ))
 ASSI { 1781}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.900     1.900     1.900 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.63847E-03 ppm1      4.149 ppm2      8.847 CV     1
 OR { 1781}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 1782}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      2.900     1.000     1.000 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.32016E-02 ppm1      4.150 ppm2      8.446 CV     1
 OR { 1782}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
 OR { 1782}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI { 1783}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 108  and name HD2%)
      4.500     2.500     1.500 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.69037E-03 ppm1      4.149 ppm2      0.871 CV     1
 OR { 1783}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 114  and name HD2%)
 ASSI { 1785}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
      3.700     1.700     1.700 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.68915E-03 ppm1      3.019 ppm2      1.037 CV     1
 OR { 1785}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 87   and name HG2 ))
 OR { 1785}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 87   and name HG3 ))
 ASSI { 1786}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
      4.000     2.000     2.000 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.16537E-02 ppm1      3.019 ppm2      0.540 CV     1
 OR { 1786}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 124  and name HD1%)
 ASSI { 1791}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 88   and name HD% )
      2.700     0.900     0.900 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.33430E-02 ppm1      3.020 ppm2      7.166 CV     1
 OR { 1791}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 83   and name HH2 ))
 ASSI { 1800}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 48   and name HB% )
      3.300     3.300     2.700 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.49228E-02 ppm1      1.185 ppm2      1.469 CV     1
 OR { 1800}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 50   and name HD2 ))
 ASSI { 1801}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 132  and name HG  ))
      3.300     3.300     2.700 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.34837E-02 ppm1      1.185 ppm2      1.292 CV     1
 OR { 1801}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 105  and name HD2%)
 ASSI { 1803}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 85   and name HG2%)
      3.000     1.100     1.100 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.33707E-02 ppm1      1.179 ppm2      1.012 CV     1
 OR { 1803}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 52   and name HG2%)
 ASSI { 1807}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 124  and name HG2%)
      2.700     0.900     0.900 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.30368E-02 ppm1      1.184 ppm2      0.578 CV     1
 OR { 1807}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 1811}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 88   and name HN  ))
      3.900     1.900     1.900 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.10360E-02 ppm1      1.183 ppm2      7.776 CV     1
 OR { 1811}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 113  and name HE% )
 ASSI { 1813}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 88   and name HD% )
      2.500     0.800     0.800 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.60825E-02 ppm1      1.184 ppm2      7.164 CV     1
 OR { 1813}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 53   and name HE% )
 ASSI { 1820}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HA  ))
      4.200     2.200     1.800 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.80609E-03 ppm1      3.372 ppm2      4.412 CV     1
 OR { 1820}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 90   and name HA  ))
 ASSI { 1821}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
      4.500     2.500     1.500 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.62812E-03 ppm1      3.369 ppm2      4.104 CV     1
 OR { 1821}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 89   and name HA  ))
 ASSI { 1826}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 90   and name HG  ))
      1.900     0.500     0.500 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.83198E-02 ppm1      3.371 ppm2      1.808 CV     1
 OR { 1826}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 1832}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 124  and name HG2%)
      4.000     2.000     2.000 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.96096E-03 ppm1      3.370 ppm2      0.592 CV     1
 OR { 1832}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
 OR { 1832}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 93   and name HG2%)
 ASSI { 1835}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 125  and name HG  ))
      4.200     2.200     1.800 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.99798E-03 ppm1      2.328 ppm2      1.808 CV     1
 OR { 1835}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 90   and name HG  ))
 OR { 1835}
   (( segid "    " and resid 85   and name HB  ))
   (  segid "    " and resid 82   and name HE% )
 ASSI { 1837}
   (( segid "    " and resid 85   and name HB  ))
   (  segid "    " and resid 81   and name HG1%)
      4.000     2.000     2.000 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.65389E-03 ppm1      2.326 ppm2      0.354 CV     1
 OR { 1837}
   (( segid "    " and resid 85   and name HB  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 1841}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 84   and name HN  ))
      4.000     2.000     2.000 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.70587E-03 ppm1      2.325 ppm2      8.457 CV     1
 OR { 1841}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI { 1844}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 86   and name HA  ))
      3.100     1.200     1.200 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.21770E-02 ppm1      1.075 ppm2      4.426 CV     1
 OR { 1844}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 90   and name HA  ))
 ASSI { 1852}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 90   and name HG  ))
      3.000     1.100     1.100 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.43117E-02 ppm1      1.075 ppm2      1.813 CV     1
 OR { 1852}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 91   and name HB2 ))
 OR { 1852}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 91   and name HB3 ))
 ASSI { 1855}
   (  segid "    " and resid 85   and name HG1%)
   (  segid "    " and resid 93   and name HG2%)
      3.100     1.200     1.200 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.23176E-02 ppm1      1.074 ppm2      0.588 CV     1
 OR { 1855}
   (  segid "    " and resid 85   and name HG1%)
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 1859}
   (  segid "    " and resid 85   and name HG1%)
   (  segid "    " and resid 84   and name HB% )
      3.400     1.400     1.400 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.41550E-02 ppm1      1.075 ppm2      1.194 CV     1
 OR { 1859}
   (  segid "    " and resid 85   and name HG1%)
   (  segid "    " and resid 117  and name HB% )
 ASSI { 1861}
   (  segid "    " and resid 85   and name HG1%)
   (  segid "    " and resid 81   and name HG1%)
      3.700     1.800     1.800 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.16033E-02 ppm1      1.073 ppm2      0.364 CV     1
 OR { 1861}
   (  segid "    " and resid 85   and name HG1%)
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 1864}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 84   and name HB% )
      3.100     1.200     1.200 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.32273E-02 ppm1      1.025 ppm2      1.199 CV     1
 OR { 1864}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 117  and name HB% )
 ASSI { 1867}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 93   and name HG2%)
      1.900     0.400     0.400 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.89233E-02 ppm1      1.026 ppm2      0.585 CV     1
 OR { 1867}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 1869}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 81   and name HG1%)
      2.500     0.800     0.800 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.10517E-01 ppm1      1.026 ppm2      0.364 CV     1
 OR { 1869}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 1871}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 125  and name HG  ))
      2.400     0.700     0.700 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.75075E-02 ppm1      1.026 ppm2      1.802 CV     1
 OR { 1871}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 90   and name HG  ))
 OR { 1871}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 1875}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 81   and name HA  ))
      4.200     2.200     1.800 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.98982E-03 ppm1      1.027 ppm2      2.679 CV     1
 OR { 1875}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 86   and name HB3 ))
 ASSI { 1876}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 90   and name HA  ))
      4.500     2.500     1.500 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.92450E-03 ppm1      1.025 ppm2      4.417 CV     1
 OR { 1876}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 1878}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 92   and name HN  ))
      3.700     1.700     1.700 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.10060E-02 ppm1      1.027 ppm2      8.461 CV     1
 OR { 1878}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 84   and name HN  ))
 ASSI { 1881}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 86   and name HN  ))
      3.600     1.600     1.600 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.21535E-02 ppm1      1.026 ppm2      7.539 CV     1
 OR { 1881}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 113  and name HZ  ))
 ASSI { 1882}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 95   and name HE% )
      3.000     3.000     3.000 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.58291E-02 ppm1      1.026 ppm2      7.287 CV     1
 OR { 1882}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 95   and name HD% )
 OR { 1882}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 88   and name HE% )
 OR { 1882}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 95   and name HZ  ))
 ASSI { 1913}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 48   and name HB% )
      3.400     3.400     2.600 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.17897E-02 ppm1      3.551 ppm2      1.440 CV     1
 OR { 1913}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 91   and name HD3 ))
 ASSI { 1921}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 124  and name HD1%)
      2.700     2.700     3.300 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.93635E-02 ppm1      0.206 ppm2      0.532 CV     1
 OR { 1921}
   (( segid "    " and resid 87   and name HB3 ))
   (  segid "    " and resid 124  and name HD1%)
 OR { 1921}
   (( segid "    " and resid 87   and name HB3 ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 1953}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 44   and name HB3 ))
      3.200     3.200     2.800 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.29013E-02 ppm1      4.656 ppm2      2.107 CV     1
 OR { 1953}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 OR { 1953}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1988}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 85   and name HG1%)
      4.100     2.100     1.900 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.14079E-02 ppm1      4.405 ppm2      1.088 CV     1
 OR { 1988}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 121  and name HG2%)
 ASSI { 1990}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 90   and name HD2%)
      2.200     0.600     0.600 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.93163E-02 ppm1      4.405 ppm2      0.886 CV     1
 OR { 1990}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HD1%)
 ASSI { 1991}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HG13))
      3.900     1.900     1.900 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.14674E-02 ppm1      4.402 ppm2      0.726 CV     1
 OR { 1991}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 90   and name HD1%)
 ASSI { 1997}
   (( segid "    " and resid 90   and name HB3 ))
   (( segid "    " and resid 90   and name HG  ))
      2.100     0.500     0.500 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.87436E-02 ppm1      1.339 ppm2      1.809 CV     1
 OR { 1997}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HG  ))
 OR { 1997}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 91   and name HB3 ))
 OR { 1997}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 91   and name HB2 ))
 OR { 1997}
   (( segid "    " and resid 90   and name HB3 ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 2001}
   (( segid "    " and resid 90   and name HB2 ))
   (  segid "    " and resid 117  and name HB% )
      4.000     2.000     2.000 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.13456E-02 ppm1      1.338 ppm2      1.193 CV     1
 OR { 2001}
   (( segid "    " and resid 90   and name HB3 ))
   (  segid "    " and resid 117  and name HB% )
 OR { 2001}
   (( segid "    " and resid 90   and name HB2 ))
   (  segid "    " and resid 84   and name HB% )
 ASSI { 2003}
   (( segid "    " and resid 90   and name HB3 ))
   (  segid "    " and resid 93   and name HG2%)
      3.400     1.400     1.400 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.21036E-02 ppm1      1.341 ppm2      0.576 CV     1
 OR { 2003}
   (( segid "    " and resid 90   and name HB2 ))
   (  segid "    " and resid 93   and name HG2%)
 OR { 2003}
   (( segid "    " and resid 90   and name HB3 ))
   (  segid "    " and resid 125  and name HD1%)
 OR { 2003}
   (( segid "    " and resid 90   and name HB2 ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 2017}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 85   and name HG2%)
      3.500     1.500     1.500 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.83312E-03 ppm1      1.804 ppm2      1.063 CV     1
 OR { 2017}
   (( segid "    " and resid 90   and name HG  ))
   (  segid "    " and resid 85   and name HG1%)
 OR { 2017}
   (( segid "    " and resid 90   and name HG  ))
   (  segid "    " and resid 85   and name HG2%)
 ASSI { 2020}
   (  segid "    " and resid 90   and name HD1%)
   (  segid "    " and resid 125  and name HD2%)
      3.400     1.500     1.500 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.45561E-02 ppm1      0.721 ppm2      0.326 CV     1
 OR { 2020}
   (  segid "    " and resid 90   and name HD1%)
   (  segid "    " and resid 81   and name HG1%)
 ASSI { 2022}
   (  segid "    " and resid 90   and name HD1%)
   (  segid "    " and resid 84   and name HB% )
      3.000     1.100     1.100 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.50220E-02 ppm1      0.721 ppm2      1.185 CV     1
 OR { 2022}
   (  segid "    " and resid 90   and name HD1%)
   (  segid "    " and resid 117  and name HB% )
 ASSI { 2025}
   (  segid "    " and resid 90   and name HD1%)
   (  segid "    " and resid 124  and name HG2%)
      2.200     0.600     0.600 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.11694E-01 ppm1      0.720 ppm2      0.622 CV     1
 OR { 2025}
   (  segid "    " and resid 90   and name HD1%)
   (  segid "    " and resid 93   and name HG2%)
 ASSI { 2026}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 90   and name HG  ))
      1.900     0.500     0.500 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.11460E-01 ppm1      0.721 ppm2      1.808 CV     1
 OR { 2026}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 118  and name HB2 ))
 OR { 2026}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 118  and name HB3 ))
 ASSI { 2034}
   (  segid "    " and resid 90   and name HD2%)
   (( segid "    " and resid 91   and name HN  ))
      2.300     2.300     3.700 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.25522E-02 ppm1      0.893 ppm2      8.557 CV     1
 OR { 2034}
   (  segid "    " and resid 90   and name HD2%)
   (( segid "    " and resid 119  and name HN  ))
 ASSI { 2037}
   (  segid "    " and resid 132  and name HD2%)
   (  segid "    " and resid 56   and name HE% )
      2.900     1.100     1.100 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.31227E-02 ppm1      0.889 ppm2      7.079 CV     1
 OR { 2037}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 80   and name HZ3 ))
 ASSI { 2038}
   (  segid "    " and resid 132  and name HD2%)
   (( segid "    " and resid 72   and name HZ2 ))
      2.500     0.800     0.800 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.33140E-02 ppm1      0.889 ppm2      6.950 CV     1
 OR { 2038}
   (  segid "    " and resid 132  and name HD2%)
   (( segid "    " and resid 60   and name HE21))
 ASSI { 2044}
   (  segid "    " and resid 132  and name HD2%)
   (( segid "    " and resid 60   and name HE22))
      2.700     0.900     0.900 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.26992E-02 ppm1      0.888 ppm2      6.382 CV     1
 OR { 2044}
   (  segid "    " and resid 132  and name HD2%)
   (( segid "    " and resid 128  and name HD2 ))
 ASSI { 2047}
   (  segid "    " and resid 132  and name HD2%)
   (( segid "    " and resid 132  and name HA  ))
      2.200     0.600     0.600 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.16526E-01 ppm1      0.889 ppm2      3.937 CV     1
 OR { 2047}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 109  and name HA1 ))
 ASSI { 2050}
   (  segid "    " and resid 132  and name HD2%)
   (( segid "    " and resid 83   and name HB3 ))
      2.600     2.600     3.400 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.16673E-02 ppm1      0.890 ppm2      3.488 CV     1
 OR { 2050}
   (  segid "    " and resid 132  and name HD2%)
   (( segid "    " and resid 56   and name HA  ))
 OR { 2050}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 70   and name HD2 ))
 OR { 2050}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 130  and name HA  ))
 OR { 2050}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 70   and name HD3 ))
 ASSI { 2054}
   (  segid "    " and resid 132  and name HD2%)
   (( segid "    " and resid 132  and name HG  ))
      1.800     0.400     0.400 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.17225E-01 ppm1      0.890 ppm2      1.323 CV     1
 OR { 2054}
   (  segid "    " and resid 90   and name HD2%)
   (( segid "    " and resid 90   and name HB2 ))
 OR { 2054}
   (  segid "    " and resid 90   and name HD2%)
   (( segid "    " and resid 90   and name HB3 ))
 ASSI { 2057}
   (  segid "    " and resid 90   and name HD2%)
   (  segid "    " and resid 124  and name HD1%)
      2.500     0.800     0.800 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.89808E-02 ppm1      0.892 ppm2      0.577 CV     1
 OR { 2057}
   (  segid "    " and resid 90   and name HD2%)
   (  segid "    " and resid 124  and name HG2%)
 OR { 2057}
   (  segid "    " and resid 90   and name HD2%)
   (  segid "    " and resid 93   and name HG2%)
 ASSI { 2083}
   (( segid "    " and resid 134  and name HG3 ))
   (( segid "    " and resid 135  and name HN  ))
      3.500     1.500     1.500 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.11993E-02 ppm1      1.661 ppm2      7.976 CV     1
 OR { 2083}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 90   and name HN  ))
 OR { 2083}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 90   and name HN  ))
 OR { 2083}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 135  and name HN  ))
 ASSI { 2085}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 120  and name HB3 ))
      3.200     3.200     2.800 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.13182E-02 ppm1      1.657 ppm2      3.440 CV     1
 OR { 2085}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 120  and name HB2 ))
 OR { 2085}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR { 2085}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 120  and name HB3 ))
 OR { 2085}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR { 2085}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 72   and name HB2 ))
 OR { 2085}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 72   and name HB2 ))
 OR { 2085}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR { 2085}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 70   and name HD2 ))
 ASSI { 2087}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HB2 ))
      2.200     0.600     0.600 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.92743E-02 ppm1      1.657 ppm2      1.806 CV     1
 OR { 2087}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR { 2087}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 91   and name HB3 ))
 OR { 2087}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HB3 ))
 OR { 2087}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 2087}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HB2 ))
 OR { 2087}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 97   and name HB2 ))
 OR { 2087}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HB2 ))
 OR { 2087}
   (( segid "    " and resid 134  and name HG3 ))
   (( segid "    " and resid 134  and name HB2 ))
 OR { 2087}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 91   and name HB2 ))
 OR { 2087}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HB3 ))
 OR { 2087}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 2087}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR { 2087}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HB3 ))
 OR { 2087}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI { 2106}
   (( segid "    " and resid 67   and name HE3 ))
   (( segid "    " and resid 67   and name HD3 ))
      2.400     0.700     0.700 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.63042E-02 ppm1      2.984 ppm2      1.448 CV     1
 OR { 2106}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HD3 ))
 OR { 2106}
   (( segid "    " and resid 91   and name HE2 ))
   (( segid "    " and resid 91   and name HD3 ))
 OR { 2106}
   (( segid "    " and resid 91   and name HE3 ))
   (( segid "    " and resid 91   and name HD2 ))
 OR { 2106}
   (( segid "    " and resid 67   and name HE2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 2106}
   (( segid "    " and resid 42   and name HE2 ))
   (( segid "    " and resid 42   and name HD2 ))
 OR { 2106}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HD2 ))
 OR { 2106}
   (( segid "    " and resid 42   and name HE2 ))
   (( segid "    " and resid 42   and name HD3 ))
 OR { 2106}
   (( segid "    " and resid 67   and name HE2 ))
   (( segid "    " and resid 67   and name HD3 ))
 OR { 2106}
   (( segid "    " and resid 91   and name HE3 ))
   (( segid "    " and resid 91   and name HD3 ))
 ASSI { 2107}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HG3 ))
      3.100     1.200     1.200 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.30181E-02 ppm1      2.982 ppm2      1.779 CV     1
 OR { 2107}
   (( segid "    " and resid 67   and name HE2 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 2107}
   (( segid "    " and resid 67   and name HE2 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR { 2107}
   (( segid "    " and resid 67   and name HE3 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 2107}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR { 2107}
   (( segid "    " and resid 67   and name HE3 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR { 2107}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR { 2107}
   (( segid "    " and resid 91   and name HE3 ))
   (( segid "    " and resid 91   and name HB3 ))
 OR { 2107}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR { 2107}
   (( segid "    " and resid 91   and name HE3 ))
   (( segid "    " and resid 91   and name HB2 ))
 OR { 2107}
   (( segid "    " and resid 91   and name HE2 ))
   (( segid "    " and resid 91   and name HB2 ))
 ASSI { 2108}
   (( segid "    " and resid 97   and name HE3 ))
   (( segid "    " and resid 115  and name HB2 ))
      3.900     1.900     1.900 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.74652E-03 ppm1      2.978 ppm2      2.032 CV     1
 OR { 2108}
   (( segid "    " and resid 97   and name HE3 ))
   (( segid "    " and resid 115  and name HB3 ))
 OR { 2108}
   (( segid "    " and resid 97   and name HE2 ))
   (  segid "    " and resid 100  and name HE% )
 OR { 2108}
   (( segid "    " and resid 97   and name HE3 ))
   (  segid "    " and resid 100  and name HE% )
 ASSI { 2128}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 118  and name HG2 ))
      3.800     1.800     1.800 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.82569E-03 ppm1      3.644 ppm2      2.019 CV     1
 OR { 2128}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 118  and name HG3 ))
 OR { 2128}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 121  and name HB  ))
 ASSI { 2141}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 78   and name HD2 ))
      4.200     2.300     1.800 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.65782E-03 ppm1      0.273 ppm2      3.180 CV     1
 OR { 2141}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 118  and name HD2 ))
 OR { 2141}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 78   and name HD3 ))
 ASSI { 2158}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 95   and name HN  ))
      3.400     1.400     1.400 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.99031E-03 ppm1      0.273 ppm2      8.494 CV     1
 OR { 2158}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 92   and name HN  ))
 ASSI { 2169}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 125  and name HG  ))
      3.400     1.400     1.400 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.37707E-02 ppm1      0.586 ppm2      1.820 CV     1
 OR { 2169}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 90   and name HG  ))
 OR { 2169}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 118  and name HB2 ))
 OR { 2169}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 118  and name HB3 ))
 ASSI { 2170}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 121  and name HB  ))
      3.300     1.300     1.300 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.21043E-02 ppm1      0.585 ppm2      2.024 CV     1
 OR { 2170}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 118  and name HG2 ))
 OR { 2170}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 118  and name HG3 ))
 ASSI { 2175}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 98   and name HA  ))
      3.800     1.800     1.800 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.63077E-03 ppm1      0.586 ppm2      4.407 CV     1
 OR { 2175}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 123  and name HA  ))
 ASSI { 2181}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 96   and name HN  ))
      3.300     3.300     2.700 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.72566E-03 ppm1      0.585 ppm2      8.558 CV     1
 OR { 2181}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 119  and name HN  ))
 ASSI { 2184}
   (( segid "    " and resid 94   and name HA  ))
   (  segid "    " and resid 95   and name HD% )
      4.400     2.400     1.600 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.63308E-03 ppm1      4.800 ppm2      7.307 CV     1
 OR { 2184}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
 ASSI { 2204}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 95   and name HD% )
      2.400     0.700     0.700 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.42363E-02 ppm1      4.168 ppm2      7.293 CV     1
 OR { 2204}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
 ASSI { 2217}
   (( segid "    " and resid 95   and name HB3 ))
   (( segid "    " and resid 95   and name HA  ))
      2.600     0.900     0.900 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.28666E-02 ppm1      3.055 ppm2      4.169 CV     1
 OR { 2217}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HA  ))
 OR { 2217}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 57   and name HB  ))
 ASSI { 2224}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      3.200     1.300     1.300 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.15828E-02 ppm1      4.248 ppm2      7.247 CV     1
 OR { 2224}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
 ASSI { 2239}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
      3.300     1.300     1.300 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.10613E-02 ppm1      2.192 ppm2      7.538 CV     1
 OR { 2239}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HE21))
 OR { 2239}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 97   and name HN  ))
 ASSI { 2253}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 113  and name HD% )
      2.800     1.000     1.000 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.30769E-02 ppm1      3.988 ppm2      7.263 CV     1
 OR { 2253}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
 ASSI { 2255}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 117  and name HN  ))
      3.000     1.100     1.100 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.10832E-02 ppm1      3.986 ppm2      7.197 CV     1
 OR { 2255}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
 ASSI { 2257}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 96   and name HB3 ))
      2.900     1.000     1.000 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.32289E-02 ppm1      3.988 ppm2      2.223 CV     1
 OR { 2257}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
 OR { 2257}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 115  and name HG3 ))
 ASSI { 2260}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 121  and name HB  ))
      4.200     2.200     1.800 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.13480E-02 ppm1      3.990 ppm2      1.997 CV     1
 OR { 2260}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 100  and name HE% )
 ASSI { 2265}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 116  and name HD2%)
      3.700     1.700     1.700 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.11069E-02 ppm1      3.990 ppm2      0.507 CV     1
 OR { 2265}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 116  and name HD2%)
 ASSI { 2274}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HE2 ))
      3.900     1.900     1.900 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.10323E-02 ppm1      1.805 ppm2      2.977 CV     1
 OR { 2274}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HE2 ))
 OR { 2274}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HE3 ))
 OR { 2274}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HE3 ))
 OR { 2274}
   (( segid "    " and resid 97   and name HB3 ))
   (( segid "    " and resid 97   and name HE3 ))
 OR { 2274}
   (( segid "    " and resid 97   and name HB3 ))
   (( segid "    " and resid 97   and name HE2 ))
 ASSI { 2300}
   (( segid "    " and resid 67   and name HE2 ))
   (( segid "    " and resid 67   and name HB2 ))
      3.400     1.500     1.500 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.17110E-02 ppm1      2.974 ppm2      1.796 CV     1
 OR { 2300}
   (( segid "    " and resid 67   and name HE2 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR { 2300}
   (( segid "    " and resid 67   and name HE3 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 2300}
   (( segid "    " and resid 67   and name HE3 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR { 2300}
   (( segid "    " and resid 91   and name HE3 ))
   (( segid "    " and resid 91   and name HB3 ))
 OR { 2300}
   (( segid "    " and resid 91   and name HE3 ))
   (( segid "    " and resid 91   and name HB2 ))
 OR { 2300}
   (( segid "    " and resid 91   and name HE2 ))
   (( segid "    " and resid 91   and name HB2 ))
 OR { 2300}
   (( segid "    " and resid 91   and name HE2 ))
   (( segid "    " and resid 91   and name HB3 ))
 OR { 2300}
   (( segid "    " and resid 97   and name HE2 ))
   (( segid "    " and resid 97   and name HB3 ))
 ASSI { 2304}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.400     0.700     0.700 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.52231E-02 ppm1      4.408 ppm2      7.245 CV     1
 OR { 2304}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
 ASSI { 2310}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      4.000     2.000     2.000 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.11261E-02 ppm1      4.415 ppm2      8.447 CV     1
 OR { 2310}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 114  and name HN  ))
 ASSI { 2318}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 77   and name HG1%)
      3.800     1.800     1.800 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.14509E-02 ppm1      4.408 ppm2      1.691 CV     1
 OR { 2318}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 97   and name HG3 ))
 ASSI { 2319}
   (( segid "    " and resid 98   and name HB3 ))
   (  segid "    " and resid 77   and name HG1%)
      3.200     1.300     1.300 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.20578E-02 ppm1      2.766 ppm2      1.695 CV     1
 OR { 2319}
   (( segid "    " and resid 98   and name HB2 ))
   (  segid "    " and resid 77   and name HG1%)
 OR { 2319}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 97   and name HG3 ))
 OR { 2319}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 97   and name HG2 ))
 ASSI { 2332}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 95   and name HB3 ))
      1.400     1.400     4.600 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.41157E-01 ppm1      2.869 ppm2      3.068 CV     1
 OR { 2332}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 95   and name HB2 ))
 OR { 2332}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 95   and name HB3 ))
 OR { 2332}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 113  and name HB2 ))
 OR { 2332}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 113  and name HB2 ))
 ASSI { 2345}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 74   and name HA  ))
      2.600     2.600     3.400 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.93973E-02 ppm1      4.784 ppm2      4.409 CV     1
 OR { 2345}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 98   and name HA  ))
 ASSI { 2358}
   (( segid "    " and resid 100  and name HB3 ))
   (( segid "    " and resid 104  and name HA  ))
      4.200     2.200     1.800 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.95058E-03 ppm1      2.075 ppm2      4.084 CV     1
 OR { 2358}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 104  and name HA  ))
 OR { 2358}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 2397}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 108  and name HB3 ))
      3.300     1.300     1.300 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.41279E-02 ppm1      2.017 ppm2      1.510 CV     1
 OR { 2397}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 108  and name HB2 ))
 OR { 2397}
   (  segid "    " and resid 100  and name HE% )
   (  segid "    " and resid 104  and name HB% )
 ASSI { 2400}
   (  segid "    " and resid 100  and name HE% )
   (  segid "    " and resid 117  and name HB% )
      4.800     2.900     1.200 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.64313E-03 ppm1      2.015 ppm2      1.184 CV     1
 OR { 2400}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 129  and name HG  ))
 ASSI { 2409}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      3.500     1.500     1.500 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.12725E-02 ppm1      4.222 ppm2      8.440 CV     1
 OR { 2409}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
 ASSI { 2410}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      3.200     1.300     1.300 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.20754E-02 ppm1      4.225 ppm2      4.774 CV     1
 OR { 2410}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 100  and name HA  ))
 OR { 2410}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 2412}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.27354E-02 ppm1      4.225 ppm2      4.426 CV     1
 OR { 2412}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 2415}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 51   and name HB% )
      3.600     1.600     1.600 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.12477E-02 ppm1      4.220 ppm2      1.480 CV     1
 OR { 2415}
   (( segid "    " and resid 101  and name HA  ))
   (  segid "    " and resid 104  and name HB% )
 OR { 2415}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 48   and name HB% )
 ASSI { 2424}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 104  and name HB% )
      3.500     1.500     1.500 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.14098E-02 ppm1      4.192 ppm2      1.482 CV     1
 OR { 2424}
   (( segid "    " and resid 101  and name HB3 ))
   (  segid "    " and resid 104  and name HB% )
 OR { 2424}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 51   and name HB% )
 ASSI { 2431}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 105  and name HN  ))
      3.500     1.500     1.500 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.10033E-02 ppm1      3.713 ppm2      8.309 CV     1
 OR { 2431}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 77   and name HN  ))
 OR { 2431}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2444}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 70   and name HD2 ))
      3.200     3.200     2.800 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.45838E-02 ppm1      3.880 ppm2      3.446 CV     1
 OR { 2444}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 OR { 2444}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 70   and name HD3 ))
 ASSI { 2455}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 72   and name HB2 ))
      3.800     1.800     1.800 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.27278E-02 ppm1      1.473 ppm2      3.446 CV     1
 OR { 2455}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 70   and name HD2 ))
 OR { 2455}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 72   and name HB3 ))
 ASSI { 2468}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 104  and name HB% )
      1.900     0.400     0.400 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.23068E-01 ppm1      4.072 ppm2      1.495 CV     1
 OR { 2468}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 107  and name HB% )
 ASSI { 2481}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 107  and name HN  ))
      3.900     1.900     1.900 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.96716E-03 ppm1      1.503 ppm2      7.367 CV     1
 OR { 2481}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 108  and name HN  ))
 ASSI { 2497}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HB2 ))
      2.200     0.600     0.600 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.48147E-02 ppm1      4.317 ppm2      1.781 CV     1
 OR { 2497}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HG  ))
 OR { 2497}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HB3 ))
 ASSI { 2498}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 108  and name HG  ))
      2.200     0.600     0.600 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.46239E-02 ppm1      4.319 ppm2      2.328 CV     1
 OR { 2498}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 127  and name HB2 ))
 ASSI { 2500}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 100  and name HB3 ))
      2.300     0.700     0.700 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.39883E-02 ppm1      4.318 ppm2      2.112 CV     1
 OR { 2500}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HB3 ))
 OR { 2500}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 2502}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 104  and name HB% )
      3.600     1.600     1.600 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.16241E-02 ppm1      4.315 ppm2      1.501 CV     1
 OR { 2502}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 108  and name HB3 ))
 ASSI { 2505}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 108  and name HD1%)
      2.800     1.000     1.000 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.49667E-02 ppm1      4.315 ppm2      1.063 CV     1
 OR { 2505}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 85   and name HG2%)
 ASSI { 2506}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 108  and name HD2%)
      3.200     1.200     1.200 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.10752E-02 ppm1      4.316 ppm2      0.872 CV     1
 OR { 2506}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 49   and name HD1%)
 OR { 2506}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 49   and name HD2%)
 ASSI { 2531}
   (( segid "    " and resid 105  and name HG  ))
   (  segid "    " and resid 113  and name HD% )
      4.200     2.200     1.800 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.68869E-03 ppm1      1.902 ppm2      7.287 CV     1
 OR { 2531}
   (( segid "    " and resid 105  and name HG  ))
   (( segid "    " and resid 72   and name HE3 ))
 OR { 2531}
   (( segid "    " and resid 114  and name HG  ))
   (  segid "    " and resid 113  and name HD% )
 ASSI { 2537}
   (( segid "    " and resid 114  and name HG  ))
   (  segid "    " and resid 114  and name HD2%)
      2.400     0.700     0.700 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.23518E-02 ppm1      1.902 ppm2      0.841 CV     1
 OR { 2537}
   (( segid "    " and resid 105  and name HG  ))
   (  segid "    " and resid 108  and name HD2%)
 ASSI { 2542}
   (  segid "    " and resid 105  and name HD1%)
   (  segid "    " and resid 113  and name HD% )
      2.800     1.000     1.000 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.29926E-02 ppm1      1.393 ppm2      7.275 CV     1
 OR { 2542}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 72   and name HE3 ))
 ASSI { 2545}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 105  and name HN  ))
      3.600     1.600     1.600 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.11885E-02 ppm1      1.392 ppm2      8.311 CV     1
 OR { 2545}
   (( segid "    " and resid 134  and name HD3 ))
   (( segid "    " and resid 136  and name HN  ))
 ASSI { 2549}
   (( segid "    " and resid 134  and name HD3 ))
   (( segid "    " and resid 132  and name HA  ))
      3.700     1.700     1.700 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.79731E-03 ppm1      1.394 ppm2      3.948 CV     1
 OR { 2549}
   (( segid "    " and resid 134  and name HD2 ))
   (( segid "    " and resid 132  and name HA  ))
 OR { 2549}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 113  and name HA  ))
 OR { 2549}
   (( segid "    " and resid 134  and name HD3 ))
   (( segid "    " and resid 133  and name HA  ))
 OR { 2549}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 109  and name HA1 ))
 OR { 2549}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 114  and name HA  ))
 ASSI { 2550}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 80   and name HB3 ))
      3.400     1.400     1.400 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.14548E-02 ppm1      1.397 ppm2      2.803 CV     1
 OR { 2550}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 128  and name HB3 ))
 OR { 2550}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 2551}
   (( segid "    " and resid 67   and name HD3 ))
   (( segid "    " and resid 67   and name HE3 ))
      3.200     3.200     2.800 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.94356E-03 ppm1      1.399 ppm2      2.966 CV     1
 OR { 2551}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HE3 ))
 OR { 2551}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HE2 ))
 OR { 2551}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HE2 ))
 OR { 2551}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HE3 ))
 OR { 2551}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HE2 ))
 OR { 2551}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HE3 ))
 OR { 2551}
   (( segid "    " and resid 67   and name HD3 ))
   (( segid "    " and resid 67   and name HE2 ))
 OR { 2551}
   (( segid "    " and resid 134  and name HD3 ))
   (( segid "    " and resid 134  and name HE3 ))
 ASSI { 2553}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 100  and name HG2 ))
      3.200     1.200     1.200 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.21855E-02 ppm1      1.393 ppm2      2.218 CV     1
 OR { 2553}
   (( segid "    " and resid 134  and name HD3 ))
   (( segid "    " and resid 135  and name HG3 ))
 OR { 2553}
   (( segid "    " and resid 134  and name HD3 ))
   (( segid "    " and resid 135  and name HG2 ))
 OR { 2553}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 100  and name HG3 ))
 ASSI { 2561}
   (  segid "    " and resid 105  and name HD1%)
   (  segid "    " and resid 108  and name HD2%)
      2.900     1.000     1.000 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.97215E-03 ppm1      1.398 ppm2      0.855 CV     1
 OR { 2561}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 129  and name HB2 ))
 ASSI { 2563}
   (  segid "    " and resid 105  and name HD1%)
   (  segid "    " and resid 116  and name HD1%)
      3.400     1.400     1.400 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.46035E-02 ppm1      1.393 ppm2      0.305 CV     1
 OR { 2563}
   (  segid "    " and resid 105  and name HD1%)
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 2567}
   (  segid "    " and resid 105  and name HD2%)
   (  segid "    " and resid 125  and name HD2%)
      3.800     1.800     1.800 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.11571E-02 ppm1      1.272 ppm2      0.323 CV     1
 OR { 2567}
   (  segid "    " and resid 105  and name HD2%)
   (  segid "    " and resid 116  and name HD1%)
 ASSI { 2583}
   (  segid "    " and resid 105  and name HD2%)
   (( segid "    " and resid 72   and name HZ2 ))
      4.000     2.000     2.000 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.90862E-03 ppm1      1.273 ppm2      7.011 CV     1
 OR { 2583}
   (  segid "    " and resid 105  and name HD2%)
   (  segid "    " and resid 98   and name HE% )
 ASSI { 2591}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 107  and name HB% )
      5.300     3.500     0.700 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.20727E-03 ppm1      3.979 ppm2      1.482 CV     1
 OR { 2591}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 108  and name HB3 ))
 ASSI { 2596}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 126  and name HH2 ))
      3.900     1.900     1.900 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.77281E-03 ppm1      3.980 ppm2      7.127 CV     1
 OR { 2596}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 80   and name HH2 ))
 OR { 2596}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 80   and name HZ3 ))
 ASSI { 2627}
   (  segid "    " and resid 107  and name HB% )
   (  segid "    " and resid 108  and name HD2%)
      4.200     2.200     1.800 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.10111E-02 ppm1      1.476 ppm2      0.896 CV     1
 OR { 2627}
   (  segid "    " and resid 51   and name HB% )
   (  segid "    " and resid 49   and name HD2%)
 ASSI { 2642}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 108  and name HG  ))
      2.600     0.800     0.800 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.29078E-02 ppm1      1.500 ppm2      2.308 CV     1
 OR { 2642}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HG  ))
 OR { 2642}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI { 2651}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 113  and name HA  ))
      3.900     1.900     1.900 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.59714E-03 ppm1      1.497 ppm2      3.969 CV     1
 OR { 2651}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 113  and name HA  ))
 OR { 2651}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 109  and name HA2 ))
 OR { 2651}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 109  and name HA1 ))
 OR { 2651}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 109  and name HA2 ))
 OR { 2651}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 109  and name HA1 ))
 ASSI { 2655}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 65   and name HN  ))
      3.300     1.400     1.400 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.13296E-02 ppm1      1.503 ppm2      7.851 CV     1
 OR { 2655}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 109  and name HN  ))
 OR { 2655}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
 OR { 2655}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 109  and name HN  ))
 ASSI { 2669}
   (  segid "    " and resid 108  and name HD1%)
   (  segid "    " and resid 108  and name HD2%)
      2.000     0.500     0.500 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.14014E-01 ppm1      1.062 ppm2      0.865 CV     1
 OR { 2669}
   (  segid "    " and resid 108  and name HD1%)
   (  segid "    " and resid 114  and name HD2%)
 ASSI { 2673}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 110  and name HA  ))
      2.700     0.900     0.900 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.68178E-02 ppm1      1.063 ppm2      2.216 CV     1
 OR { 2673}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 100  and name HG2 ))
 ASSI { 2680}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 109  and name HA1 ))
      2.800     1.000     1.000 peak  2680 spectrum    1 weight  0.10000E+01 volume  0.53751E-02 ppm1      1.063 ppm2      3.964 CV     1
 OR { 2680}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 113  and name HA  ))
 OR { 2680}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 109  and name HA2 ))
 ASSI { 2684}
   (  segid "    " and resid 108  and name HD2%)
   (  segid "    " and resid 108  and name HD1%)
      1.700     0.400     0.500 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.25196E-01 ppm1      0.876 ppm2      1.077 CV     1
 OR { 2684}
   (  segid "    " and resid 90   and name HD2%)
   (  segid "    " and resid 121  and name HG2%)
 ASSI { 2687}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 116  and name HB3 ))
      3.500     1.500     1.500 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.18324E-02 ppm1      0.876 ppm2      0.613 CV     1
 OR { 2687}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 116  and name HB2 ))
 OR { 2687}
   (  segid "    " and resid 90   and name HD2%)
   (  segid "    " and resid 124  and name HG2%)
 ASSI { 2693}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 99   and name HB3 ))
      1.800     1.800     4.200 peak  2693 spectrum    1 weight  0.10000E+01 volume  0.53055E-02 ppm1      0.874 ppm2      2.910 CV     1
 OR { 2693}
   (  segid "    " and resid 132  and name HD2%)
   (( segid "    " and resid 134  and name HE2 ))
 OR { 2693}
   (  segid "    " and resid 132  and name HD2%)
   (( segid "    " and resid 134  and name HE3 ))
 ASSI { 2696}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 113  and name HA  ))
      2.400     0.700     0.700 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.46483E-02 ppm1      0.876 ppm2      3.955 CV     1
 OR { 2696}
   (  segid "    " and resid 132  and name HD2%)
   (( segid "    " and resid 132  and name HA  ))
 ASSI { 2719}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      2.900     1.100     1.100 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.23852E-02 ppm1      2.178 ppm2      8.430 CV     1
 OR { 2719}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
 ASSI { 2749}
   (( segid "    " and resid 110  and name HG2 ))
   (( segid "    " and resid 114  and name HG  ))
      3.900     1.900     1.900 peak  2749 spectrum    1 weight  0.10000E+01 volume  0.69950E-03 ppm1     -0.284 ppm2      1.938 CV     1
 OR { 2749}
   (( segid "    " and resid 110  and name HG3 ))
   (( segid "    " and resid 114  and name HG  ))
 OR { 2749}
   (( segid "    " and resid 110  and name HG3 ))
   (( segid "    " and resid 111  and name HB2 ))
 OR { 2749}
   (( segid "    " and resid 110  and name HG3 ))
   (( segid "    " and resid 111  and name HB3 ))
 ASSI { 2796}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 129  and name HG  ))
      4.300     2.400     1.700 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.78130E-03 ppm1      3.729 ppm2      1.247 CV     1
 OR { 2796}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 110  and name HD2 ))
 OR { 2796}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 110  and name HD3 ))
 ASSI { 2798}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 112  and name HN  ))
      3.100     1.200     1.200 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.19385E-02 ppm1      3.731 ppm2      7.901 CV     1
 OR { 2798}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
 ASSI { 2821}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 112  and name HA  ))
      2.500     0.800     0.800 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.52394E-02 ppm1      2.844 ppm2      4.149 CV     1
 OR { 2821}
   (( segid "    " and resid 112  and name HB3 ))
   (( segid "    " and resid 112  and name HA  ))
 OR { 2821}
   (( segid "    " and resid 112  and name HB3 ))
   (( segid "    " and resid 108  and name HA  ))
 ASSI { 2850}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 108  and name HD2%)
      3.000     1.100     1.100 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.89954E-03 ppm1      3.968 ppm2      0.841 CV     1
 OR { 2850}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 114  and name HD2%)
 ASSI { 2859}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 113  and name HA  ))
      2.700     0.900     0.900 peak  2859 spectrum    1 weight  0.10000E+01 volume  0.23914E-02 ppm1      3.027 ppm2      3.967 CV     1
 OR { 2859}
   (( segid "    " and resid 113  and name HB3 ))
   (( segid "    " and resid 113  and name HA  ))
 OR { 2859}
   (( segid "    " and resid 113  and name HB3 ))
   (( segid "    " and resid 114  and name HA  ))
 OR { 2859}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 109  and name HA1 ))
 OR { 2859}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 114  and name HA  ))
 ASSI { 2871}
   (( segid "    " and resid 114  and name HB3 ))
   (( segid "    " and resid 122  and name HA2 ))
      4.100     2.100     1.900 peak  2871 spectrum    1 weight  0.10000E+01 volume  0.81295E-03 ppm1      1.487 ppm2      3.731 CV     1
 OR { 2871}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 111  and name HA  ))
 OR { 2871}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 122  and name HA2 ))
 OR { 2871}
   (( segid "    " and resid 114  and name HB3 ))
   (( segid "    " and resid 122  and name HA1 ))
 ASSI { 2874}
   (( segid "    " and resid 114  and name HB3 ))
   (( segid "    " and resid 118  and name HB2 ))
      2.600     2.600     3.400 peak  2874 spectrum    1 weight  0.10000E+01 volume  0.12423E-01 ppm1      1.486 ppm2      1.815 CV     1
 OR { 2874}
   (( segid "    " and resid 114  and name HB3 ))
   (( segid "    " and resid 118  and name HB3 ))
 OR { 2874}
   (( segid "    " and resid 114  and name HB3 ))
   (( segid "    " and resid 124  and name HB  ))
 OR { 2874}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 118  and name HB2 ))
 OR { 2874}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 124  and name HB  ))
 ASSI { 2882}
   (( segid "    " and resid 114  and name HG  ))
   (( segid "    " and resid 111  and name HA  ))
      4.200     2.200     1.800 peak  2882 spectrum    1 weight  0.10000E+01 volume  0.67267E-03 ppm1      1.920 ppm2      3.732 CV     1
 OR { 2882}
   (( segid "    " and resid 114  and name HG  ))
   (( segid "    " and resid 122  and name HA2 ))
 OR { 2882}
   (( segid "    " and resid 114  and name HG  ))
   (( segid "    " and resid 122  and name HA1 ))
 ASSI { 2883}
   (( segid "    " and resid 105  and name HG  ))
   (( segid "    " and resid 106  and name HA  ))
      3.400     1.400     1.400 peak  2883 spectrum    1 weight  0.10000E+01 volume  0.11106E-02 ppm1      1.925 ppm2      3.962 CV     1
 OR { 2883}
   (( segid "    " and resid 114  and name HG  ))
   (( segid "    " and resid 114  and name HA  ))
 ASSI { 2891}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 116  and name HN  ))
      3.100     1.200     1.200 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.13439E-02 ppm1      3.951 ppm2      7.684 CV     1
 OR { 2891}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 131  and name HN  ))
 ASSI { 2895}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 114  and name HD1%)
      3.300     1.400     1.400 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.28167E-02 ppm1      3.949 ppm2      0.784 CV     1
 OR { 2895}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 69   and name HG3 ))
 OR { 2895}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
 ASSI { 2896}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 114  and name HD2%)
      1.800     0.400     0.400 peak  2896 spectrum    1 weight  0.10000E+01 volume  0.14581E-01 ppm1      3.949 ppm2      0.856 CV     1
 OR { 2896}
   (( segid "    " and resid 132  and name HA  ))
   (  segid "    " and resid 132  and name HD2%)
 ASSI { 2897}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 117  and name HB% )
      3.800     1.800     1.800 peak  2897 spectrum    1 weight  0.10000E+01 volume  0.99670E-03 ppm1      3.949 ppm2      1.186 CV     1
 OR { 2897}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI { 2907}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 124  and name HB  ))
      3.000     3.000     3.000 peak  2907 spectrum    1 weight  0.10000E+01 volume  0.57212E-02 ppm1      0.776 ppm2      1.817 CV     1
 OR { 2907}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 118  and name HB2 ))
 OR { 2907}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 118  and name HB3 ))
 ASSI { 2911}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 122  and name HA2 ))
      3.900     1.900     1.900 peak  2911 spectrum    1 weight  0.10000E+01 volume  0.30162E-02 ppm1      0.777 ppm2      3.731 CV     1
 OR { 2911}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 111  and name HA  ))
 ASSI { 2913}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 122  and name HN  ))
      4.500     2.500     1.500 peak  2913 spectrum    1 weight  0.10000E+01 volume  0.67205E-03 ppm1      0.776 ppm2      7.916 CV     1
 OR { 2913}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 127  and name HN  ))
 OR { 2913}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 112  and name HN  ))
 ASSI { 2922}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 114  and name HA  ))
      1.800     0.400     0.400 peak  2922 spectrum    1 weight  0.10000E+01 volume  0.15663E-01 ppm1      0.843 ppm2      3.947 CV     1
 OR { 2922}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 113  and name HA  ))
 ASSI { 2923}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 123  and name HA  ))
      1.800     0.400     0.400 peak  2923 spectrum    1 weight  0.10000E+01 volume  0.17789E-01 ppm1      0.843 ppm2      4.378 CV     1
 OR { 2923}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 63   and name HA  ))
 ASSI { 2936}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115  and name HA  ))
      2.500     0.800     0.800 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.46748E-02 ppm1      2.072 ppm2      4.135 CV     1
 OR { 2936}
   (( segid "    " and resid 115  and name HB3 ))
   (( segid "    " and resid 115  and name HA  ))
 OR { 2936}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 112  and name HA  ))
 ASSI { 2946}
   (( segid "    " and resid 115  and name HG2 ))
   (( segid "    " and resid 110  and name HE2 ))
      1.500     1.500     4.500 peak  2946 spectrum    1 weight  0.10000E+01 volume  0.30688E-01 ppm1      2.249 ppm2      2.502 CV     1
 OR { 2946}
   (( segid "    " and resid 115  and name HG3 ))
   (( segid "    " and resid 110  and name HE2 ))
 OR { 2946}
   (( segid "    " and resid 115  and name HG2 ))
   (( segid "    " and resid 110  and name HE3 ))
 OR { 2946}
   (( segid "    " and resid 115  and name HG3 ))
   (( segid "    " and resid 110  and name HE3 ))
 OR { 2946}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR { 2946}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 2987}
   (  segid "    " and resid 116  and name HD1%)
   (  segid "    " and resid 108  and name HD1%)
      2.100     2.100     3.900 peak  2987 spectrum    1 weight  0.10000E+01 volume  0.57299E-02 ppm1      0.300 ppm2      1.063 CV     1
 OR { 2987}
   (  segid "    " and resid 116  and name HD1%)
   (  segid "    " and resid 85   and name HG2%)
 ASSI { 2995}
   (  segid "    " and resid 116  and name HD1%)
   (  segid "    " and resid 113  and name HD% )
      3.600     1.600     1.600 peak  2995 spectrum    1 weight  0.10000E+01 volume  0.12399E-02 ppm1      0.300 ppm2      7.278 CV     1
 OR { 2995}
   (  segid "    " and resid 116  and name HD1%)
   (( segid "    " and resid 98   and name HN  ))
 ASSI { 2996}
   (  segid "    " and resid 116  and name HD1%)
   (  segid "    " and resid 98   and name HD% )
      3.700     1.700     1.700 peak  2996 spectrum    1 weight  0.10000E+01 volume  0.10581E-02 ppm1      0.300 ppm2      7.152 CV     1
 OR { 2996}
   (  segid "    " and resid 116  and name HD1%)
   (( segid "    " and resid 117  and name HN  ))
 ASSI { 3000}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 117  and name HN  ))
      3.200     1.300     1.300 peak  3000 spectrum    1 weight  0.10000E+01 volume  0.99573E-03 ppm1      0.503 ppm2      7.163 CV     1
 OR { 3000}
   (  segid "    " and resid 116  and name HD2%)
   (  segid "    " and resid 98   and name HD% )
 ASSI { 3003}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 122  and name HA1 ))
      2.400     0.700     0.700 peak  3003 spectrum    1 weight  0.10000E+01 volume  0.14057E-01 ppm1      0.504 ppm2      3.792 CV     1
 OR { 3003}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 116  and name HA  ))
 ASSI { 3009}
   (  segid "    " and resid 116  and name HD2%)
   (  segid "    " and resid 100  and name HE% )
      2.700     0.900     0.900 peak  3009 spectrum    1 weight  0.10000E+01 volume  0.47727E-02 ppm1      0.504 ppm2      2.025 CV     1
 OR { 3009}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 121  and name HB  ))
 ASSI { 3010}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 125  and name HG  ))
      2.900     2.900     3.100 peak  3010 spectrum    1 weight  0.10000E+01 volume  0.21993E-02 ppm1      0.504 ppm2      1.808 CV     1
 OR { 3010}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 118  and name HB2 ))
 OR { 3010}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 118  and name HB3 ))
 ASSI { 3012}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 97   and name HG3 ))
      1.800     1.800     4.200 peak  3012 spectrum    1 weight  0.10000E+01 volume  0.54578E-02 ppm1      0.504 ppm2      1.680 CV     1
 OR { 3012}
   (  segid "    " and resid 116  and name HD2%)
   (  segid "    " and resid 77   and name HG1%)
 OR { 3012}
   (  segid "    " and resid 116  and name HD2%)
   (( segid "    " and resid 97   and name HG2 ))
 ASSI { 3018}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 118  and name HG3 ))
      4.200     2.200     1.800 peak  3018 spectrum    1 weight  0.10000E+01 volume  0.14766E-02 ppm1      4.891 ppm2      2.016 CV     1
 OR { 3018}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 121  and name HB  ))
 OR { 3018}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 3020}
   (( segid "    " and resid 117  and name HA  ))
   (  segid "    " and resid 93   and name HG2%)
      4.200     2.200     1.800 peak  3020 spectrum    1 weight  0.10000E+01 volume  0.69481E-03 ppm1      4.890 ppm2      0.584 CV     1
 OR { 3020}
   (( segid "    " and resid 117  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 3027}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 117  and name HN  ))
      2.200     0.600     0.600 peak  3027 spectrum    1 weight  0.10000E+01 volume  0.87645E-02 ppm1      1.172 ppm2      7.166 CV     1
 OR { 3027}
   (  segid "    " and resid 117  and name HB% )
   (  segid "    " and resid 98   and name HD% )
 ASSI { 3036}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 119  and name HA  ))
      3.000     3.000     3.000 peak  3036 spectrum    1 weight  0.10000E+01 volume  0.53312E-02 ppm1      1.172 ppm2      4.334 CV     1
 OR { 3036}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 125  and name HA  ))
 ASSI { 3042}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 93   and name HA  ))
      3.500     1.500     1.500 peak  3042 spectrum    1 weight  0.10000E+01 volume  0.14886E-02 ppm1      1.171 ppm2      3.648 CV     1
 OR { 3042}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 121  and name HA  ))
 ASSI { 3043}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 121  and name HB  ))
      2.800     1.000     1.000 peak  3043 spectrum    1 weight  0.10000E+01 volume  0.57643E-02 ppm1      1.172 ppm2      2.009 CV     1
 OR { 3043}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 118  and name HG2 ))
 OR { 3043}
   (  segid "    " and resid 117  and name HB% )
   (( segid "    " and resid 118  and name HG3 ))
 ASSI { 3050}
   (  segid "    " and resid 117  and name HB% )
   (  segid "    " and resid 93   and name HG2%)
      2.400     0.700     0.700 peak  3050 spectrum    1 weight  0.10000E+01 volume  0.73316E-02 ppm1      1.172 ppm2      0.569 CV     1
 OR { 3050}
   (  segid "    " and resid 117  and name HB% )
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 3058}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 110  and name HE3 ))
      1.700     1.700     4.300 peak  3058 spectrum    1 weight  0.10000E+01 volume  0.13348E-01 ppm1      4.291 ppm2      2.506 CV     1
 OR { 3058}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 110  and name HE2 ))
 OR { 3058}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 127  and name HG2 ))
 ASSI { 3062}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 72   and name HE3 ))
      4.300     2.400     1.700 peak  3062 spectrum    1 weight  0.10000E+01 volume  0.63177E-03 ppm1      2.520 ppm2      7.278 CV     1
 OR { 3062}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 72   and name HE3 ))
 OR { 3062}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 95   and name HD% )
 OR { 3062}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 95   and name HE% )
 OR { 3062}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 95   and name HE% )
 ASSI { 3065}
   (( segid "    " and resid 119  and name HB3 ))
   (( segid "    " and resid 110  and name HE3 ))
      1.400     1.400     4.600 peak  3065 spectrum    1 weight  0.10000E+01 volume  0.35769E-01 ppm1      2.384 ppm2      2.525 CV     1
 OR { 3065}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 110  and name HE3 ))
 OR { 3065}
   (( segid "    " and resid 119  and name HB3 ))
   (( segid "    " and resid 127  and name HG2 ))
 OR { 3065}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 127  and name HG2 ))
 OR { 3065}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 127  and name HG3 ))
 ASSI { 3068}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 115  and name HG2 ))
      2.800     2.800     3.200 peak  3068 spectrum    1 weight  0.10000E+01 volume  0.77216E-03 ppm1      2.390 ppm2      2.258 CV     1
 OR { 3068}
   (( segid "    " and resid 119  and name HB3 ))
   (( segid "    " and resid 115  and name HG3 ))
 OR { 3068}
   (( segid "    " and resid 119  and name HB3 ))
   (( segid "    " and resid 115  and name HG2 ))
 OR { 3068}
   (( segid "    " and resid 119  and name HB3 ))
   (( segid "    " and resid 127  and name HB2 ))
 OR { 3068}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 127  and name HB2 ))
 OR { 3068}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 127  and name HB3 ))
 ASSI { 3087}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 122  and name HN  ))
      3.300     1.300     1.300 peak  3087 spectrum    1 weight  0.10000E+01 volume  0.13713E-02 ppm1      3.629 ppm2      7.941 CV     1
 OR { 3087}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 135  and name HN  ))
 ASSI { 3089}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HB  ))
      2.600     0.800     0.800 peak  3089 spectrum    1 weight  0.10000E+01 volume  0.30246E-02 ppm1      3.629 ppm2      2.009 CV     1
 OR { 3089}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 3093}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 130  and name HG3 ))
      3.800     1.800     1.800 peak  3093 spectrum    1 weight  0.10000E+01 volume  0.10671E-02 ppm1      3.630 ppm2      1.495 CV     1
 OR { 3093}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 130  and name HG2 ))
 OR { 3093}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 50   and name HD2 ))
 OR { 3093}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 50   and name HD3 ))
 ASSI { 3101}
   (( segid "    " and resid 121  and name HB  ))
   (  segid "    " and resid 93   and name HG2%)
      3.600     1.600     1.600 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.13187E-02 ppm1      2.003 ppm2      0.559 CV     1
 OR { 3101}
   (( segid "    " and resid 121  and name HB  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 3113}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 125  and name HN  ))
      3.500     1.600     1.600 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.78265E-03 ppm1      0.821 ppm2      7.655 CV     1
 OR { 3113}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 116  and name HN  ))
 ASSI { 3121}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 121  and name HB  ))
      1.900     0.500     0.500 peak  3121 spectrum    1 weight  0.10000E+01 volume  0.11944E-01 ppm1      0.821 ppm2      2.007 CV     1
 OR { 3121}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 3123}
   (  segid "    " and resid 121  and name HG1%)
   (  segid "    " and resid 121  and name HG2%)
      1.900     0.500     0.500 peak  3123 spectrum    1 weight  0.10000E+01 volume  0.20024E-01 ppm1      0.820 ppm2      1.091 CV     1
 OR { 3123}
   (  segid "    " and resid 114  and name HD2%)
   (  segid "    " and resid 108  and name HD1%)
 ASSI { 3124}
   (  segid "    " and resid 121  and name HG1%)
   (  segid "    " and resid 117  and name HB% )
      2.300     0.600     0.600 peak  3124 spectrum    1 weight  0.10000E+01 volume  0.98326E-02 ppm1      0.821 ppm2      1.179 CV     1
 OR { 3124}
   (  segid "    " and resid 114  and name HD2%)
   (  segid "    " and resid 117  and name HB% )
 ASSI { 3126}
   (  segid "    " and resid 121  and name HG1%)
   (  segid "    " and resid 93   and name HG2%)
      1.900     0.500     0.500 peak  3126 spectrum    1 weight  0.10000E+01 volume  0.18714E-01 ppm1      0.820 ppm2      0.576 CV     1
 OR { 3126}
   (  segid "    " and resid 121  and name HG1%)
   (  segid "    " and resid 125  and name HD1%)
 OR { 3126}
   (  segid "    " and resid 121  and name HG1%)
   (  segid "    " and resid 124  and name HG2%)
 ASSI { 3128}
   (  segid "    " and resid 121  and name HG1%)
   (  segid "    " and resid 125  and name HD2%)
      3.400     1.400     1.400 peak  3128 spectrum    1 weight  0.10000E+01 volume  0.31221E-02 ppm1      0.821 ppm2      0.306 CV     1
 OR { 3128}
   (  segid "    " and resid 121  and name HG1%)
   (  segid "    " and resid 93   and name HG1%)
 ASSI { 3133}
   (  segid "    " and resid 121  and name HG2%)
   (  segid "    " and resid 120  and name HD% )
      3.600     1.600     1.600 peak  3133 spectrum    1 weight  0.10000E+01 volume  0.11869E-02 ppm1      1.091 ppm2      7.284 CV     1
 OR { 3133}
   (  segid "    " and resid 121  and name HG2%)
   (  segid "    " and resid 88   and name HE% )
 ASSI { 3140}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 121  and name HB  ))
      1.900     0.500     0.500 peak  3140 spectrum    1 weight  0.10000E+01 volume  0.12921E-01 ppm1      1.091 ppm2      2.009 CV     1
 OR { 3140}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 118  and name HG2 ))
 OR { 3140}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 118  and name HG3 ))
 ASSI { 3142}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 59   and name HG3 ))
      4.400     2.400     1.600 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.64007E-03 ppm1      0.820 ppm2      2.355 CV     1
 OR { 3142}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 85   and name HB  ))
 ASSI { 3145}
   (  segid "    " and resid 121  and name HG2%)
   (  segid "    " and resid 124  and name HD1%)
      2.700     0.900     0.900 peak  3145 spectrum    1 weight  0.10000E+01 volume  0.55727E-02 ppm1      1.091 ppm2      0.582 CV     1
 OR { 3145}
   (  segid "    " and resid 121  and name HG2%)
   (  segid "    " and resid 93   and name HG2%)
 OR { 3145}
   (  segid "    " and resid 121  and name HG2%)
   (  segid "    " and resid 124  and name HG2%)
 ASSI { 3149}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 119  and name HA  ))
      2.400     2.400     3.600 peak  3149 spectrum    1 weight  0.10000E+01 volume  0.15667E-01 ppm1      3.748 ppm2      4.333 CV     1
 OR { 3149}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HA  ))
 OR { 3149}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 119  and name HA  ))
 OR { 3149}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 105  and name HA  ))
 ASSI { 3154}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 124  and name HB  ))
      3.700     1.700     1.700 peak  3154 spectrum    1 weight  0.10000E+01 volume  0.71322E-03 ppm1      3.748 ppm2      1.815 CV     1
 OR { 3154}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HG  ))
 OR { 3154}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 124  and name HB  ))
 OR { 3154}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 125  and name HG  ))
 ASSI { 3156}
   (( segid "    " and resid 122  and name HA2 ))
   (  segid "    " and resid 114  and name HD2%)
      2.500     0.800     0.800 peak  3156 spectrum    1 weight  0.10000E+01 volume  0.31517E-02 ppm1      3.747 ppm2      0.841 CV     1
 OR { 3156}
   (( segid "    " and resid 122  and name HA1 ))
   (  segid "    " and resid 114  and name HD2%)
 OR { 3156}
   (( segid "    " and resid 122  and name HA1 ))
   (  segid "    " and resid 108  and name HD2%)
 ASSI { 3157}
   (( segid "    " and resid 122  and name HA1 ))
   (  segid "    " and resid 125  and name HD1%)
      3.400     1.500     1.500 peak  3157 spectrum    1 weight  0.10000E+01 volume  0.14608E-02 ppm1      3.748 ppm2      0.558 CV     1
 OR { 3157}
   (( segid "    " and resid 122  and name HA1 ))
   (  segid "    " and resid 93   and name HG2%)
 OR { 3157}
   (( segid "    " and resid 122  and name HA2 ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 3167}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HN  ))
      3.500     1.500     1.500 peak  3167 spectrum    1 weight  0.10000E+01 volume  0.74761E-03 ppm1      3.744 ppm2      7.659 CV     1
 OR { 3167}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 116  and name HN  ))
 ASSI { 3169}
   (( segid "    " and resid 123  and name HA  ))
   (  segid "    " and resid 114  and name HD2%)
      2.100     0.500     0.500 peak  3169 spectrum    1 weight  0.10000E+01 volume  0.56757E-02 ppm1      4.391 ppm2      0.844 CV     1
 OR { 3169}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 108  and name HD2%)
 ASSI { 3187}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HG12))
      2.200     0.600     0.600 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.50093E-02 ppm1      3.922 ppm2      0.909 CV     1
 OR { 3187}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HG13))
 OR { 3187}
   (( segid "    " and resid 124  and name HA  ))
   (  segid "    " and resid 49   and name HD1%)
 ASSI { 3196}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 125  and name HA  ))
      3.900     1.900     1.900 peak  3196 spectrum    1 weight  0.10000E+01 volume  0.61299E-03 ppm1      3.923 ppm2      4.360 CV     1
 OR { 3196}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 123  and name HA  ))
 OR { 3196}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 3197}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 127  and name HN  ))
      3.100     1.200     1.200 peak  3197 spectrum    1 weight  0.10000E+01 volume  0.17911E-02 ppm1      3.921 ppm2      7.933 CV     1
 OR { 3197}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 128  and name HN  ))
 ASSI { 3200}
   (( segid "    " and resid 124  and name HA  ))
   (  segid "    " and resid 88   and name HE% )
      4.100     2.100     1.900 peak  3200 spectrum    1 weight  0.10000E+01 volume  0.80924E-03 ppm1      3.919 ppm2      7.292 CV     1
 OR { 3200}
   (( segid "    " and resid 124  and name HA  ))
   (  segid "    " and resid 120  and name HD% )
 OR { 3200}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 88   and name HZ  ))
 ASSI { 3205}
   (( segid "    " and resid 124  and name HB  ))
   (( segid "    " and resid 124  and name HG12))
      2.500     0.800     0.800 peak  3205 spectrum    1 weight  0.10000E+01 volume  0.24717E-02 ppm1      1.833 ppm2      0.907 CV     1
 OR { 3205}
   (( segid "    " and resid 124  and name HB  ))
   (( segid "    " and resid 124  and name HG13))
 OR { 3205}
   (( segid "    " and resid 124  and name HB  ))
   (  segid "    " and resid 49   and name HD1%)
 ASSI { 3207}
   (( segid "    " and resid 124  and name HB  ))
   (( segid "    " and resid 125  and name HN  ))
      2.400     0.700     0.700 peak  3207 spectrum    1 weight  0.10000E+01 volume  0.32270E-02 ppm1      1.838 ppm2      7.651 CV     1
 OR { 3207}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
 OR { 3207}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 3210}
   (( segid "    " and resid 124  and name HG12))
   (( segid "    " and resid 127  and name HN  ))
      3.800     1.800     1.800 peak  3210 spectrum    1 weight  0.10000E+01 volume  0.18535E-02 ppm1      0.913 ppm2      7.934 CV     1
 OR { 3210}
   (( segid "    " and resid 124  and name HG13))
   (( segid "    " and resid 127  and name HN  ))
 OR { 3210}
   (( segid "    " and resid 124  and name HG13))
   (( segid "    " and resid 128  and name HN  ))
 OR { 3210}
   (( segid "    " and resid 124  and name HG12))
   (( segid "    " and resid 128  and name HN  ))
 ASSI { 3230}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 124  and name HB  ))
      1.800     0.400     0.400 peak  3230 spectrum    1 weight  0.10000E+01 volume  0.12959E-01 ppm1      0.614 ppm2      1.831 CV     1
 OR { 3230}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 125  and name HG  ))
 ASSI { 3232}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 88   and name HB2 ))
      3.500     1.500     1.500 peak  3232 spectrum    1 weight  0.10000E+01 volume  0.11769E-02 ppm1      0.613 ppm2      2.553 CV     1
 OR { 3232}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 88   and name HB3 ))
 OR { 3232}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 127  and name HG3 ))
 OR { 3232}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 127  and name HG2 ))
 ASSI { 3235}
   (  segid "    " and resid 124  and name HG2%)
   (  segid "    " and resid 49   and name HD1%)
      1.900     0.500     0.500 peak  3235 spectrum    1 weight  0.10000E+01 volume  0.12512E-01 ppm1      0.614 ppm2      0.900 CV     1
 OR { 3235}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 124  and name HG13))
 OR { 3235}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 124  and name HG12))
 ASSI { 3244}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 128  and name HN  ))
      3.800     1.800     1.800 peak  3244 spectrum    1 weight  0.10000E+01 volume  0.94876E-03 ppm1      0.613 ppm2      7.924 CV     1
 OR { 3244}
   (  segid "    " and resid 124  and name HG2%)
   (( segid "    " and resid 127  and name HN  ))
 ASSI { 3250}
   (  segid "    " and resid 124  and name HD1%)
   (  segid "    " and resid 88   and name HE% )
      2.800     1.000     1.000 peak  3250 spectrum    1 weight  0.10000E+01 volume  0.23128E-02 ppm1      0.562 ppm2      7.282 CV     1
 OR { 3250}
   (  segid "    " and resid 124  and name HD1%)
   (  segid "    " and resid 120  and name HD% )
 OR { 3250}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 120  and name HZ  ))
 ASSI { 3252}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 122  and name HN  ))
      2.600     2.600     3.400 peak  3252 spectrum    1 weight  0.10000E+01 volume  0.62169E-03 ppm1      0.555 ppm2      7.951 CV     1
 OR { 3252}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 90   and name HN  ))
 OR { 3252}
   (  segid "    " and resid 124  and name HD1%)
   (( segid "    " and resid 127  and name HN  ))
 ASSI { 3264}
   (  segid "    " and resid 124  and name HD1%)
   (  segid "    " and resid 85   and name HG2%)
      2.500     2.500     3.500 peak  3264 spectrum    1 weight  0.10000E+01 volume  0.73010E-03 ppm1      0.559 ppm2      1.020 CV     1
 OR { 3264}
   (  segid "    " and resid 124  and name HD1%)
   (  segid "    " and resid 52   and name HG2%)
 ASSI { 3273}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 80   and name HH2 ))
      3.300     1.400     1.400 peak  3273 spectrum    1 weight  0.10000E+01 volume  0.18578E-02 ppm1      2.148 ppm2      7.125 CV     1
 OR { 3273}
   (( segid "    " and resid 125  and name HB3 ))
   (( segid "    " and resid 80   and name HH2 ))
 OR { 3273}
   (( segid "    " and resid 125  and name HB3 ))
   (  segid "    " and resid 98   and name HD% )
 OR { 3273}
   (( segid "    " and resid 125  and name HB3 ))
   (( segid "    " and resid 80   and name HZ3 ))
 ASSI { 3279}
   (( segid "    " and resid 125  and name HB3 ))
   (( segid "    " and resid 85   and name HB  ))
      3.300     3.300     2.700 peak  3279 spectrum    1 weight  0.10000E+01 volume  0.59530E-02 ppm1      2.147 ppm2      2.351 CV     1
 OR { 3279}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 85   and name HB  ))
 OR { 3279}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 108  and name HG  ))
 ASSI { 3292}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 121  and name HG1%)
      3.400     1.500     1.500 peak  3292 spectrum    1 weight  0.10000E+01 volume  0.10419E-02 ppm1      1.807 ppm2      0.834 CV     1
 OR { 3292}
   (( segid "    " and resid 90   and name HG  ))
   (  segid "    " and resid 121  and name HG1%)
 ASSI { 3293}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 85   and name HB  ))
      3.700     1.700     1.700 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.12725E-02 ppm1      1.803 ppm2      2.358 CV     1
 OR { 3293}
   (( segid "    " and resid 90   and name HG  ))
   (( segid "    " and resid 85   and name HB  ))
 ASSI { 3302}
   (  segid "    " and resid 125  and name HD1%)
   (  segid "    " and resid 98   and name HD% )
      3.600     1.600     1.600 peak  3302 spectrum    1 weight  0.10000E+01 volume  0.15321E-02 ppm1      0.554 ppm2      7.121 CV     1
 OR { 3302}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 80   and name HH2 ))
 ASSI { 3307}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 122  and name HA1 ))
      3.100     1.200     1.200 peak  3307 spectrum    1 weight  0.10000E+01 volume  0.14191E-02 ppm1      0.554 ppm2      3.747 CV     1
 OR { 3307}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 126  and name HA  ))
 ASSI { 3314}
   (  segid "    " and resid 125  and name HD1%)
   (  segid "    " and resid 81   and name HG1%)
      1.900     0.500     0.500 peak  3314 spectrum    1 weight  0.10000E+01 volume  0.11988E-01 ppm1      0.554 ppm2      0.332 CV     1
 OR { 3314}
   (  segid "    " and resid 125  and name HD1%)
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 3320}
   (  segid "    " and resid 125  and name HD2%)
   (  segid "    " and resid 49   and name HD1%)
      3.200     1.300     1.300 peak  3320 spectrum    1 weight  0.10000E+01 volume  0.32143E-02 ppm1      0.332 ppm2      0.932 CV     1
 OR { 3320}
   (  segid "    " and resid 125  and name HD2%)
   (  segid "    " and resid 132  and name HD2%)
 ASSI { 3321}
   (  segid "    " and resid 125  and name HD2%)
   (  segid "    " and resid 121  and name HG1%)
      2.500     2.500     3.500 peak  3321 spectrum    1 weight  0.10000E+01 volume  0.16213E-02 ppm1      0.322 ppm2      0.819 CV     1
 OR { 3321}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 ASSI { 3328}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 128  and name HN  ))
      4.200     2.200     1.800 peak  3328 spectrum    1 weight  0.10000E+01 volume  0.64389E-03 ppm1      0.323 ppm2      7.921 CV     1
 OR { 3328}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 127  and name HN  ))
 ASSI { 3329}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 80   and name HZ2 ))
      2.800     1.000     1.000 peak  3329 spectrum    1 weight  0.10000E+01 volume  0.34764E-02 ppm1      0.322 ppm2      7.788 CV     1
 OR { 3329}
   (  segid "    " and resid 125  and name HD2%)
   (  segid "    " and resid 113  and name HE% )
 ASSI { 3333}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 85   and name HN  ))
      3.300     1.400     1.400 peak  3333 spectrum    1 weight  0.10000E+01 volume  0.71324E-03 ppm1      0.323 ppm2      8.867 CV     1
 OR { 3333}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 126  and name HN  ))
 ASSI { 3335}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 128  and name HN  ))
      2.900     1.000     1.000 peak  3335 spectrum    1 weight  0.10000E+01 volume  0.15626E-02 ppm1      4.342 ppm2      7.915 CV     1
 OR { 3335}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 127  and name HN  ))
 ASSI { 3336}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 113  and name HE% )
      3.100     1.200     1.200 peak  3336 spectrum    1 weight  0.10000E+01 volume  0.30444E-02 ppm1      4.339 ppm2      7.788 CV     1
 OR { 3336}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 113  and name HE% )
 ASSI { 3339}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 80   and name HH2 ))
      4.000     2.000     2.000 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.13601E-02 ppm1      4.338 ppm2      7.129 CV     1
 OR { 3339}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 80   and name HZ3 ))
 OR { 3339}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 53   and name HE% )
 OR { 3339}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 80   and name HH2 ))
 OR { 3339}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 80   and name HZ3 ))
 ASSI { 3346}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 124  and name HG2%)
      3.100     1.200     1.200 peak  3346 spectrum    1 weight  0.10000E+01 volume  0.18088E-02 ppm1      4.339 ppm2      0.589 CV     1
 OR { 3346}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 3355}
   (( segid "    " and resid 126  and name HB2 ))
   (  segid "    " and resid 113  and name HE% )
      3.800     1.800     1.800 peak  3355 spectrum    1 weight  0.10000E+01 volume  0.89789E-03 ppm1      3.262 ppm2      7.796 CV     1
 OR { 3355}
   (( segid "    " and resid 126  and name HB3 ))
   (  segid "    " and resid 113  and name HE% )
 OR { 3355}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 80   and name HZ2 ))
 ASSI { 3364}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 80   and name HH2 ))
      3.800     1.800     1.800 peak  3364 spectrum    1 weight  0.10000E+01 volume  0.89802E-03 ppm1      3.743 ppm2      7.109 CV     1
 OR { 3364}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 126  and name HD1 ))
 ASSI { 3368}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 80   and name HZ2 ))
      3.700     1.700     1.700 peak  3368 spectrum    1 weight  0.10000E+01 volume  0.11814E-02 ppm1      3.743 ppm2      7.792 CV     1
 OR { 3368}
   (( segid "    " and resid 126  and name HA  ))
   (  segid "    " and resid 113  and name HE% )
 ASSI { 3369}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 127  and name HN  ))
      3.000     1.100     1.100 peak  3369 spectrum    1 weight  0.10000E+01 volume  0.20188E-02 ppm1      3.741 ppm2      7.932 CV     1
 OR { 3369}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 112  and name HN  ))
 OR { 3369}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
 ASSI { 3371}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HN  ))
      2.300     0.700     0.700 peak  3371 spectrum    1 weight  0.10000E+01 volume  0.72926E-02 ppm1      3.892 ppm2      7.933 CV     1
 OR { 3371}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 128  and name HN  ))
 ASSI { 3377}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 128  and name HA  ))
      3.200     1.300     1.300 peak  3377 spectrum    1 weight  0.10000E+01 volume  0.16165E-02 ppm1      3.895 ppm2      3.771 CV     1
 OR { 3377}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 126  and name HA  ))
 ASSI { 3383}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 127  and name HN  ))
      2.200     0.600     0.600 peak  3383 spectrum    1 weight  0.10000E+01 volume  0.47445E-02 ppm1      2.282 ppm2      7.934 CV     1
 OR { 3383}
   (( segid "    " and resid 127  and name HB3 ))
   (( segid "    " and resid 128  and name HN  ))
 OR { 3383}
   (( segid "    " and resid 127  and name HB3 ))
   (( segid "    " and resid 127  and name HN  ))
 ASSI { 3387}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 124  and name HA  ))
      2.500     0.800     0.800 peak  3387 spectrum    1 weight  0.10000E+01 volume  0.46082E-02 ppm1      2.281 ppm2      3.900 CV     1
 OR { 3387}
   (( segid "    " and resid 127  and name HB3 ))
   (( segid "    " and resid 127  and name HA  ))
 OR { 3387}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 127  and name HA  ))
 ASSI { 3394}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HA  ))
      2.600     0.800     0.800 peak  3394 spectrum    1 weight  0.10000E+01 volume  0.57901E-02 ppm1      2.524 ppm2      3.898 CV     1
 OR { 3394}
   (( segid "    " and resid 127  and name HG3 ))
   (( segid "    " and resid 127  and name HA  ))
 OR { 3394}
   (( segid "    " and resid 127  and name HG3 ))
   (( segid "    " and resid 124  and name HA  ))
 ASSI { 3395}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HN  ))
      3.200     1.300     1.300 peak  3395 spectrum    1 weight  0.10000E+01 volume  0.43856E-02 ppm1      2.525 ppm2      7.936 CV     1
 OR { 3395}
   (( segid "    " and resid 127  and name HG3 ))
   (( segid "    " and resid 127  and name HN  ))
 OR { 3395}
   (( segid "    " and resid 127  and name HG3 ))
   (( segid "    " and resid 128  and name HN  ))
 ASSI { 3397}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 126  and name HD1 ))
      3.500     1.500     1.500 peak  3397 spectrum    1 weight  0.10000E+01 volume  0.14294E-02 ppm1      2.526 ppm2      7.136 CV     1
 OR { 3397}
   (( segid "    " and resid 127  and name HG3 ))
   (( segid "    " and resid 126  and name HD1 ))
 OR { 3397}
   (( segid "    " and resid 127  and name HG3 ))
   (  segid "    " and resid 53   and name HE% )
 OR { 3397}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 53   and name HE% )
 ASSI { 3412}
   (( segid "    " and resid 128  and name HA  ))
   (  segid "    " and resid 49   and name HD2%)
      3.700     1.700     1.700 peak  3412 spectrum    1 weight  0.10000E+01 volume  0.96849E-03 ppm1      3.808 ppm2      0.875 CV     1
 OR { 3412}
   (( segid "    " and resid 128  and name HA  ))
   (  segid "    " and resid 49   and name HD1%)
 OR { 3412}
   (( segid "    " and resid 128  and name HA  ))
   (  segid "    " and resid 132  and name HD2%)
 ASSI { 3417}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 128  and name HN  ))
      2.400     0.700     0.700 peak  3417 spectrum    1 weight  0.10000E+01 volume  0.28991E-02 ppm1      3.806 ppm2      7.907 CV     1
 OR { 3417}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
 ASSI { 3434}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
      3.200     1.200     1.200 peak  3434 spectrum    1 weight  0.10000E+01 volume  0.12717E-02 ppm1      3.245 ppm2      7.940 CV     1
 OR { 3434}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 128  and name HN  ))
 ASSI { 3435}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 130  and name HA  ))
      3.900     1.900     1.900 peak  3435 spectrum    1 weight  0.10000E+01 volume  0.73086E-03 ppm1      3.245 ppm2      3.462 CV     1
 OR { 3435}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 70   and name HD3 ))
 ASSI { 3437}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 132  and name HA  ))
      4.500     2.600     1.500 peak  3437 spectrum    1 weight  0.10000E+01 volume  0.73200E-03 ppm1      3.249 ppm2      3.924 CV     1
 OR { 3437}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 133  and name HA  ))
 ASSI { 3441}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HB2 ))
      2.300     0.700     0.700 peak  3441 spectrum    1 weight  0.10000E+01 volume  0.38211E-02 ppm1      3.246 ppm2      0.878 CV     1
 OR { 3441}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HB3 ))
 OR { 3441}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 132  and name HD2%)
 ASSI { 3456}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 129  and name HA  ))
      2.500     0.800     0.800 peak  3456 spectrum    1 weight  0.10000E+01 volume  0.27370E-02 ppm1      0.874 ppm2      3.247 CV     1
 OR { 3456}
   (( segid "    " and resid 129  and name HB3 ))
   (( segid "    " and resid 129  and name HA  ))
 OR { 3456}
   (( segid "    " and resid 129  and name HB3 ))
   (( segid "    " and resid 126  and name HB2 ))
 ASSI { 3471}
   (( segid "    " and resid 129  and name HG  ))
   (( segid "    " and resid 126  and name HH2 ))
      4.100     2.100     1.900 peak  3471 spectrum    1 weight  0.10000E+01 volume  0.78046E-03 ppm1      1.199 ppm2      7.123 CV     1
 OR { 3471}
   (( segid "    " and resid 129  and name HG  ))
   (( segid "    " and resid 80   and name HH2 ))
 ASSI { 3474}
   (( segid "    " and resid 129  and name HG  ))
   (( segid "    " and resid 80   and name HZ2 ))
      4.400     2.400     1.600 peak  3474 spectrum    1 weight  0.10000E+01 volume  0.10253E-02 ppm1      1.203 ppm2      7.787 CV     1
 OR { 3474}
   (( segid "    " and resid 129  and name HG  ))
   (  segid "    " and resid 113  and name HE% )
 ASSI { 3478}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 80   and name HZ2 ))
      3.000     1.100     1.100 peak  3478 spectrum    1 weight  0.10000E+01 volume  0.31021E-02 ppm1      0.109 ppm2      7.791 CV     1
 OR { 3478}
   (  segid "    " and resid 129  and name HD1%)
   (  segid "    " and resid 113  and name HE% )
 ASSI { 3486}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 106  and name HA  ))
      3.300     1.300     1.300 peak  3486 spectrum    1 weight  0.10000E+01 volume  0.10412E-02 ppm1      0.109 ppm2      3.968 CV     1
 OR { 3486}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 132  and name HA  ))
 ASSI { 3488}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 130  and name HA  ))
      4.100     2.100     1.900 peak  3488 spectrum    1 weight  0.10000E+01 volume  0.74403E-03 ppm1      0.108 ppm2      3.464 CV     1
 OR { 3488}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 70   and name HD2 ))
 OR { 3488}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 70   and name HD3 ))
 ASSI { 3492}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 105  and name HB3 ))
      3.700     1.800     1.800 peak  3492 spectrum    1 weight  0.10000E+01 volume  0.12100E-02 ppm1      0.110 ppm2      1.775 CV     1
 OR { 3492}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 133  and name HB3 ))
 OR { 3492}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 133  and name HG2 ))
 OR { 3492}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 133  and name HB2 ))
 ASSI { 3509}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 130  and name HB2 ))
      3.400     1.400     1.400 peak  3509 spectrum    1 weight  0.10000E+01 volume  0.10221E-02 ppm1     -0.019 ppm2      1.775 CV     1
 OR { 3509}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 130  and name HB3 ))
 OR { 3509}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 133  and name HB3 ))
 OR { 3509}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 133  and name HG2 ))
 OR { 3509}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 133  and name HB2 ))
 ASSI { 3515}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 110  and name HA  ))
      2.500     2.500     3.500 peak  3515 spectrum    1 weight  0.10000E+01 volume  0.74834E-03 ppm1     -0.019 ppm2      2.197 CV     1
 OR { 3515}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 100  and name HG2 ))
 ASSI { 3516}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 125  and name HB3 ))
      2.800     2.800     3.200 peak  3516 spectrum    1 weight  0.10000E+01 volume  0.81577E-03 ppm1     -0.019 ppm2      2.111 CV     1
 OR { 3516}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 131  and name HB  ))
 ASSI { 3520}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 130  and name HA  ))
      4.200     2.200     1.800 peak  3520 spectrum    1 weight  0.10000E+01 volume  0.76593E-03 ppm1     -0.019 ppm2      3.464 CV     1
 OR { 3520}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 70   and name HD2 ))
 ASSI { 3521}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 129  and name HA  ))
      2.700     0.900     0.900 peak  3521 spectrum    1 weight  0.10000E+01 volume  0.62863E-02 ppm1     -0.019 ppm2      3.247 CV     1
 OR { 3521}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 126  and name HB2 ))
 ASSI { 3530}
   (  segid "    " and resid 129  and name HD2%)
   (  segid "    " and resid 113  and name HE% )
      2.200     0.600     0.600 peak  3530 spectrum    1 weight  0.10000E+01 volume  0.31913E-02 ppm1     -0.019 ppm2      7.791 CV     1
 OR { 3530}
   (  segid "    " and resid 129  and name HD2%)
   (( segid "    " and resid 80   and name HZ2 ))
 ASSI { 3536}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 133  and name HN  ))
      3.300     1.400     1.400 peak  3536 spectrum    1 weight  0.10000E+01 volume  0.14804E-02 ppm1      3.472 ppm2      7.342 CV     1
 OR { 3536}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 83   and name HD1 ))
 OR { 3536}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 83   and name HZ2 ))
 ASSI { 3539}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HB  ))
      3.600     1.600     1.600 peak  3539 spectrum    1 weight  0.10000E+01 volume  0.14725E-02 ppm1      3.472 ppm2      2.097 CV     1
 OR { 3539}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 137  and name HB  ))
 ASSI { 3541}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HB2 ))
      2.000     0.500     0.500 peak  3541 spectrum    1 weight  0.10000E+01 volume  0.15981E-01 ppm1      3.472 ppm2      1.738 CV     1
 OR { 3541}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HB3 ))
 OR { 3541}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
 ASSI { 3543}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 129  and name HB3 ))
      4.200     2.200     1.800 peak  3543 spectrum    1 weight  0.10000E+01 volume  0.59982E-03 ppm1      3.472 ppm2      0.886 CV     1
 OR { 3543}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 129  and name HB2 ))
 OR { 3543}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 63   and name HD1%)
 OR { 3543}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 63   and name HD1%)
 ASSI { 3546}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      4.400     2.400     1.600 peak  3546 spectrum    1 weight  0.10000E+01 volume  0.70931E-03 ppm1      1.736 ppm2      7.379 CV     1
 OR { 3546}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 58   and name HN  ))
 OR { 3546}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HN  ))
 OR { 3546}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 3547}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      3.900     1.900     1.900 peak  3547 spectrum    1 weight  0.10000E+01 volume  0.87277E-03 ppm1      1.736 ppm2      8.252 CV     1
 OR { 3547}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 3547}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
 OR { 3547}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 3551}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.300     1.300 peak  3551 spectrum    1 weight  0.10000E+01 volume  0.70934E-03 ppm1      1.738 ppm2      4.187 CV     1
 OR { 3551}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 47   and name HA  ))
 OR { 3551}
   (( segid "    " and resid 130  and name HB3 ))
   (( segid "    " and resid 134  and name HA  ))
 OR { 3551}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 134  and name HA  ))
 OR { 3551}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 3556}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HB3 ))
      2.600     0.900     0.900 peak  3556 spectrum    1 weight  0.10000E+01 volume  0.27544E-02 ppm1      1.738 ppm2      1.909 CV     1
 OR { 3556}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR { 3556}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR { 3556}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR { 3556}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HB2 ))
 OR { 3556}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 58   and name HB2 ))
 OR { 3556}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HB3 ))
 ASSI { 3558}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 129  and name HG  ))
      4.000     2.000     2.000 peak  3558 spectrum    1 weight  0.10000E+01 volume  0.12885E-02 ppm1      1.738 ppm2      1.237 CV     1
 OR { 3558}
   (( segid "    " and resid 130  and name HB3 ))
   (( segid "    " and resid 131  and name HG13))
 OR { 3558}
   (( segid "    " and resid 130  and name HB3 ))
   (( segid "    " and resid 131  and name HG12))
 OR { 3558}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 131  and name HG12))
 OR { 3558}
   (( segid "    " and resid 130  and name HB3 ))
   (( segid "    " and resid 129  and name HG  ))
 OR { 3558}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 131  and name HG12))
 OR { 3558}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 131  and name HG13))
 OR { 3558}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 131  and name HG13))
 ASSI { 3559}
   (( segid "    " and resid 130  and name HB3 ))
   (  segid "    " and resid 131  and name HD1%)
      3.100     1.200     1.200 peak  3559 spectrum    1 weight  0.10000E+01 volume  0.15584E-02 ppm1      1.741 ppm2      0.991 CV     1
 OR { 3559}
   (( segid "    " and resid 130  and name HB2 ))
   (  segid "    " and resid 131  and name HD1%)
 OR { 3559}
   (( segid "    " and resid 50   and name HG3 ))
   (  segid "    " and resid 131  and name HD1%)
 OR { 3559}
   (( segid "    " and resid 50   and name HG2 ))
   (  segid "    " and resid 131  and name HD1%)
 ASSI { 3560}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 129  and name HB3 ))
      4.000     2.000     2.000 peak  3560 spectrum    1 weight  0.10000E+01 volume  0.92748E-03 ppm1      1.738 ppm2      0.869 CV     1
 OR { 3560}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 63   and name HD1%)
 OR { 3560}
   (( segid "    " and resid 130  and name HB3 ))
   (( segid "    " and resid 129  and name HB3 ))
 OR { 3560}
   (( segid "    " and resid 50   and name HG2 ))
   (  segid "    " and resid 49   and name HD1%)
 OR { 3560}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 63   and name HD1%)
 OR { 3560}
   (( segid "    " and resid 50   and name HG2 ))
   (  segid "    " and resid 49   and name HD2%)
 OR { 3560}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 129  and name HB2 ))
 ASSI { 3576}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 122  and name HN  ))
      3.600     1.700     1.700 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.76520E-03 ppm1      3.639 ppm2      7.935 CV     1
 OR { 3576}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 135  and name HN  ))
 OR { 3576}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
 ASSI { 3583}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 124  and name HB  ))
      1.900     0.500     0.500 peak  3583 spectrum    1 weight  0.10000E+01 volume  0.65535E-02 ppm1      3.637 ppm2      1.817 CV     1
 OR { 3583}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 134  and name HB2 ))
 OR { 3583}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 134  and name HB3 ))
 ASSI { 3584}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 50   and name HD2 ))
      4.300     2.300     1.700 peak  3584 spectrum    1 weight  0.10000E+01 volume  0.12719E-02 ppm1      3.639 ppm2      1.530 CV     1
 OR { 3584}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 50   and name HD3 ))
 OR { 3584}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI { 3601}
   (( segid "    " and resid 131  and name HG12))
   (  segid "    " and resid 131  and name HD1%)
      1.900     0.400     0.400 peak  3601 spectrum    1 weight  0.10000E+01 volume  0.15735E-01 ppm1      1.234 ppm2      0.995 CV     1
 OR { 3601}
   (( segid "    " and resid 131  and name HG13))
   (  segid "    " and resid 131  and name HD1%)
 OR { 3601}
   (( segid "    " and resid 131  and name HG13))
   (  segid "    " and resid 131  and name HG2%)
 OR { 3601}
   (( segid "    " and resid 131  and name HG12))
   (  segid "    " and resid 131  and name HG2%)
 OR { 3601}
   (( segid "    " and resid 110  and name HD3 ))
   (( segid "    " and resid 110  and name HB2 ))
 ASSI { 3624}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 135  and name HA  ))
      4.100     2.100     1.900 peak  3624 spectrum    1 weight  0.10000E+01 volume  0.62576E-03 ppm1      0.992 ppm2      4.179 CV     1
 OR { 3624}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 134  and name HA  ))
 ASSI { 3625}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
      3.100     1.200     1.200 peak  3625 spectrum    1 weight  0.10000E+01 volume  0.61367E-03 ppm1      0.992 ppm2      4.077 CV     1
 OR { 3625}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 57   and name HA  ))
 ASSI { 3629}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 128  and name HN  ))
      4.700     2.800     1.300 peak  3629 spectrum    1 weight  0.10000E+01 volume  0.63142E-03 ppm1      0.991 ppm2      7.927 CV     1
 OR { 3629}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 130  and name HN  ))
 ASSI { 3640}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
      2.500     2.500     3.500 peak  3640 spectrum    1 weight  0.10000E+01 volume  0.13522E-02 ppm1      0.987 ppm2      4.072 CV     1
 OR { 3640}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 137  and name HA  ))
 ASSI { 3665}
   (( segid "    " and resid 132  and name HB3 ))
   (( segid "    " and resid 70   and name HD3 ))
      3.900     1.900     1.900 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.11897E-02 ppm1      0.998 ppm2      3.485 CV     1
 OR { 3665}
   (( segid "    " and resid 132  and name HB2 ))
   (( segid "    " and resid 130  and name HA  ))
 OR { 3665}
   (( segid "    " and resid 132  and name HB2 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR { 3665}
   (( segid "    " and resid 132  and name HB2 ))
   (( segid "    " and resid 70   and name HD2 ))
 ASSI { 3672}
   (( segid "    " and resid 132  and name HG  ))
   (( segid "    " and resid 132  and name HB3 ))
      2.700     0.900     0.900 peak  3672 spectrum    1 weight  0.10000E+01 volume  0.24827E-02 ppm1      1.317 ppm2      0.998 CV     1
 OR { 3672}
   (( segid "    " and resid 132  and name HG  ))
   (( segid "    " and resid 132  and name HB2 ))
 OR { 3672}
   (( segid "    " and resid 132  and name HG  ))
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 3677}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 130  and name HA  ))
      3.600     1.600     1.600 peak  3677 spectrum    1 weight  0.10000E+01 volume  0.13121E-02 ppm1     -0.090 ppm2      3.477 CV     1
 OR { 3677}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 70   and name HD3 ))
 OR { 3677}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 70   and name HD2 ))
 ASSI { 3680}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 128  and name HD2 ))
      3.700     1.700     1.700 peak  3680 spectrum    1 weight  0.10000E+01 volume  0.10001E-02 ppm1     -0.090 ppm2      6.379 CV     1
 OR { 3680}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 60   and name HE22))
 ASSI { 3689}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 129  and name HG  ))
      3.700     1.700     1.700 peak  3689 spectrum    1 weight  0.10000E+01 volume  0.10995E-02 ppm1     -0.090 ppm2      1.220 CV     1
 OR { 3689}
   (  segid "    " and resid 132  and name HD1%)
   (( segid "    " and resid 131  and name HG12))
 ASSI { 3697}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 132  and name HB2 ))
      2.200     0.600     0.600 peak  3697 spectrum    1 weight  0.10000E+01 volume  0.72373E-02 ppm1      3.938 ppm2      0.995 CV     1
 OR { 3697}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 132  and name HB3 ))
 OR { 3697}
   (( segid "    " and resid 132  and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 3701}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HG  ))
      3.100     1.200     1.200 peak  3701 spectrum    1 weight  0.10000E+01 volume  0.19835E-02 ppm1      3.938 ppm2      1.967 CV     1
 OR { 3701}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 135  and name HB2 ))
 OR { 3701}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 135  and name HB3 ))
 ASSI { 3702}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 70   and name HD3 ))
      3.500     1.500     1.500 peak  3702 spectrum    1 weight  0.10000E+01 volume  0.19713E-02 ppm1      3.920 ppm2      3.472 CV     1
 OR { 3702}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 130  and name HA  ))
 OR { 3702}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 70   and name HD2 ))
 ASSI { 3706}
   (( segid "    " and resid 133  and name HB2 ))
   (( segid "    " and resid 70   and name HD3 ))
      3.400     1.500     1.500 peak  3706 spectrum    1 weight  0.10000E+01 volume  0.10458E-02 ppm1      1.779 ppm2      3.482 CV     1
 OR { 3706}
   (( segid "    " and resid 133  and name HB3 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR { 3706}
   (( segid "    " and resid 133  and name HB3 ))
   (( segid "    " and resid 130  and name HA  ))
 OR { 3706}
   (( segid "    " and resid 133  and name HB2 ))
   (( segid "    " and resid 130  and name HA  ))
 ASSI { 3726}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 130  and name HA  ))
      3.100     1.200     1.200 peak  3726 spectrum    1 weight  0.10000E+01 volume  0.17816E-02 ppm1      1.776 ppm2      3.474 CV     1
 OR { 3726}
   (( segid "    " and resid 133  and name HG3 ))
   (( segid "    " and resid 130  and name HA  ))
 OR { 3726}
   (( segid "    " and resid 133  and name HG3 ))
   (( segid "    " and resid 70   and name HD3 ))
 ASSI { 3739}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 131  and name HB  ))
      2.800     2.800     3.200 peak  3739 spectrum    1 weight  0.10000E+01 volume  0.54356E-02 ppm1      3.913 ppm2      2.076 CV     1
 OR { 3739}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 137  and name HB  ))
 ASSI { 3744}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 134  and name HD3 ))
      3.200     1.300     1.300 peak  3744 spectrum    1 weight  0.10000E+01 volume  0.17577E-02 ppm1      3.913 ppm2      1.444 CV     1
 OR { 3744}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 134  and name HD2 ))
 OR { 3744}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 134  and name HD3 ))
 OR { 3744}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 134  and name HD2 ))
 ASSI { 3746}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HN  ))
      2.500     0.800     0.800 peak  3746 spectrum    1 weight  0.10000E+01 volume  0.40471E-02 ppm1      3.913 ppm2      7.326 CV     1
 OR { 3746}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 133  and name HN  ))
 ASSI { 3747}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HN  ))
      2.200     0.600     0.600 peak  3747 spectrum    1 weight  0.10000E+01 volume  0.10501E-01 ppm1      4.196 ppm2      7.971 CV     1
 OR { 3747}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 137  and name HN  ))
 ASSI { 3749}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 133  and name HA  ))
      3.700     1.700     1.700 peak  3749 spectrum    1 weight  0.10000E+01 volume  0.96944E-03 ppm1      4.199 ppm2      3.921 CV     1
 OR { 3749}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 132  and name HA  ))
 OR { 3749}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 133  and name HA  ))
 ASSI { 3754}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 134  and name HD3 ))
      2.700     0.900     0.900 peak  3754 spectrum    1 weight  0.10000E+01 volume  0.43100E-02 ppm1      4.199 ppm2      1.427 CV     1
 OR { 3754}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HD3 ))
 OR { 3754}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HD2 ))
 ASSI { 3769}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 60   and name HB3 ))
      3.200     3.200     2.800 peak  3769 spectrum    1 weight  0.10000E+01 volume  0.38002E-02 ppm1      1.860 ppm2      1.530 CV     1
 OR { 3769}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR { 3769}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 60   and name HB3 ))
 OR { 3769}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR { 3769}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR { 3769}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR { 3769}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR { 3769}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR { 3769}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR { 3769}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
 ASSI { 3771}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
      2.600     2.600     3.400 peak  3771 spectrum    1 weight  0.10000E+01 volume  0.36477E-02 ppm1      1.801 ppm2      1.530 CV     1
 OR { 3771}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR { 3771}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 60   and name HB3 ))
 OR { 3771}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR { 3771}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 60   and name HB3 ))
 OR { 3771}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR { 3771}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 3772}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 136  and name HB2 ))
      2.800     2.800     3.200 peak  3772 spectrum    1 weight  0.10000E+01 volume  0.45689E-02 ppm1      1.802 ppm2      2.561 CV     1
 OR { 3772}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 136  and name HB3 ))
 OR { 3772}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 136  and name HB2 ))
 OR { 3772}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 136  and name HB3 ))
 OR { 3772}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 136  and name HB2 ))
 OR { 3772}
   (( segid "    " and resid 134  and name HB3 ))
   (( segid "    " and resid 136  and name HB2 ))
 ASSI { 3775}
   (  segid "    " and resid 105  and name HD1%)
   (  segid "    " and resid 77   and name HG1%)
      1.700     0.300     0.500 peak  3775 spectrum    1 weight  0.10000E+01 volume  0.41179E-01 ppm1      1.423 ppm2      1.659 CV     1
 OR { 3775}
   (( segid "    " and resid 91   and name HD3 ))
   (( segid "    " and resid 91   and name HG2 ))
 OR { 3775}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 91   and name HG3 ))
 OR { 3775}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HG3 ))
 OR { 3775}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HG2 ))
 OR { 3775}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HG2 ))
 OR { 3775}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HG3 ))
 OR { 3775}
   (( segid "    " and resid 67   and name HD3 ))
   (( segid "    " and resid 67   and name HG2 ))
 OR { 3775}
   (( segid "    " and resid 67   and name HD3 ))
   (( segid "    " and resid 67   and name HG3 ))
 OR { 3775}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HG3 ))
 OR { 3775}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HG2 ))
 OR { 3775}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 91   and name HG2 ))
 OR { 3775}
   (( segid "    " and resid 91   and name HD3 ))
   (( segid "    " and resid 91   and name HG3 ))
 ASSI { 3776}
   (( segid "    " and resid 91   and name HD3 ))
   (( segid "    " and resid 91   and name HB2 ))
      2.100     0.500     0.500 peak  3776 spectrum    1 weight  0.10000E+01 volume  0.14622E-01 ppm1      1.423 ppm2      1.774 CV     1
 OR { 3776}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 91   and name HB3 ))
 OR { 3776}
   (( segid "    " and resid 67   and name HD3 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 3776}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 91   and name HB2 ))
 OR { 3776}
   (( segid "    " and resid 91   and name HD3 ))
   (( segid "    " and resid 91   and name HB3 ))
 OR { 3776}
   (( segid "    " and resid 67   and name HD3 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR { 3776}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 3776}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HB3 ))
 ASSI { 3785}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 97   and name HB3 ))
      2.400     0.700     0.700 peak  3785 spectrum    1 weight  0.10000E+01 volume  0.40585E-02 ppm1      1.634 ppm2      1.837 CV     1
 OR { 3785}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 97   and name HB2 ))
 OR { 3785}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HB2 ))
 OR { 3785}
   (( segid "    " and resid 134  and name HG3 ))
   (( segid "    " and resid 134  and name HB3 ))
 OR { 3785}
   (( segid "    " and resid 134  and name HG3 ))
   (( segid "    " and resid 134  and name HB2 ))
 OR { 3785}
   (( segid "    " and resid 97   and name HG2 ))
   (( segid "    " and resid 97   and name HB2 ))
 ASSI { 3786}
   (( segid "    " and resid 134  and name HG3 ))
   (( segid "    " and resid 134  and name HD3 ))
      1.700     0.400     0.500 peak  3786 spectrum    1 weight  0.10000E+01 volume  0.39759E-01 ppm1      1.636 ppm2      1.407 CV     1
 OR { 3786}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 3786}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 3786}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD3 ))
 OR { 3786}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HD3 ))
 OR { 3786}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HD3 ))
 ASSI { 3802}
   (( segid "    " and resid 135  and name HG3 ))
   (( segid "    " and resid 135  and name HA  ))
      2.900     1.100     1.100 peak  3802 spectrum    1 weight  0.10000E+01 volume  0.31978E-02 ppm1      2.236 ppm2      4.188 CV     1
 OR { 3802}
   (( segid "    " and resid 135  and name HG2 ))
   (( segid "    " and resid 135  and name HA  ))
 OR { 3802}
   (( segid "    " and resid 115  and name HG2 ))
   (( segid "    " and resid 112  and name HA  ))
 OR { 3802}
   (( segid "    " and resid 115  and name HG3 ))
   (( segid "    " and resid 112  and name HA  ))
 ASSI { 3819}
   (  segid "    " and resid 137  and name HG2%)
   (( segid "    " and resid 137  and name HB  ))
      2.400     0.700     0.700 peak  3819 spectrum    1 weight  0.10000E+01 volume  0.54407E-02 ppm1      0.911 ppm2      2.081 CV     1
 OR { 3819}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 34   and name HB  ))
 ASSI { 3822}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.100     1.100 peak  3822 spectrum    1 weight  0.10000E+01 volume  0.32319E-02 ppm1      0.913 ppm2      7.940 CV     1
 OR { 3822}
   (  segid "    " and resid 137  and name HG2%)
   (( segid "    " and resid 137  and name HN  ))
 ASSI { 3826}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HD3 ))
      1.600     0.300     0.600 peak  3826 spectrum    1 weight  0.10000E+01 volume  0.52003E-01 ppm1      1.647 ppm2      1.401 CV     1
 OR { 3826}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 91   and name HD2 ))
 OR { 3826}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 3826}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 3826}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD3 ))
 OR { 3826}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HD3 ))
 OR { 3826}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HD2 ))
 OR { 3826}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 91   and name HD3 ))
 OR { 3826}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HD3 ))
 ASSI { 3828}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 97   and name HB3 ))
      2.100     0.500     0.500 peak  3828 spectrum    1 weight  0.10000E+01 volume  0.12085E-01 ppm1      1.650 ppm2      1.789 CV     1
 OR { 3828}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR { 3828}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 91   and name HB3 ))
 OR { 3828}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 3828}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HB2 ))
 OR { 3828}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 97   and name HB2 ))
 OR { 3828}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HB2 ))
 OR { 3828}
   (( segid "    " and resid 134  and name HG3 ))
   (( segid "    " and resid 134  and name HB2 ))
 OR { 3828}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 91   and name HB2 ))
 OR { 3828}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HB3 ))
 OR { 3828}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 3828}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB3 ))
 ASSI { 3829}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HE3 ))
      2.200     0.600     0.600 peak  3829 spectrum    1 weight  0.10000E+01 volume  0.11935E-01 ppm1      1.650 ppm2      2.966 CV     1
 OR { 3829}
   (( segid "    " and resid 97   and name HG2 ))
   (( segid "    " and resid 97   and name HE3 ))
 OR { 3829}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 91   and name HE2 ))
 OR { 3829}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 91   and name HE3 ))
 OR { 3829}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HE2 ))
 OR { 3829}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HE3 ))
 OR { 3829}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HE2 ))
 OR { 3829}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HE3 ))
 OR { 3829}
   (( segid "    " and resid 97   and name HG2 ))
   (( segid "    " and resid 97   and name HE2 ))
 OR { 3829}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HE3 ))
 OR { 3829}
   (( segid "    " and resid 134  and name HG3 ))
   (( segid "    " and resid 134  and name HE2 ))
 OR { 3829}
   (( segid "    " and resid 134  and name HG3 ))
   (( segid "    " and resid 134  and name HE3 ))
 OR { 3829}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HE2 ))
 OR { 3829}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 97   and name HE2 ))
 OR { 3829}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HE3 ))
 ASSI { 3832}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 50   and name HG2 ))
      3.800     1.900     1.900 peak  3832 spectrum    1 weight  0.10000E+01 volume  0.96350E-03 ppm1      2.063 ppm2      1.735 CV     1
 OR { 3832}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 50   and name HG3 ))
 OR { 3832}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 130  and name HB3 ))
 ASSI { 3833}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 49   and name HG  ))
      3.100     1.200     1.200 peak  3833 spectrum    1 weight  0.10000E+01 volume  0.17237E-02 ppm1      2.065 ppm2      1.668 CV     1
 OR { 3833}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 42   and name HG3 ))
 ASSI { 3835}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 50   and name HD3 ))
      3.100     1.200     1.200 peak  3835 spectrum    1 weight  0.10000E+01 volume  0.31614E-02 ppm1      2.065 ppm2      1.469 CV     1
 OR { 3835}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 50   and name HD2 ))
 OR { 3835}
   (  segid "    " and resid 45   and name HE% )
   (  segid "    " and resid 48   and name HB% )
 ASSI { 3838}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 124  and name HG13))
      2.200     0.600     0.600 peak  3838 spectrum    1 weight  0.10000E+01 volume  0.68435E-02 ppm1      2.065 ppm2      0.886 CV     1
 OR { 3838}
   (  segid "    " and resid 45   and name HE% )
   (  segid "    " and resid 49   and name HD1%)
 OR { 3838}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 124  and name HG12))
 ASSI { 3842}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.400     1.400 peak  3842 spectrum    1 weight  0.10000E+01 volume  0.20046E-02 ppm1      2.067 ppm2      4.168 CV     1
 OR { 3842}
   (  segid "    " and resid 44   and name HE% )
   (( segid "    " and resid 43   and name HA  ))
 OR { 3842}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 3845}
   (  segid "    " and resid 44   and name HE% )
   (( segid "    " and resid 44   and name HA  ))
      3.100     1.200     1.200 peak  3845 spectrum    1 weight  0.10000E+01 volume  0.18514E-02 ppm1      2.067 ppm2      4.385 CV     1
 OR { 3845}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 3846}
   (  segid "    " and resid 45   and name HE% )
   (  segid "    " and resid 120  and name HD% )
      3.900     1.900     1.900 peak  3846 spectrum    1 weight  0.10000E+01 volume  0.10196E-02 ppm1      2.067 ppm2      7.284 CV     1
 OR { 3846}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 88   and name HZ  ))
 OR { 3846}
   (  segid "    " and resid 45   and name HE% )
   (  segid "    " and resid 88   and name HE% )
 OR { 3846}
   (  segid "    " and resid 45   and name HE% )
   (( segid "    " and resid 120  and name HZ  ))
 ASSI {    2}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 137  and name HB  ))
      3.700     1.700     1.700 peak     2 spectrum    1 weight  0.10000E+01 volume  0.13843E-02 ppm1      7.397 ppm2      2.075 CV     1
 OR {    2}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 131  and name HB  ))
 OR {    2}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI {    7}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
      4.100     2.100     1.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.68533E-03 ppm1      7.394 ppm2      2.219 CV     1
 OR {    7}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 100  and name HG3 ))
 OR {    7}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 135  and name HG2 ))
 ASSI {    9}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.900     1.900     1.900 peak     9 spectrum    1 weight  0.10000E+01 volume  0.62898E-03 ppm1      8.276 ppm2      8.420 CV     1
 OR {    9}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
 ASSI {   11}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 48   and name HB% )
      5.300     3.500     0.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.20933E-03 ppm1      8.276 ppm2      1.474 CV     1
 OR {   11}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {   11}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HD2 ))
 ASSI {   14}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
      4.400     2.400     1.600 peak    14 spectrum    1 weight  0.10000E+01 volume  0.23078E-03 ppm1      8.275 ppm2      0.328 CV     1
 OR {   14}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
 OR {   14}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 116  and name HD1%)
 ASSI {  107}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      4.900     3.000     1.100 peak   107 spectrum    1 weight  0.10000E+01 volume  0.10265E-03 ppm1      8.357 ppm2      3.891 CV     1
 OR {  107}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  107}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  113}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      4.700     2.800     1.300 peak   113 spectrum    1 weight  0.10000E+01 volume  0.41892E-03 ppm1      8.307 ppm2      4.428 CV     1
 OR {  113}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  142}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.900     1.900     1.900 peak   142 spectrum    1 weight  0.10000E+01 volume  0.56895E-03 ppm1      8.233 ppm2      4.175 CV     1
 OR {  142}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  144}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      5.300     3.500     0.700 peak   144 spectrum    1 weight  0.10000E+01 volume  0.13379E-03 ppm1      8.232 ppm2      1.828 CV     1
 OR {  144}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 124  and name HB  ))
 ASSI {  176}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
      6.000     5.500     0.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.12076E-03 ppm1      8.103 ppm2      0.891 CV     1
 OR {  176}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HD2%)
 OR {  176}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 124  and name HG12))
 ASSI {  181}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.600     1.600     1.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.66649E-03 ppm1      8.097 ppm2      4.378 CV     1
 OR {  181}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  197}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 53   and name HE% )
      6.000     5.300     0.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.12656E-03 ppm1      8.035 ppm2      7.126 CV     1
 OR {  197}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 83   and name HH2 ))
 ASSI {  208}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      5.200     3.400     0.800 peak   208 spectrum    1 weight  0.10000E+01 volume  0.23518E-03 ppm1      7.991 ppm2      0.994 CV     1
 OR {  208}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 131  and name HD1%)
 ASSI {  209}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      5.600     3.900     0.400 peak   209 spectrum    1 weight  0.10000E+01 volume  0.14658E-03 ppm1      7.989 ppm2      2.128 CV     1
 OR {  209}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  209}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
 ASSI {  210}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      3.800     1.800     1.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.83325E-03 ppm1      7.994 ppm2      4.355 CV     1
 OR {  210}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  222}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      4.500     2.600     1.500 peak   222 spectrum    1 weight  0.10000E+01 volume  0.41488E-03 ppm1      8.045 ppm2      4.171 CV     1
 OR {  222}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  222}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  267}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 51   and name HB% )
      4.100     2.100     1.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.97426E-04 ppm1      8.203 ppm2      1.461 CV     1
 OR {  267}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 48   and name HB% )
 ASSI {  299}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      4.600     2.600     1.400 peak   299 spectrum    1 weight  0.10000E+01 volume  0.39761E-03 ppm1      7.853 ppm2      4.096 CV     1
 OR {  299}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  319}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      5.500     3.800     0.500 peak   319 spectrum    1 weight  0.10000E+01 volume  0.26379E-03 ppm1      7.615 ppm2      1.735 CV     1
 OR {  319}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HG2 ))
 OR {  319}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  359}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 128  and name HE1 ))
      6.000     4.900     0.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.13187E-03 ppm1      6.966 ppm2      6.764 CV     1
 OR {  359}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 61   and name HE22))
 ASSI {  450}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      3.700     3.700     2.300 peak   450 spectrum    1 weight  0.10000E+01 volume  0.13259E-03 ppm1      7.367 ppm2      4.189 CV     1
 OR {  450}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
 ASSI {  488}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      4.100     2.100     1.900 peak   488 spectrum    1 weight  0.10000E+01 volume  0.12653E-02 ppm1      7.880 ppm2      1.543 CV     1
 OR {  488}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HG  ))
 OR {  488}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  488}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  489}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 65   and name HB  ))
      6.000     4.800     0.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.10571E-03 ppm1      7.878 ppm2      1.252 CV     1
 OR {  489}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
 ASSI {  592}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 115  and name HB3 ))
      4.900     3.000     1.100 peak   592 spectrum    1 weight  0.10000E+01 volume  0.41783E-03 ppm1      8.393 ppm2      2.031 CV     1
 OR {  592}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 100  and name HE% )
 OR {  592}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
 ASSI {  613}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 60   and name HE21))
      4.400     2.500     1.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.26350E-03 ppm1      7.468 ppm2      6.947 CV     1
 OR {  613}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 72   and name HZ2 ))
 ASSI {  640}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      5.100     3.200     0.900 peak   640 spectrum    1 weight  0.10000E+01 volume  0.41387E-03 ppm1      7.970 ppm2      3.894 CV     1
 OR {  640}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
 ASSI {  674}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HG  ))
      4.800     2.800     1.200 peak   674 spectrum    1 weight  0.10000E+01 volume  0.76154E-03 ppm1      8.138 ppm2      1.628 CV     1
 OR {  674}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
 ASSI {  676}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      5.500     3.800     0.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.13898E-03 ppm1      8.139 ppm2      8.350 CV     1
 OR {  676}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
 OR {  676}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI {  677}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      5.500     3.700     0.500 peak   677 spectrum    1 weight  0.10000E+01 volume  0.30931E-03 ppm1      8.140 ppm2      8.261 CV     1
 OR {  677}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  721}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      4.500     2.500     1.500 peak   721 spectrum    1 weight  0.10000E+01 volume  0.63251E-03 ppm1      7.630 ppm2      1.804 CV     1
 OR {  721}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HB3 ))
 OR {  721}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
 OR {  721}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 105  and name HB3 ))
 OR {  721}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
 ASSI {  722}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 106  and name HB3 ))
      5.700     4.100     0.300 peak   722 spectrum    1 weight  0.10000E+01 volume  0.17473E-03 ppm1      7.628 ppm2      2.694 CV     1
 OR {  722}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
 OR {  722}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
 OR {  722}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 77   and name HB  ))
 OR {  722}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 66   and name HD3 ))
 ASSI {  749}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 60   and name HB2 ))
      5.900     4.300     0.100 peak   749 spectrum    1 weight  0.10000E+01 volume  0.15528E-03 ppm1      9.952 ppm2      1.559 CV     1
 OR {  749}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 63   and name HB3 ))
 ASSI {  803}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      5.800     4.200     0.200 peak   803 spectrum    1 weight  0.10000E+01 volume  0.12915E-03 ppm1      9.483 ppm2      8.442 CV     1
 OR {  803}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
 ASSI {  840}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HB  ))
      4.700     2.800     1.300 peak   840 spectrum    1 weight  0.10000E+01 volume  0.47962E-03 ppm1      7.029 ppm2      2.693 CV     1
 OR {  840}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI {  863}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 72   and name HE3 ))
      4.500     2.500     1.500 peak   863 spectrum    1 weight  0.10000E+01 volume  0.75273E-03 ppm1      8.276 ppm2      7.253 CV     1
 OR {  863}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 88   and name HZ  ))
 OR {  863}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HD2 ))
 ASSI {  888}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.800     1.800     1.800 peak   888 spectrum    1 weight  0.10000E+01 volume  0.86767E-03 ppm1      7.833 ppm2      4.435 CV     1
 OR {  888}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI {  889}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 72   and name HE3 ))
      5.900     4.300     0.100 peak   889 spectrum    1 weight  0.10000E+01 volume  0.23820E-03 ppm1      7.834 ppm2      7.288 CV     1
 OR {  889}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 95   and name HD% )
 ASSI {  919}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HD2 ))
      5.800     4.300     0.200 peak   919 spectrum    1 weight  0.10000E+01 volume  0.15385E-03 ppm1      8.443 ppm2      7.255 CV     1
 OR {  919}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 72   and name HE3 ))
 ASSI {  949}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      4.100     2.200     1.900 peak   949 spectrum    1 weight  0.10000E+01 volume  0.84894E-03 ppm1      8.489 ppm2      2.678 CV     1
 OR {  949}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HB  ))
 ASSI {  983}
   (( segid "    " and resid 80   and name HE1 ))
   (  segid "    " and resid 84   and name HB% )
      4.600     2.600     1.400 peak   983 spectrum    1 weight  0.10000E+01 volume  0.44791E-03 ppm1     11.693 ppm2      1.186 CV     1
 OR {  983}
   (( segid "    " and resid 80   and name HE1 ))
   (( segid "    " and resid 129  and name HG  ))
 ASSI {  984}
   (( segid "    " and resid 80   and name HE1 ))
   (( segid "    " and resid 132  and name HB3 ))
      6.000     5.600     0.000 peak   984 spectrum    1 weight  0.10000E+01 volume  0.11874E-03 ppm1     11.693 ppm2      0.998 CV     1
 OR {  984}
   (( segid "    " and resid 80   and name HE1 ))
   (  segid "    " and resid 131  and name HG2%)
 OR {  984}
   (( segid "    " and resid 80   and name HE1 ))
   (( segid "    " and resid 132  and name HB2 ))
 ASSI {  985}
   (( segid "    " and resid 80   and name HE1 ))
   (  segid "    " and resid 132  and name HD2%)
      5.200     3.400     0.800 peak   985 spectrum    1 weight  0.10000E+01 volume  0.14520E-03 ppm1     11.699 ppm2      0.890 CV     1
 OR {  985}
   (( segid "    " and resid 80   and name HE1 ))
   (( segid "    " and resid 129  and name HB2 ))
 OR {  985}
   (( segid "    " and resid 80   and name HE1 ))
   (  segid "    " and resid 49   and name HD2%)
 ASSI { 1002}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      5.400     3.700     0.600 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.28929E-03 ppm1      8.691 ppm2      1.186 CV     1
 OR { 1002}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 117  and name HB% )
 ASSI { 1004}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      5.100     3.300     0.900 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.33419E-03 ppm1      8.690 ppm2      2.109 CV     1
 OR { 1004}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 OR { 1004}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
 OR { 1004}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB3 ))
 ASSI { 1010}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 72   and name HE3 ))
      5.400     3.700     0.600 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.32162E-03 ppm1      8.690 ppm2      7.287 CV     1
 OR { 1010}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 95   and name HD% )
 OR { 1010}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 95   and name HE% )
 ASSI { 1011}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 98   and name HE% )
      6.000     5.600     0.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.10688E-03 ppm1      8.692 ppm2      6.974 CV     1
 OR { 1011}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HE  ))
 ASSI { 1033}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      5.100     3.200     0.900 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.33522E-03 ppm1      8.856 ppm2      3.517 CV     1
 OR { 1033}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
 OR { 1033}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI { 1035}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HE3 ))
      6.000     4.600     0.000 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.15278E-03 ppm1      8.865 ppm2      8.047 CV     1
 OR { 1035}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI { 1036}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.900     1.100     1.100 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.17666E-02 ppm1      8.864 ppm2      8.464 CV     1
 OR { 1036}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1057}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 132  and name HD2%)
      6.000     4.800     0.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.11767E-03 ppm1      8.164 ppm2      0.880 CV     1
 OR { 1057}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 49   and name HD2%)
 OR { 1057}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
 ASSI { 1063}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 56   and name HE% )
      5.300     3.500     0.700 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.20490E-03 ppm1      8.168 ppm2      7.070 CV     1
 OR { 1063}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HZ3 ))
 ASSI { 1086}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 59   and name HG2 ))
      3.000     3.000     3.000 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.10951E-02 ppm1     10.271 ppm2      2.308 CV     1
 OR { 1086}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 82   and name HG3 ))
 OR { 1086}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 85   and name HB  ))
 ASSI { 1109}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.100     1.200     1.200 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.14335E-02 ppm1      8.461 ppm2      4.145 CV     1
 OR { 1109}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI { 1111}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      5.700     4.100     0.300 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.16939E-03 ppm1      8.456 ppm2      1.848 CV     1
 OR { 1111}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 56   and name HB3 ))
 OR { 1111}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 97   and name HB3 ))
 OR { 1111}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
 ASSI { 1112}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 85   and name HG2%)
      4.500     2.500     1.500 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.68438E-03 ppm1      8.460 ppm2      1.043 CV     1
 OR { 1112}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
 OR { 1112}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 85   and name HG1%)
 ASSI { 1115}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      5.500     3.800     0.500 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.18035E-03 ppm1      8.456 ppm2      0.544 CV     1
 OR { 1115}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 116  and name HD2%)
 ASSI { 1118}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 86   and name HD21))
      4.400     2.400     1.600 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.33796E-03 ppm1      8.459 ppm2      7.732 CV     1
 OR { 1118}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HE21))
 ASSI { 1135}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      4.000     2.000     2.000 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.98429E-03 ppm1      8.835 ppm2      1.809 CV     1
 OR { 1135}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HE% )
 OR { 1135}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 90   and name HG  ))
 ASSI { 1137}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 49   and name HD2%)
      5.600     3.900     0.400 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.30834E-03 ppm1      8.833 ppm2      0.903 CV     1
 OR { 1137}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 90   and name HD2%)
 OR { 1137}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
 ASSI { 1138}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 121  and name HG1%)
      5.800     4.100     0.200 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.19727E-03 ppm1      8.834 ppm2      0.851 CV     1
 OR { 1138}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 49   and name HD2%)
 ASSI { 1142}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.900     1.000     1.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.29002E-02 ppm1      8.832 ppm2      4.075 CV     1
 OR { 1142}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 1143}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.300     2.300     1.700 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.54673E-03 ppm1      8.835 ppm2      4.437 CV     1
 OR { 1143}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 1165}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
      5.700     4.100     0.300 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.12460E-03 ppm1      7.538 ppm2      0.356 CV     1
 OR { 1165}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
 ASSI { 1324}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 117  and name HB% )
      6.000     4.600     0.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.13475E-03 ppm1      8.562 ppm2      1.204 CV     1
 OR { 1324}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 84   and name HB% )
 ASSI { 1325}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      5.400     3.600     0.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.21943E-03 ppm1      8.560 ppm2      3.383 CV     1
 OR { 1325}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 120  and name HB3 ))
 ASSI { 1326}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      2.400     0.700     0.700 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.90320E-02 ppm1      8.558 ppm2      4.405 CV     1
 OR { 1326}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 1358}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      5.000     3.100     1.000 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.29070E-03 ppm1      8.084 ppm2      2.030 CV     1
 OR { 1358}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 118  and name HG3 ))
 OR { 1358}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 121  and name HB  ))
 ASSI { 1376}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 118  and name HG3 ))
      6.000     4.600     0.000 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.13273E-03 ppm1      8.978 ppm2      2.047 CV     1
 OR { 1376}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
 OR { 1376}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 121  and name HB  ))
 OR { 1376}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 100  and name HE% )
 ASSI { 1398}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 88   and name HD% )
      5.100     3.300     0.900 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.28086E-03 ppm1      8.492 ppm2      7.195 CV     1
 OR { 1398}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
 ASSI { 1453}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 93   and name HG1%)
      5.300     3.500     0.700 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.28048E-03 ppm1      7.537 ppm2      0.282 CV     1
 OR { 1453}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 116  and name HD1%)
 ASSI { 1546}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 77   and name HB  ))
      3.800     1.800     1.800 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.92513E-03 ppm1      8.437 ppm2      2.676 CV     1
 OR { 1546}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 OR { 1546}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI { 1589}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 104  and name HB% )
      4.100     2.100     1.900 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.69273E-03 ppm1      8.844 ppm2      1.474 CV     1
 OR { 1589}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 103  and name HB% )
 ASSI { 1616}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      4.800     2.900     1.200 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.32661E-03 ppm1      8.427 ppm2      1.784 CV     1
 OR { 1616}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 105  and name HB3 ))
 OR { 1616}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
 ASSI { 1617}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 114  and name HG  ))
      5.500     3.800     0.500 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.11761E-03 ppm1      8.427 ppm2      1.920 CV     1
 OR { 1617}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 111  and name HB3 ))
 ASSI { 1632}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HB3 ))
      4.800     2.900     1.200 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.47675E-03 ppm1      7.608 ppm2      1.777 CV     1
 OR { 1632}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
 OR { 1632}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 105  and name HB3 ))
 OR { 1632}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
 ASSI { 1633}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 105  and name HG  ))
      6.000     5.100     0.000 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.13615E-03 ppm1      7.603 ppm2      1.903 CV     1
 OR { 1633}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HG  ))
 ASSI { 1634}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 100  and name HB3 ))
      4.400     2.400     1.600 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.61774E-03 ppm1      7.604 ppm2      2.079 CV     1
 OR { 1634}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
 OR { 1634}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
 ASSI { 1635}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      5.300     3.500     0.700 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.35458E-03 ppm1      7.606 ppm2      4.306 CV     1
 OR { 1635}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
 ASSI { 1658}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HB3 ))
      5.200     3.300     0.800 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.29116E-03 ppm1      8.315 ppm2      2.671 CV     1
 OR { 1658}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 77   and name HB  ))
 OR { 1658}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI { 1683}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 107  and name HB% )
      3.800     1.800     1.800 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.16884E-02 ppm1      8.234 ppm2      1.489 CV     1
 OR { 1683}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 104  and name HB% )
 ASSI { 1725}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      3.700     1.700     1.700 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.12021E-02 ppm1      7.356 ppm2      3.971 CV     1
 OR { 1725}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
 OR { 1725}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HA1 ))
 OR { 1725}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HA2 ))
 ASSI { 1740}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 126  and name HH2 ))
      4.300     2.300     1.700 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.85523E-03 ppm1      7.848 ppm2      7.129 CV     1
 OR { 1740}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 80   and name HH2 ))
 ASSI { 1763}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      5.700     4.100     0.300 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.20326E-03 ppm1      8.106 ppm2      3.742 CV     1
 OR { 1763}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
 ASSI { 1765}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HB3 ))
      5.300     3.600     0.700 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.25266E-03 ppm1      8.106 ppm2      1.965 CV     1
 OR { 1765}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 114  and name HG  ))
 OR { 1765}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
 ASSI { 1782}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.700     0.000 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.13153E-03 ppm1      8.427 ppm2      1.509 CV     1
 OR { 1782}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
 OR { 1782}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 114  and name HB3 ))
 ASSI { 1806}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      2.200     0.600     0.600 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.97337E-02 ppm1      7.896 ppm2      8.427 CV     1
 OR { 1806}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
 ASSI { 1830}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 85   and name HB  ))
      5.500     3.800     0.500 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.20208E-03 ppm1      8.423 ppm2      2.297 CV     1
 OR { 1830}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 108  and name HG  ))
 OR { 1830}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
 ASSI { 1831}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
      5.200     3.400     0.800 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.27828E-03 ppm1      8.423 ppm2      1.584 CV     1
 OR { 1831}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 116  and name HG  ))
 ASSI { 1832}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      3.900     1.900     1.900 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.66256E-03 ppm1      8.425 ppm2      1.796 CV     1
 OR { 1832}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 1832}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB3 ))
 ASSI { 1833}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 108  and name HD1%)
      3.500     1.500     1.500 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.83683E-03 ppm1      8.425 ppm2      1.055 CV     1
 OR { 1833}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI { 1834}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 108  and name HD2%)
      4.500     2.600     1.500 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.57020E-03 ppm1      8.422 ppm2      0.865 CV     1
 OR { 1834}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 114  and name HD2%)
 ASSI { 1835}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 116  and name HD1%)
      5.200     3.400     0.800 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.22878E-03 ppm1      8.425 ppm2      0.294 CV     1
 OR { 1835}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 65   and name HG2%)
 ASSI { 1836}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 110  and name HG3 ))
      5.900     4.400     0.100 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.11155E-03 ppm1      8.423 ppm2     -0.282 CV     1
 OR { 1836}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
 OR { 1836}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
 OR { 1836}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
 ASSI { 1837}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.300     1.300     1.300 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.12011E-02 ppm1      8.423 ppm2      3.876 CV     1
 OR { 1837}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
 ASSI { 1915}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 85   and name HG2%)
      5.300     3.600     0.700 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.17519E-03 ppm1      7.680 ppm2      1.055 CV     1
 OR { 1915}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 108  and name HD1%)
 ASSI { 1916}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      4.400     2.400     1.600 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.66885E-03 ppm1      7.682 ppm2      1.183 CV     1
 OR { 1916}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 117  and name HB% )
 ASSI { 1939}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 121  and name HB  ))
      4.300     2.300     1.700 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.51849E-03 ppm1      7.167 ppm2      2.042 CV     1
 OR { 1939}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG3 ))
 OR { 1939}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 1967}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 121  and name HG1%)
      5.800     4.200     0.200 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.30338E-03 ppm1      8.586 ppm2      0.849 CV     1
 OR { 1967}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 121  and name HG1%)
 ASSI { 1998}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 90   and name HD2%)
      5.200     3.400     0.800 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.28793E-03 ppm1      8.181 ppm2      0.903 CV     1
 OR { 1998}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 124  and name HG13))
 ASSI { 2004}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 125  and name HB3 ))
      5.000     3.100     1.000 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.29866E-03 ppm1      8.181 ppm2      2.130 CV     1
 OR { 2004}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
 OR { 2004}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
 ASSI { 2027}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      4.800     2.800     1.200 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.48141E-03 ppm1      7.941 ppm2      0.564 CV     1
 OR { 2027}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
 OR { 2027}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 124  and name HD1%)
 ASSI { 2054}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 124  and name HD1%)
      5.400     3.700     0.600 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.34593E-03 ppm1      8.027 ppm2      0.577 CV     1
 OR { 2054}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 124  and name HG2%)
 OR { 2054}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 124  and name HG2%)
 ASSI { 2059}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      4.700     2.800     1.300 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.37347E-03 ppm1      8.027 ppm2      3.936 CV     1
 OR { 2059}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR { 2059}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
 ASSI { 2060}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HZ  ))
      5.300     3.500     0.700 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.22607E-03 ppm1      8.026 ppm2      7.309 CV     1
 OR { 2060}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 113  and name HD% )
 OR { 2060}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 88   and name HZ  ))
 OR { 2060}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 120  and name HD% )
 ASSI { 2062}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
      4.300     2.300     1.700 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.28923E-03 ppm1      8.025 ppm2      8.213 CV     1
 OR { 2062}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 2082}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      5.600     4.000     0.400 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.17011E-03 ppm1      7.453 ppm2      2.144 CV     1
 OR { 2082}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
 OR { 2082}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2084}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
      6.000     5.200     0.000 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.12371E-03 ppm1      7.450 ppm2      2.546 CV     1
 OR { 2084}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 127  and name HG3 ))
 OR { 2084}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
 OR { 2084}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI { 2087}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 126  and name HD1 ))
      5.400     3.600     0.600 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.26037E-03 ppm1      7.455 ppm2      7.127 CV     1
 OR { 2087}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 80   and name HH2 ))
 OR { 2087}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 53   and name HE% )
 ASSI { 2088}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 120  and name HD% )
      4.800     2.900     1.200 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.23813E-03 ppm1      7.455 ppm2      7.283 CV     1
 OR { 2088}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 113  and name HD% )
 OR { 2088}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 88   and name HE% )
 ASSI { 2110}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 113  and name HD% )
      4.800     2.800     1.200 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.22033E-03 ppm1      7.656 ppm2      7.307 CV     1
 OR { 2110}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 113  and name HD% )
 ASSI { 2112}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
      4.900     3.000     1.100 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.43854E-03 ppm1      7.652 ppm2      0.910 CV     1
 OR { 2112}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HG12))
 OR { 2112}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HG13))
 OR { 2112}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 49   and name HD2%)
 ASSI { 2132}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 114  and name HD2%)
      4.200     2.200     1.800 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.70633E-03 ppm1      8.904 ppm2      0.845 CV     1
 OR { 2132}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 129  and name HB3 ))
 ASSI { 2133}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      5.600     3.900     0.400 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.15003E-03 ppm1      8.905 ppm2      1.191 CV     1
 OR { 2133}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 129  and name HG  ))
 ASSI { 2158}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 110  and name HD3 ))
      2.600     2.600     3.400 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.19496E-02 ppm1      9.813 ppm2      1.231 CV     1
 OR { 2158}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 110  and name HD2 ))
 OR { 2158}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 129  and name HG  ))
 ASSI { 2164}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 130  and name HN  ))
      4.900     2.900     1.100 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.29725E-03 ppm1      9.813 ppm2      7.923 CV     1
 OR { 2164}
   (( segid "    " and resid 126  and name HE1 ))
   (( segid "    " and resid 127  and name HN  ))
 ASSI { 2181}
   (( segid "    " and resid 127  and name HN  ))
   (  segid "    " and resid 113  and name HD% )
      4.800     2.900     1.200 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.41238E-03 ppm1      7.942 ppm2      7.284 CV     1
 OR { 2181}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 53   and name HZ  ))
 OR { 2181}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 88   and name HE% )
 OR { 2181}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 95   and name HE% )
 ASSI { 2187}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 90   and name HD2%)
      4.200     2.200     1.800 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.52342E-03 ppm1      7.944 ppm2      0.874 CV     1
 OR { 2187}
   (( segid "    " and resid 127  and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
 ASSI { 2189}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 80   and name HZ2 ))
      4.700     2.800     1.300 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.38019E-03 ppm1      7.941 ppm2      7.773 CV     1
 OR { 2189}
   (( segid "    " and resid 127  and name HN  ))
   (  segid "    " and resid 113  and name HE% )
 ASSI { 2207}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HB3 ))
      3.100     1.200     1.200 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.87296E-03 ppm1      7.903 ppm2      0.881 CV     1
 OR { 2207}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
 OR { 2207}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 49   and name HD2%)
 OR { 2207}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HB2 ))
 ASSI { 2208}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 131  and name HD1%)
      4.600     2.700     1.400 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.41843E-03 ppm1      7.903 ppm2      0.987 CV     1
 OR { 2208}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 131  and name HD1%)
 OR { 2208}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 2209}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      4.600     2.700     1.400 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.67259E-03 ppm1      7.906 ppm2      1.258 CV     1
 OR { 2209}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
 OR { 2209}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 131  and name HG13))
 OR { 2209}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HG13))
 ASSI { 2212}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 53   and name HE% )
      4.000     2.000     2.000 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.82951E-03 ppm1      7.901 ppm2      7.143 CV     1
 OR { 2212}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 80   and name HH2 ))
 ASSI { 2213}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 80   and name HZ2 ))
      4.200     2.200     1.800 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.10720E-02 ppm1      7.901 ppm2      7.786 CV     1
 OR { 2213}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 80   and name HZ2 ))
 ASSI { 2235}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 131  and name HD1%)
      5.300     3.500     0.700 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.28422E-03 ppm1      8.072 ppm2      0.985 CV     1
 OR { 2235}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
 OR { 2235}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 132  and name HB2 ))
 ASSI { 2238}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 131  and name HB  ))
      4.600     2.700     1.400 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.20400E-03 ppm1      8.072 ppm2      2.130 CV     1
 OR { 2238}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 125  and name HB3 ))
 ASSI { 2239}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 53   and name HZ  ))
      5.600     3.900     0.400 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.16088E-03 ppm1      8.072 ppm2      7.287 CV     1
 OR { 2239}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 133  and name HN  ))
 OR { 2239}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 113  and name HD% )
 ASSI { 2265}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 131  and name HB  ))
      4.800     2.800     1.200 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.48120E-03 ppm1      7.928 ppm2      2.087 CV     1
 OR { 2265}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 45   and name HE% )
 ASSI { 2268}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      5.100     3.200     0.900 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.29368E-03 ppm1      7.930 ppm2      3.619 CV     1
 OR { 2268}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
 ASSI { 2270}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 53   and name HE% )
      4.600     2.700     1.400 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.36921E-03 ppm1      7.930 ppm2      7.123 CV     1
 OR { 2270}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 53   and name HD% )
 OR { 2270}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 80   and name HH2 ))
 ASSI { 2291}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HG3 ))
      4.100     2.100     1.900 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.92345E-03 ppm1      7.678 ppm2      1.446 CV     1
 OR { 2291}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 134  and name HD2 ))
 OR { 2291}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HG2 ))
 ASSI { 2320}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 134  and name HB2 ))
      3.800     1.800     1.800 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.12795E-02 ppm1      8.363 ppm2      1.795 CV     1
 OR { 2320}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HB3 ))
 OR { 2320}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HG2 ))
 OR { 2320}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HB2 ))
 OR { 2320}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 134  and name HB3 ))
 ASSI { 2325}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 53   and name HE% )
      3.700     1.700     1.700 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.12324E-03 ppm1      8.365 ppm2      7.112 CV     1
 OR { 2325}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 53   and name HD% )
 OR { 2325}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 126  and name HH2 ))
 ASSI { 2419}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 128  and name HE1 ))
      5.700     4.000     0.300 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.17760E-03 ppm1      7.398 ppm2      6.723 CV     1
 OR { 2419}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 61   and name HE22))
 ASSI { 2421}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 132  and name HN  ))
      3.800     1.800     1.800 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.62703E-03 ppm1      7.397 ppm2      8.344 CV     1
 OR { 2421}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
 OR { 2421}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 136  and name HN  ))
 ASSI { 2439}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.100     1.200     1.200 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.28246E-03 ppm1      7.972 ppm2      0.986 CV     1
 OR { 2439}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 132  and name HB2 ))
 ASSI { 2478}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 134  and name HB2 ))
      5.300     3.500     0.700 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.11137E-03 ppm1      7.943 ppm2      1.822 CV     1
 OR { 2478}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 133  and name HG3 ))
 OR { 2478}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 133  and name HG2 ))

REMARK * Ets1 (29-138) reassignment
REMARK * File created by: glee  3Apr2007
REMARK *
REMARK * file: etspnt_dih_040307-good.tbl
	
REMARK **************************
REMARK * GOOD TALOS ASSIGNMENTS *
REMARK * WEIGHT = 1.0           *
REMARK **************************
	
REMARK *******
REMARK * PHI *
REMARK *******

REMARK * TALOS PHI 32: 	-68.0 +/- 12.0
ASSIGN 	(resid 31 and name C)(resid 32 and name N)
	(resid 32 and name CA)(resid 32 and name C) 1.0  -68.0  25.0 2

REMARK * TALOS PHI 34: 	-91.0 +/- 22.0
ASSIGN 	(resid 33 and name C)(resid 34 and name N)
	(resid 34 and name CA)(resid 34 and name C) 1.0  -91.0  45.0 2

REMARK * TALOS PHI 35: 	-60.0 +/-  5.0
ASSIGN 	(resid 34 and name C)(resid 35 and name N)
	(resid 35 and name CA)(resid 35 and name C) 1.0  -60.0  10.0 2

REMARK * TALOS PHI 37: 	-107.0 +/- 32.0
ASSIGN 	(resid 36 and name C)(resid 37 and name N)
	(resid 37 and name CA)(resid 37 and name C) 1.0 -107.0  65.0 2

REMARK * TALOS PHI 38: 	-91.0 +/- 23.0
ASSIGN 	(resid 37 and name C)(resid 38 and name N)
	(resid 38 and name CA)(resid 38 and name C) 1.0  -91.0  50.0 2

REMARK * TALOS PHI 40: 	-83.0 +/- 24.0
ASSIGN 	(resid 39 and name C)(resid 40 and name N)
	(resid 40 and name CA)(resid 40 and name C) 1.0  -83.0  50.0 2

REMARK * TALOS PHI 41: 	-66.0 +/- 10.0
ASSIGN 	(resid 40 and name C)(resid 41 and name N)
	(resid 41 and name CA)(resid 41 and name C) 1.0  -66.0  20.0 2

REMARK * TALOS PHI 42: 	-65.0 +/-  9.0
ASSIGN 	(resid 41 and name C)(resid 42 and name N)
	(resid 42 and name CA)(resid 42 and name C) 1.0  -65.0  20.0 2

REMARK * TALOS PHI 43: 	-66.0 +/-  6.0
ASSIGN 	(resid 42 and name C)(resid 43 and name N)
	(resid 43 and name CA)(resid 43 and name C) 1.0  -66.0  15.0 2

REMARK * TALOS PHI 44: 	-64.0 +/-  6.0
ASSIGN 	(resid 43 and name C)(resid 44 and name N)
	(resid 44 and name CA)(resid 44 and name C) 1.0  -64.0  15.0 2

REMARK * TALOS PHI 45: 	-63.0 +/-  6.0
ASSIGN 	(resid 44 and name C)(resid 45 and name N)
	(resid 45 and name CA)(resid 45 and name C) 1.0  -63.0  15.0 2

REMARK * TALOS PHI 46: 	-64.0 +/-  7.0
ASSIGN 	(resid 45 and name C)(resid 46 and name N)
	(resid 46 and name CA)(resid 46 and name C) 1.0  -64.0  15.0 2

REMARK * TALOS PHI 47: 	-63.0 +/-  5.0
ASSIGN 	(resid 46 and name C)(resid 47 and name N)
	(resid 47 and name CA)(resid 47 and name C) 1.0  -63.0  10.0 2

REMARK * TALOS PHI 48: 	-66.0 +/-  7.0
ASSIGN 	(resid 47 and name C)(resid 48 and name N)
	(resid 48 and name CA)(resid 48 and name C) 1.0  -66.0  15.0 2

REMARK * TALOS PHI 49: 	-65.0 +/-  8.0
ASSIGN 	(resid 48 and name C)(resid 49 and name N)
	(resid 49 and name CA)(resid 49 and name C) 1.0  -65.0  20.0 2

REMARK * TALOS PHI 50: 	-65.0 +/-  7.0
ASSIGN 	(resid 49 and name C)(resid 50 and name N)
	(resid 50 and name CA)(resid 50 and name C) 1.0  -65.0  15.0 2

REMARK * TALOS PHI 51: 	-65.0 +/-  5.0
ASSIGN 	(resid 50 and name C)(resid 51 and name N)
	(resid 51 and name CA)(resid 51 and name C) 1.0  -65.0  10.0 2

REMARK * TALOS PHI 52: 	-68.0 +/- 15.0
ASSIGN 	(resid 51 and name C)(resid 52 and name N)
	(resid 52 and name CA)(resid 52 and name C) 1.0  -68.0  30.0 2

REMARK * TALOS PHI 53: 	-78.0 +/- 16.0
ASSIGN 	(resid 52 and name C)(resid 53 and name N)
	(resid 53 and name CA)(resid 53 and name C) 1.0  -78.0  35.0 2

REMARK * TALOS PHI 54: 	-67.0 +/-  9.0
ASSIGN 	(resid 53 and name C)(resid 54 and name N)
	(resid 54 and name CA)(resid 54 and name C) 1.0  -67.0  20.0 2

REMARK * TALOS PHI 55: 	-66.0 +/-  8.0
ASSIGN 	(resid 54 and name C)(resid 55 and name N)
	(resid 55 and name CA)(resid 55 and name C) 1.0  -66.0  20.0 2

REMARK * TALOS PHI 56: 	-61.0 +/- 10.0
ASSIGN 	(resid 55 and name C)(resid 56 and name N)
	(resid 56 and name CA)(resid 56 and name C) 1.0  -61.0  20.0 2

REMARK * TALOS PHI 57: 	-64.0 +/-  8.0
ASSIGN 	(resid 56 and name C)(resid 57 and name N)
	(resid 57 and name CA)(resid 57 and name C) 1.0  -64.0  20.0 2

REMARK * TALOS PHI 58: 	-62.0 +/-  7.0
ASSIGN 	(resid 57 and name C)(resid 58 and name N)
	(resid 58 and name CA)(resid 58 and name C) 1.0  -62.0  15.0 2

REMARK * TALOS PHI 59: 	-67.0 +/-  6.0
ASSIGN 	(resid 58 and name C)(resid 59 and name N)
	(resid 59 and name CA)(resid 59 and name C) 1.0  -67.0  15.0 2

REMARK * TALOS PHI 60: 	-59.0 +/-  5.0
ASSIGN 	(resid 59 and name C)(resid 60 and name N)
	(resid 60 and name CA)(resid 60 and name C) 1.0  -59.0  10.0 2

REMARK * TALOS PHI 61: 	-63.0 +/-  5.0
ASSIGN 	(resid 60 and name C)(resid 61 and name N)
	(resid 61 and name CA)(resid 61 and name C) 1.0  -63.0  10.0 2

REMARK * TALOS PHI 62: 	-65.0 +/-  6.0
ASSIGN 	(resid 61 and name C)(resid 62 and name N)
	(resid 62 and name CA)(resid 62 and name C) 1.0  -65.0  15.0 2

REMARK * TALOS PHI 63: 	-94.0 +/- 16.0
ASSIGN 	(resid 62 and name C)(resid 63 and name N)
	(resid 63 and name CA)(resid 63 and name C) 1.0  -94.0  35.0 2

REMARK * TALOS PHI 65: 	-91.0 +/- 27.0
ASSIGN 	(resid 64 and name C)(resid 65 and name N)
	(resid 65 and name CA)(resid 65 and name C) 1.0  -91.0  55.0 2

REMARK * TALOS PHI 66: 	-59.0 +/-  4.0
ASSIGN 	(resid 65 and name C)(resid 66 and name N)
	(resid 66 and name CA)(resid 66 and name C) 1.0  -59.0  10.0 2

REMARK * TALOS PHI 70: 	-71.0 +/- 12.0
ASSIGN 	(resid 69 and name C)(resid 70 and name N)
	(resid 70 and name CA)(resid 70 and name C) 1.0  -71.0  25.0 2

REMARK * TALOS PHI 72: 	-116.0 +/- 13.0
ASSIGN 	(resid 71 and name C)(resid 72 and name N)
	(resid 72 and name CA)(resid 72 and name C) 1.0 -116.0  30.0 2

REMARK * TALOS PHI 73: 	-102.0 +/- 24.0
ASSIGN 	(resid 72 and name C)(resid 73 and name N)
	(resid 73 and name CA)(resid 73 and name C) 1.0 -102.0  50.0 2

REMARK * TALOS PHI 74: 	-65.0 +/-  9.0
ASSIGN 	(resid 73 and name C)(resid 74 and name N)
	(resid 74 and name CA)(resid 74 and name C) 1.0  -65.0  20.0 2

REMARK * TALOS PHI 75: 	-66.0 +/-  4.0
ASSIGN 	(resid 74 and name C)(resid 75 and name N)
	(resid 75 and name CA)(resid 75 and name C) 1.0  -66.0  10.0 2

REMARK * TALOS PHI 76: 	-61.0 +/-  5.0
ASSIGN 	(resid 75 and name C)(resid 76 and name N)
	(resid 76 and name CA)(resid 76 and name C) 1.0  -61.0  10.0 2

REMARK * TALOS PHI 77: 	-63.0 +/-  5.0
ASSIGN 	(resid 76 and name C)(resid 77 and name N)
	(resid 77 and name CA)(resid 77 and name C) 1.0  -63.0  10.0 2

REMARK * TALOS PHI 78: 	-63.0 +/-  5.0
ASSIGN 	(resid 77 and name C)(resid 78 and name N)
	(resid 78 and name CA)(resid 78 and name C) 1.0  -63.0  10.0 2

REMARK * TALOS PHI 79: 	-69.0 +/- 10.0
ASSIGN 	(resid 78 and name C)(resid 79 and name N)
	(resid 79 and name CA)(resid 79 and name C) 1.0  -69.0  20.0 2

REMARK * TALOS PHI 80: 	-68.0 +/-  7.0
ASSIGN 	(resid 79 and name C)(resid 80 and name N)
	(resid 80 and name CA)(resid 80 and name C) 1.0  -68.0  15.0 2

REMARK * TALOS PHI 81: 	-63.0 +/-  4.0
ASSIGN 	(resid 80 and name C)(resid 81 and name N)
	(resid 81 and name CA)(resid 81 and name C) 1.0  -63.0  10.0 2

REMARK * TALOS PHI 82: 	-60.0 +/-  4.0
ASSIGN 	(resid 81 and name C)(resid 82 and name N)
	(resid 82 and name CA)(resid 82 and name C) 1.0  -60.0  10.0 2

REMARK * TALOS PHI 83: 	-64.0 +/-  4.0
ASSIGN 	(resid 82 and name C)(resid 83 and name N)
	(resid 83 and name CA)(resid 83 and name C) 1.0  -64.0  10.0 2

REMARK * TALOS PHI 84: 	-60.0 +/-  5.0
ASSIGN 	(resid 83 and name C)(resid 84 and name N)
	(resid 84 and name CA)(resid 84 and name C) 1.0  -60.0  10.0 2

REMARK * TALOS PHI 85: 	-62.0 +/-  4.0
ASSIGN 	(resid 84 and name C)(resid 85 and name N)
	(resid 85 and name CA)(resid 85 and name C) 1.0  -62.0  10.0 2

REMARK * TALOS PHI 86: 	-63.0 +/-  5.0
ASSIGN 	(resid 85 and name C)(resid 86 and name N)
	(resid 86 and name CA)(resid 86 and name C) 1.0  -63.0  10.0 2

REMARK * TALOS PHI 87: 	-59.0 +/-  6.0
ASSIGN 	(resid 86 and name C)(resid 87 and name N)
	(resid 87 and name CA)(resid 87 and name C) 1.0  -59.0  15.0 2

REMARK * TALOS PHI 88: 	-91.0 +/- 17.0
ASSIGN 	(resid 87 and name C)(resid 88 and name N)
	(resid 88 and name CA)(resid 88 and name C) 1.0  -91.0  35.0 2

REMARK * TALOS PHI 90: 	-93.0 +/- 14.0
ASSIGN 	(resid 89 and name C)(resid 90 and name N)
	(resid 90 and name CA)(resid 90 and name C) 1.0  -93.0  30.0 2

REMARK * TALOS PHI 93: 	-90.0 +/- 13.0
ASSIGN 	(resid 92 and name C)(resid 93 and name N)
	(resid 93 and name CA)(resid 93 and name C) 1.0  -90.0  30.0 2

REMARK * TALOS PHI 94: 	-104.0 +/- 19.0
ASSIGN 	(resid 93 and name C)(resid 94 and name N)
	(resid 94 and name CA)(resid 94 and name C) 1.0 -104.0  40.0 2

REMARK * TALOS PHI 95: 	-60.0 +/-  5.0
ASSIGN 	(resid 94 and name C)(resid 95 and name N)
	(resid 95 and name CA)(resid 95 and name C) 1.0  -60.0  10.0 2

REMARK * TALOS PHI 96: 	-68.0 +/-  9.0
ASSIGN 	(resid 95 and name C)(resid 96 and name N)
	(resid 96 and name CA)(resid 96 and name C) 1.0  -68.0  20.0 2

REMARK * TALOS PHI 97: 	-66.0 +/-  8.0
ASSIGN 	(resid 96 and name C)(resid 97 and name N)
	(resid 97 and name CA)(resid 97 and name C) 1.0  -66.0  20.0 2

REMARK * TALOS PHI 98: 	-93.0 +/- 14.0
ASSIGN 	(resid 97 and name C)(resid 98 and name N)
	(resid 98 and name CA)(resid 98 and name C) 1.0  -93.0  30.0 2

REMARK * TALOS PHI 99: 	-83.0 +/- 19.0
ASSIGN 	(resid 98 and name C)(resid 99 and name N)
	(resid 99 and name CA)(resid 99 and name C) 1.0  -83.0  40.0 2

REMARK * TALOS PHI 100: 	-99.0 +/- 21.0
ASSIGN 	(resid 99 and name C)(resid 100 and name N)
	(resid 100 and name CA)(resid 100 and name C) 1.0  -99.0  45.0 2

REMARK * TALOS PHI 102: 	-65.0 +/- 14.0
ASSIGN 	(resid 101 and name C)(resid 102 and name N)
	(resid 102 and name CA)(resid 102 and name C) 1.0  -65.0  30.0 2

REMARK * TALOS PHI 103: 	-63.0 +/-  8.0
ASSIGN 	(resid 102 and name C)(resid 103 and name N)
	(resid 103 and name CA)(resid 103 and name C) 1.0  -63.0  20.0 2

REMARK * TALOS PHI 104: 	-65.0 +/-  5.0
ASSIGN 	(resid 103 and name C)(resid 104 and name N)
	(resid 104 and name CA)(resid 104 and name C) 1.0  -65.0  10.0 2

REMARK * TALOS PHI 105: 	-60.0 +/-  4.0
ASSIGN 	(resid 104 and name C)(resid 105 and name N)
	(resid 105 and name CA)(resid 105 and name C) 1.0  -60.0  10.0 2

REMARK * TALOS PHI 106: 	-69.0 +/-  7.0
ASSIGN 	(resid 105 and name C)(resid 106 and name N)
	(resid 106 and name CA)(resid 106 and name C) 1.0  -69.0  15.0 2

REMARK * TALOS PHI 107: 	-83.0 +/- 13.0
ASSIGN 	(resid 106 and name C)(resid 107 and name N)
	(resid 107 and name CA)(resid 107 and name C) 1.0  -83.0  30.0 2

REMARK * TALOS PHI 110: 	-57.0 +/-  5.0
ASSIGN 	(resid 109 and name C)(resid 110 and name N)
	(resid 110 and name CA)(resid 110 and name C) 1.0  -57.0  10.0 2

REMARK * TALOS PHI 111: 	-58.0 +/-  5.0
ASSIGN 	(resid 110 and name C)(resid 111 and name N)
	(resid 111 and name CA)(resid 111 and name C) 1.0  -58.0  10.0 2

REMARK * TALOS PHI 112: 	-64.0 +/-  4.0
ASSIGN 	(resid 111 and name C)(resid 112 and name N)
	(resid 112 and name CA)(resid 112 and name C) 1.0  -64.0  10.0 2

REMARK * TALOS PHI 113: 	-63.0 +/-  5.0
ASSIGN 	(resid 112 and name C)(resid 113 and name N)
	(resid 113 and name CA)(resid 113 and name C) 1.0  -63.0  10.0 2

REMARK * TALOS PHI 114: 	-61.0 +/-  6.0
ASSIGN 	(resid 113 and name C)(resid 114 and name N)
	(resid 114 and name CA)(resid 114 and name C) 1.0  -61.0  15.0 2

REMARK * TALOS PHI 115: 	-68.0 +/- 12.0
ASSIGN 	(resid 114 and name C)(resid 115 and name N)
	(resid 115 and name CA)(resid 115 and name C) 1.0  -68.0  25.0 2

REMARK * TALOS PHI 116: 	-80.0 +/-  9.0
ASSIGN 	(resid 115 and name C)(resid 116 and name N)
	(resid 116 and name CA)(resid 116 and name C) 1.0  -80.0  20.0 2

REMARK * TALOS PHI 118: 	-64.0 +/-  7.0
ASSIGN 	(resid 117 and name C)(resid 118 and name N)
	(resid 118 and name CA)(resid 118 and name C) 1.0  -64.0  15.0 2

REMARK * TALOS PHI 119: 	-59.0 +/-  5.0
ASSIGN 	(resid 118 and name C)(resid 119 and name N)
	(resid 119 and name CA)(resid 119 and name C) 1.0  -59.0  10.0 2

REMARK * TALOS PHI 120: 	-66.0 +/-  8.0
ASSIGN 	(resid 119 and name C)(resid 120 and name N)
	(resid 120 and name CA)(resid 120 and name C) 1.0  -66.0  20.0 2

REMARK * TALOS PHI 121: 	-65.0 +/-  5.0
ASSIGN 	(resid 120 and name C)(resid 121 and name N)
	(resid 121 and name CA)(resid 121 and name C) 1.0  -65.0  10.0 2

REMARK * TALOS PHI 122: 	-65.0 +/-  7.0
ASSIGN 	(resid 121 and name C)(resid 122 and name N)
	(resid 122 and name CA)(resid 122 and name C) 1.0  -65.0  15.0 2

REMARK * TALOS PHI 123: 	-61.0 +/-  6.0
ASSIGN 	(resid 122 and name C)(resid 123 and name N)
	(resid 123 and name CA)(resid 123 and name C) 1.0  -61.0  15.0 2

REMARK * TALOS PHI 124: 	-67.0 +/- 10.0
ASSIGN 	(resid 123 and name C)(resid 124 and name N)
	(resid 124 and name CA)(resid 124 and name C) 1.0  -67.0  20.0 2

REMARK * TALOS PHI 125: 	-67.0 +/-  8.0
ASSIGN 	(resid 124 and name C)(resid 125 and name N)
	(resid 125 and name CA)(resid 125 and name C) 1.0  -67.0  20.0 2

REMARK * TALOS PHI 126: 	-61.0 +/-  6.0
ASSIGN 	(resid 125 and name C)(resid 126 and name N)
	(resid 126 and name CA)(resid 126 and name C) 1.0  -61.0  15.0 2

REMARK * TALOS PHI 127: 	-69.0 +/-  8.0
ASSIGN 	(resid 126 and name C)(resid 127 and name N)
	(resid 127 and name CA)(resid 127 and name C) 1.0  -69.0  20.0 2

REMARK * TALOS PHI 128: 	-65.0 +/-  6.0
ASSIGN 	(resid 127 and name C)(resid 128 and name N)
	(resid 128 and name CA)(resid 128 and name C) 1.0  -65.0  15.0 2

REMARK * TALOS PHI 129: 	-60.0 +/-  8.0
ASSIGN 	(resid 128 and name C)(resid 129 and name N)
	(resid 129 and name CA)(resid 129 and name C) 1.0  -60.0  20.0 2

REMARK * TALOS PHI 130: 	-62.0 +/-  3.0
ASSIGN 	(resid 129 and name C)(resid 130 and name N)
	(resid 130 and name CA)(resid 130 and name C) 1.0  -62.0  10.0 2

REMARK * TALOS PHI 131: 	-66.0 +/- 10.0
ASSIGN 	(resid 130 and name C)(resid 131 and name N)
	(resid 131 and name CA)(resid 131 and name C) 1.0  -66.0  20.0 2

REMARK * TALOS PHI 132: 	-63.0 +/-  8.0
ASSIGN 	(resid 131 and name C)(resid 132 and name N)
	(resid 132 and name CA)(resid 132 and name C) 1.0  -63.0  20.0 2

REMARK * TALOS PHI 133: 	-74.0 +/- 10.0
ASSIGN 	(resid 132 and name C)(resid 133 and name N)
	(resid 133 and name CA)(resid 133 and name C) 1.0  -74.0  20.0 2

REMARK * TALOS PHI 135: 	-70.0 +/-  9.0
ASSIGN 	(resid 134 and name C)(resid 135 and name N)
	(resid 135 and name CA)(resid 135 and name C) 1.0  -70.0  20.0 2


REMARK * EtsPnt (29-138) reassignment
REMARK * File created by: glee  3Apr2007
	
REMARK **************************
REMARK * GOOD TALOS ASSIGNMENTS *
REMARK * WEIGHT = 1.0           *
REMARK **************************
	
REMARK *******
REMARK * PSI *
REMARK *******

REMARK * TALOS PSI 32: 	-34.0 +/- 16.0
ASSIGN 	(resid 32 and name N)(resid 32 and name CA)
	(resid 32 and name C)(resid 33 and name N) 1.0  -34.0  35.0 2

REMARK * TALOS PSI 34: 	139.0 +/- 17.0
ASSIGN 	(resid 34 and name N)(resid 34 and name CA)
	(resid 34 and name C)(resid 35 and name N) 1.0  139.0  35.0 2

REMARK * TALOS PSI 35: 	145.0 +/- 10.0
ASSIGN 	(resid 35 and name N)(resid 35 and name CA)
	(resid 35 and name C)(resid 36 and name N) 1.0  145.0  20.0 2

REMARK * TALOS PSI 37: 	138.0 +/- 24.0
ASSIGN 	(resid 37 and name N)(resid 37 and name CA)
	(resid 37 and name C)(resid 38 and name N) 1.0  138.0  50.0 2

REMARK * TALOS PSI 38: 	143.0 +/- 17.0
ASSIGN 	(resid 38 and name N)(resid 38 and name CA)
	(resid 38 and name C)(resid 39 and name N) 1.0  143.0  35.0 2

REMARK * TALOS PSI 40: 	-29.0 +/- 15.0
ASSIGN 	(resid 40 and name N)(resid 40 and name CA)
	(resid 40 and name C)(resid 41 and name N) 1.0  -29.0  30.0 2

REMARK * TALOS PSI 41: 	-36.0 +/- 11.0
ASSIGN 	(resid 41 and name N)(resid 41 and name CA)
	(resid 41 and name C)(resid 42 and name N) 1.0  -36.0  25.0 2

REMARK * TALOS PSI 42: 	-40.0 +/- 12.0
ASSIGN 	(resid 42 and name N)(resid 42 and name CA)
	(resid 42 and name C)(resid 43 and name N) 1.0  -40.0  25.0 2

REMARK * TALOS PSI 43: 	-41.0 +/- 11.0
ASSIGN 	(resid 43 and name N)(resid 43 and name CA)
	(resid 43 and name C)(resid 44 and name N) 1.0  -41.0  25.0 2

REMARK * TALOS PSI 44: 	-41.0 +/- 11.0
ASSIGN 	(resid 44 and name N)(resid 44 and name CA)
	(resid 44 and name C)(resid 45 and name N) 1.0  -41.0  25.0 2

REMARK * TALOS PSI 45: 	-37.0 +/- 13.0
ASSIGN 	(resid 45 and name N)(resid 45 and name CA)
	(resid 45 and name C)(resid 46 and name N) 1.0  -37.0  30.0 2

REMARK * TALOS PSI 46: 	-37.0 +/- 11.0
ASSIGN 	(resid 46 and name N)(resid 46 and name CA)
	(resid 46 and name C)(resid 47 and name N) 1.0  -37.0  25.0 2

REMARK * TALOS PSI 47: 	-45.0 +/-  6.0
ASSIGN 	(resid 47 and name N)(resid 47 and name CA)
	(resid 47 and name C)(resid 48 and name N) 1.0  -45.0  15.0 2

REMARK * TALOS PSI 48: 	-38.0 +/-  6.0
ASSIGN 	(resid 48 and name N)(resid 48 and name CA)
	(resid 48 and name C)(resid 49 and name N) 1.0  -38.0  15.0 2

REMARK * TALOS PSI 49: 	-41.0 +/-  6.0
ASSIGN 	(resid 49 and name N)(resid 49 and name CA)
	(resid 49 and name C)(resid 50 and name N) 1.0  -41.0  15.0 2

REMARK * TALOS PSI 50: 	-38.0 +/- 11.0
ASSIGN 	(resid 50 and name N)(resid 50 and name CA)
	(resid 50 and name C)(resid 51 and name N) 1.0  -38.0  25.0 2

REMARK * TALOS PSI 51: 	-36.0 +/- 10.0
ASSIGN 	(resid 51 and name N)(resid 51 and name CA)
	(resid 51 and name C)(resid 52 and name N) 1.0  -36.0  20.0 2

REMARK * TALOS PSI 52: 	-40.0 +/- 14.0
ASSIGN 	(resid 52 and name N)(resid 52 and name CA)
	(resid 52 and name C)(resid 53 and name N) 1.0  -40.0  30.0 2

REMARK * TALOS PSI 53: 	-18.0 +/- 29.0
ASSIGN 	(resid 53 and name N)(resid 53 and name CA)
	(resid 53 and name C)(resid 54 and name N) 1.0  -18.0  60.0 2

REMARK * TALOS PSI 54: 	-29.0 +/- 12.0
ASSIGN 	(resid 54 and name N)(resid 54 and name CA)
	(resid 54 and name C)(resid 55 and name N) 1.0  -29.0  25.0 2

REMARK * TALOS PSI 55: 	-40.0 +/- 12.0
ASSIGN 	(resid 55 and name N)(resid 55 and name CA)
	(resid 55 and name C)(resid 56 and name N) 1.0  -40.0  25.0 2

REMARK * TALOS PSI 56: 	-34.0 +/- 14.0
ASSIGN 	(resid 56 and name N)(resid 56 and name CA)
	(resid 56 and name C)(resid 57 and name N) 1.0  -34.0  30.0 2

REMARK * TALOS PSI 57: 	-32.0 +/- 13.0
ASSIGN 	(resid 57 and name N)(resid 57 and name CA)
	(resid 57 and name C)(resid 58 and name N) 1.0  -32.0  30.0 2

REMARK * TALOS PSI 58: 	-42.0 +/-  8.0
ASSIGN 	(resid 58 and name N)(resid 58 and name CA)
	(resid 58 and name C)(resid 59 and name N) 1.0  -42.0  20.0 2

REMARK * TALOS PSI 59: 	-39.0 +/-  9.0
ASSIGN 	(resid 59 and name N)(resid 59 and name CA)
	(resid 59 and name C)(resid 60 and name N) 1.0  -39.0  20.0 2

REMARK * TALOS PSI 60: 	-46.0 +/-  4.0
ASSIGN 	(resid 60 and name N)(resid 60 and name CA)
	(resid 60 and name C)(resid 61 and name N) 1.0  -46.0  10.0 2

REMARK * TALOS PSI 61: 	-36.0 +/-  9.0
ASSIGN 	(resid 61 and name N)(resid 61 and name CA)
	(resid 61 and name C)(resid 62 and name N) 1.0  -36.0  20.0 2

REMARK * TALOS PSI 62: 	-35.0 +/-  8.0
ASSIGN 	(resid 62 and name N)(resid 62 and name CA)
	(resid 62 and name C)(resid 63 and name N) 1.0  -35.0  20.0 2

REMARK * TALOS PSI 63: 	-7.0 +/- 11.0
ASSIGN 	(resid 63 and name N)(resid 63 and name CA)
	(resid 63 and name C)(resid 64 and name N) 1.0   -7.0  25.0 2

REMARK * TALOS PSI 65: 	142.0 +/- 17.0
ASSIGN 	(resid 65 and name N)(resid 65 and name CA)
	(resid 65 and name C)(resid 66 and name N) 1.0  142.0  35.0 2

REMARK * TALOS PSI 66: 	147.0 +/- 12.0
ASSIGN 	(resid 66 and name N)(resid 66 and name CA)
	(resid 66 and name C)(resid 67 and name N) 1.0  147.0  25.0 2

REMARK * TALOS PSI 70: 	-23.0 +/- 13.0
ASSIGN 	(resid 70 and name N)(resid 70 and name CA)
	(resid 70 and name C)(resid 71 and name N) 1.0  -23.0  30.0 2

REMARK * TALOS PSI 72: 	135.0 +/- 15.0
ASSIGN 	(resid 72 and name N)(resid 72 and name CA)
	(resid 72 and name C)(resid 73 and name N) 1.0  135.0  30.0 2

REMARK * TALOS PSI 73: 	161.0 +/- 14.0
ASSIGN 	(resid 73 and name N)(resid 73 and name CA)
	(resid 73 and name C)(resid 74 and name N) 1.0  161.0  30.0 2

REMARK * TALOS PSI 74: 	-34.0 +/-  9.0
ASSIGN 	(resid 74 and name N)(resid 74 and name CA)
	(resid 74 and name C)(resid 75 and name N) 1.0  -34.0  20.0 2

REMARK * TALOS PSI 75: 	-42.0 +/-  6.0
ASSIGN 	(resid 75 and name N)(resid 75 and name CA)
	(resid 75 and name C)(resid 76 and name N) 1.0  -42.0  15.0 2

REMARK * TALOS PSI 76: 	-46.0 +/-  5.0
ASSIGN 	(resid 76 and name N)(resid 76 and name CA)
	(resid 76 and name C)(resid 77 and name N) 1.0  -46.0  10.0 2

REMARK * TALOS PSI 77: 	-44.0 +/-  7.0
ASSIGN 	(resid 77 and name N)(resid 77 and name CA)
	(resid 77 and name C)(resid 78 and name N) 1.0  -44.0  15.0 2

REMARK * TALOS PSI 78: 	-41.0 +/-  6.0
ASSIGN 	(resid 78 and name N)(resid 78 and name CA)
	(resid 78 and name C)(resid 79 and name N) 1.0  -41.0  15.0 2

REMARK * TALOS PSI 79: 	-37.0 +/-  8.0
ASSIGN 	(resid 79 and name N)(resid 79 and name CA)
	(resid 79 and name C)(resid 80 and name N) 1.0  -37.0  20.0 2

REMARK * TALOS PSI 80: 	-43.0 +/-  8.0
ASSIGN 	(resid 80 and name N)(resid 80 and name CA)
	(resid 80 and name C)(resid 81 and name N) 1.0  -43.0  20.0 2

REMARK * TALOS PSI 81: 	-42.0 +/-  6.0
ASSIGN 	(resid 81 and name N)(resid 81 and name CA)
	(resid 81 and name C)(resid 82 and name N) 1.0  -42.0  15.0 2

REMARK * TALOS PSI 82: 	-38.0 +/-  8.0
ASSIGN 	(resid 82 and name N)(resid 82 and name CA)
	(resid 82 and name C)(resid 83 and name N) 1.0  -38.0  20.0 2

REMARK * TALOS PSI 83: 	-44.0 +/-  6.0
ASSIGN 	(resid 83 and name N)(resid 83 and name CA)
	(resid 83 and name C)(resid 84 and name N) 1.0  -44.0  15.0 2

REMARK * TALOS PSI 84: 	-43.0 +/-  7.0
ASSIGN 	(resid 84 and name N)(resid 84 and name CA)
	(resid 84 and name C)(resid 85 and name N) 1.0  -43.0  15.0 2

REMARK * TALOS PSI 85: 	-41.0 +/-  8.0
ASSIGN 	(resid 85 and name N)(resid 85 and name CA)
	(resid 85 and name C)(resid 86 and name N) 1.0  -41.0  20.0 2

REMARK * TALOS PSI 86: 	-39.0 +/-  6.0
ASSIGN 	(resid 86 and name N)(resid 86 and name CA)
	(resid 86 and name C)(resid 87 and name N) 1.0  -39.0  15.0 2

REMARK * TALOS PSI 87: 	-36.0 +/-  6.0
ASSIGN 	(resid 87 and name N)(resid 87 and name CA)
	(resid 87 and name C)(resid 88 and name N) 1.0  -36.0  15.0 2

REMARK * TALOS PSI 88: 	 1.0 +/- 14.0
ASSIGN 	(resid 88 and name N)(resid 88 and name CA)
	(resid 88 and name C)(resid 89 and name N) 1.0    1.0  30.0 2

REMARK * TALOS PSI 90: 	-7.0 +/- 16.0
ASSIGN 	(resid 90 and name N)(resid 90 and name CA)
	(resid 90 and name C)(resid 91 and name N) 1.0   -7.0  35.0 2

REMARK * TALOS PSI 93: 	127.0 +/-  9.0
ASSIGN 	(resid 93 and name N)(resid 93 and name CA)
	(resid 93 and name C)(resid 94 and name N) 1.0  127.0  20.0 2

REMARK * TALOS PSI 94: 	112.0 +/- 24.0
ASSIGN 	(resid 94 and name N)(resid 94 and name CA)
	(resid 94 and name C)(resid 95 and name N) 1.0  112.0  50.0 2

REMARK * TALOS PSI 95: 	-31.0 +/- 10.0
ASSIGN 	(resid 95 and name N)(resid 95 and name CA)
	(resid 95 and name C)(resid 96 and name N) 1.0  -31.0  20.0 2

REMARK * TALOS PSI 96: 	-40.0 +/-  8.0
ASSIGN 	(resid 96 and name N)(resid 96 and name CA)
	(resid 96 and name C)(resid 97 and name N) 1.0  -40.0  20.0 2

REMARK * TALOS PSI 97: 	-29.0 +/- 15.0
ASSIGN 	(resid 97 and name N)(resid 97 and name CA)
	(resid 97 and name C)(resid 98 and name N) 1.0  -29.0  30.0 2

REMARK * TALOS PSI 98: 	-12.0 +/- 18.0
ASSIGN 	(resid 98 and name N)(resid 98 and name CA)
	(resid 98 and name C)(resid 99 and name N) 1.0  -12.0  40.0 2

REMARK * TALOS PSI 99: 	132.0 +/- 23.0
ASSIGN 	(resid 99 and name N)(resid 99 and name CA)
	(resid 99 and name C)(resid 100 and name N) 1.0  132.0  50.0 2

REMARK * TALOS PSI 100: 	155.0 +/- 14.0
ASSIGN 	(resid 100 and name N)(resid 100 and name CA)
	(resid 100 and name C)(resid 101 and name N) 1.0  155.0  30.0 2

REMARK * TALOS PSI 102: 	-45.0 +/-  8.0
ASSIGN 	(resid 102 and name N)(resid 102 and name CA)
	(resid 102 and name C)(resid 103 and name N) 1.0  -45.0  20.0 2

REMARK * TALOS PSI 103: 	-43.0 +/- 12.0
ASSIGN 	(resid 103 and name N)(resid 103 and name CA)
	(resid 103 and name C)(resid 104 and name N) 1.0  -43.0  25.0 2

REMARK * TALOS PSI 104: 	-38.0 +/-  7.0
ASSIGN 	(resid 104 and name N)(resid 104 and name CA)
	(resid 104 and name C)(resid 105 and name N) 1.0  -38.0  15.0 2

REMARK * TALOS PSI 105: 	-45.0 +/-  5.0
ASSIGN 	(resid 105 and name N)(resid 105 and name CA)
	(resid 105 and name C)(resid 106 and name N) 1.0  -45.0  10.0 2

REMARK * TALOS PSI 106: 	-30.0 +/- 12.0
ASSIGN 	(resid 106 and name N)(resid 106 and name CA)
	(resid 106 and name C)(resid 107 and name N) 1.0  -30.0  25.0 2

REMARK * TALOS PSI 107: 	-30.0 +/- 21.0
ASSIGN 	(resid 107 and name N)(resid 107 and name CA)
	(resid 107 and name C)(resid 108 and name N) 1.0  -30.0  45.0 2

REMARK * TALOS PSI 110: 	-40.0 +/- 10.0
ASSIGN 	(resid 110 and name N)(resid 110 and name CA)
	(resid 110 and name C)(resid 111 and name N) 1.0  -40.0  20.0 2

REMARK * TALOS PSI 111: 	-44.0 +/-  6.0
ASSIGN 	(resid 111 and name N)(resid 111 and name CA)
	(resid 111 and name C)(resid 112 and name N) 1.0  -44.0  15.0 2

REMARK * TALOS PSI 112: 	-39.0 +/-  5.0
ASSIGN 	(resid 112 and name N)(resid 112 and name CA)
	(resid 112 and name C)(resid 113 and name N) 1.0  -39.0  10.0 2

REMARK * TALOS PSI 113: 	-42.0 +/-  7.0
ASSIGN 	(resid 113 and name N)(resid 113 and name CA)
	(resid 113 and name C)(resid 114 and name N) 1.0  -42.0  15.0 2

REMARK * TALOS PSI 114: 	-38.0 +/-  8.0
ASSIGN 	(resid 114 and name N)(resid 114 and name CA)
	(resid 114 and name C)(resid 115 and name N) 1.0  -38.0  20.0 2

REMARK * TALOS PSI 115: 	-37.0 +/- 11.0
ASSIGN 	(resid 115 and name N)(resid 115 and name CA)
	(resid 115 and name C)(resid 116 and name N) 1.0  -37.0  25.0 2

REMARK * TALOS PSI 116: 	-25.0 +/- 15.0
ASSIGN 	(resid 116 and name N)(resid 116 and name CA)
	(resid 116 and name C)(resid 117 and name N) 1.0  -25.0  30.0 2

REMARK * TALOS PSI 118: 	147.0 +/-  7.0
ASSIGN 	(resid 118 and name N)(resid 118 and name CA)
	(resid 118 and name C)(resid 119 and name N) 1.0  147.0  15.0 2

REMARK * TALOS PSI 119: 	-35.0 +/-  8.0
ASSIGN 	(resid 119 and name N)(resid 119 and name CA)
	(resid 119 and name C)(resid 120 and name N) 1.0  -35.0  20.0 2

REMARK * TALOS PSI 120: 	-39.0 +/- 14.0
ASSIGN 	(resid 120 and name N)(resid 120 and name CA)
	(resid 120 and name C)(resid 121 and name N) 1.0  -39.0  30.0 2

REMARK * TALOS PSI 121: 	-39.0 +/- 11.0
ASSIGN 	(resid 121 and name N)(resid 121 and name CA)
	(resid 121 and name C)(resid 122 and name N) 1.0  -39.0  25.0 2

REMARK * TALOS PSI 122: 	-39.0 +/- 10.0
ASSIGN 	(resid 122 and name N)(resid 122 and name CA)
	(resid 122 and name C)(resid 123 and name N) 1.0  -39.0  20.0 2

REMARK * TALOS PSI 123: 	-46.0 +/-  5.0
ASSIGN 	(resid 123 and name N)(resid 123 and name CA)
	(resid 123 and name C)(resid 124 and name N) 1.0  -46.0  10.0 2

REMARK * TALOS PSI 124: 	-44.0 +/-  8.0
ASSIGN 	(resid 124 and name N)(resid 124 and name CA)
	(resid 124 and name C)(resid 125 and name N) 1.0  -44.0  20.0 2

REMARK * TALOS PSI 125: 	-36.0 +/- 10.0
ASSIGN 	(resid 125 and name N)(resid 125 and name CA)
	(resid 125 and name C)(resid 126 and name N) 1.0  -36.0  20.0 2

REMARK * TALOS PSI 126: 	-40.0 +/-  5.0
ASSIGN 	(resid 126 and name N)(resid 126 and name CA)
	(resid 126 and name C)(resid 127 and name N) 1.0  -40.0  10.0 2

REMARK * TALOS PSI 127: 	-38.0 +/- 12.0
ASSIGN 	(resid 127 and name N)(resid 127 and name CA)
	(resid 127 and name C)(resid 128 and name N) 1.0  -38.0  25.0 2

REMARK * TALOS PSI 128: 	-43.0 +/-  9.0
ASSIGN 	(resid 128 and name N)(resid 128 and name CA)
	(resid 128 and name C)(resid 129 and name N) 1.0  -43.0  20.0 2

REMARK * TALOS PSI 129: 	-42.0 +/-  8.0
ASSIGN 	(resid 129 and name N)(resid 129 and name CA)
	(resid 129 and name C)(resid 130 and name N) 1.0  -42.0  20.0 2

REMARK * TALOS PSI 130: 	-39.0 +/-  5.0
ASSIGN 	(resid 130 and name N)(resid 130 and name CA)
	(resid 130 and name C)(resid 131 and name N) 1.0  -39.0  10.0 2

REMARK * TALOS PSI 131: 	-42.0 +/-  7.0
ASSIGN 	(resid 131 and name N)(resid 131 and name CA)
	(resid 131 and name C)(resid 132 and name N) 1.0  -42.0  15.0 2

REMARK * TALOS PSI 132: 	-39.0 +/-  7.0
ASSIGN 	(resid 132 and name N)(resid 132 and name CA)
	(resid 132 and name C)(resid 133 and name N) 1.0  -39.0  15.0 2

REMARK * TALOS PSI 133: 	-36.0 +/- 13.0
ASSIGN 	(resid 133 and name N)(resid 133 and name CA)
	(resid 133 and name C)(resid 134 and name N) 1.0  -36.0  30.0 2

REMARK * TALOS PSI 135: 	-36.0 +/- 16.0
ASSIGN 	(resid 135 and name N)(resid 135 and name CA)
	(resid 135 and name C)(resid 136 and name N) 1.0  -36.0  35.0 2

REMARK File: ets1_29-138_hbond_041007.tbl
REMARK          version 3.0; Apr. 10, 2007
REMARK
REMARK	 Construct: EtsPnt (29-138)
REMARK          based on PNAS 1998 paper/Carolyn Slupsky's restraints
REMARK		only included HX-protected HNs
REMARK	 
REMARK   h-bonds for H2 (75-87), H3 (102-107),
REMARK          H4 (110-116), H5 (123-132)


REMARK  ******
REMARK  * H2 *
REMARK  ******

assi (resid 78 and name HN)(resid 74 and name O) 1.80 0.30 0.40
assi (resid 78 and name N )(resid 74 and name O) 2.80 0.30 0.40

assi (resid 79 and name HN)(resid 75 and name O) 1.80 0.30 0.40
assi (resid 79 and name N )(resid 75 and name O) 2.80 0.30 0.40

assi (resid 80 and name HN)(resid 76 and name O) 1.80 0.30 0.40
assi (resid 80 and name N )(resid 76 and name O) 2.80 0.30 0.40

assi (resid 81 and name HN)(resid 77 and name O) 1.80 0.30 0.40
assi (resid 81 and name N )(resid 77 and name O) 2.80 0.30 0.40
 
assi (resid 82 and name HN)(resid 78 and name O) 1.80 0.30 0.40
assi (resid 82 and name N )(resid 78 and name O) 2.80 0.30 0.40

assi (resid 83 and name HN)(resid 79 and name O) 1.80 0.30 0.40
assi (resid 83 and name N )(resid 79 and name O) 2.80 0.30 0.40

! assi (resid 84 and name HN)(resid 80 and name O) 1.80 0.30 0.40
! assi (resid 84 and name N )(resid 80 and name O) 2.80 0.30 0.40

! assi (resid 85 and name HN)(resid 81 and name O) 1.80 0.30 0.40
! assi (resid 85 and name N )(resid 81 and name O) 2.80 0.30 0.40

assi (resid 86 and name HN)(resid 82 and name O) 1.80 0.30 0.40
assi (resid 86 and name N )(resid 82 and name O) 2.80 0.30 0.40

assi (resid 87 and name HN)(resid 83 and name O) 1.80 0.30 0.40
assi (resid 87 and name N )(resid 83 and name O) 2.80 0.30 0.40

assi (resid 88 and name HN)(resid 84 and name O) 1.80 0.30 0.40
assi (resid 88 and name N )(resid 84 and name O) 2.80 0.30 0.40


REMARK  ******
REMARK  * H3 *
REMARK  ******
 
assi (resid 106 and name HN)(resid 102 and name O) 1.80 0.30 0.40
assi (resid 106 and name N )(resid 102 and name O) 2.80 0.30 0.40

! assi (resid 107 and name HN)(resid 103 and name O) 1.80 0.30 0.40
! assi (resid 107 and name N )(resid 103 and name O) 2.80 0.30 0.40

assi (resid 108 and name HN)(resid 104 and name O) 1.80 0.30 0.40
assi (resid 108 and name N )(resid 104 and name O) 2.80 0.30 0.40

REMARK  ******
REMARK  * H4 *
REMARK  ******
 
! assi (resid 114 and name HN)(resid 110 and name O) 1.80 0.30 0.40
! assi (resid 114 and name N )(resid 110 and name O) 2.80 0.30 0.40

! assi (resid 115 and name HN)(resid 111 and name O) 1.80 0.30 0.40
! assi (resid 115 and name N )(resid 111 and name O) 2.80 0.30 0.40

assi (resid 116 and name HN)(resid 112 and name O) 1.80 0.30 0.40
assi (resid 116 and name N )(resid 112 and name O) 2.80 0.30 0.40

assi (resid 117 and name HN)(resid 113 and name O) 1.80 0.30 0.40
assi (resid 117 and name N )(resid 113 and name O) 2.80 0.30 0.40

REMARK  ******
REMARK  * H5 *
REMARK  ******
 
! assi (resid 127 and name HN)(resid 123 and name O) 1.80 0.30 0.40
! assi (resid 127 and name N )(resid 123 and name O) 2.80 0.30 0.40

assi (resid 128 and name HN)(resid 124 and name O) 1.80 0.30 0.40
assi (resid 128 and name N )(resid 124 and name O) 2.80 0.30 0.40

assi (resid 129 and name HN)(resid 125 and name O) 1.80 0.30 0.40
assi (resid 129 and name N )(resid 125 and name O) 2.80 0.30 0.40

! assi (resid 130 and name HN)(resid 126 and name O) 1.80 0.30 0.40
! assi (resid 130 and name N )(resid 126 and name O) 2.80 0.30 0.40

assi (resid 131 and name HN)(resid 127 and name O) 1.80 0.30 0.40
assi (resid 131 and name N )(resid 127 and name O) 2.80 0.30 0.40

assi (resid 132 and name HN)(resid 128 and name O) 1.80 0.30 0.40
assi (resid 132 and name N )(resid 128 and name O) 2.80 0.30 0.40

REMARK  Ets1 (29-138) @ 30C
REMARK  master rdc list
REMARK  contraints from RDCA input table
REMARK	data acquired by G.M.Lee (June 2007)
REMARK		EtsPnt in ~15 mg/mL PF1 phage
REMARK		2H split = 16.46 Hz
REMARK
REMARK  edited by GML, version 2.0
REMARK  created: June 27, 2007,
REMARK  updated: Aug. 14, 2007
REMARK	removed residues w/ 1H{15N}-NOEs < 0.2 (29-41,136-138)
REMARK
REMARK  FULL list
REMARK	Da = +4.923, Dr = 2.978, R = 0.605

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 42 and name HN)
  	(resid 42 and name N)	-3.010	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 43 and name HN)
  	(resid 43 and name N)	0.900	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 44 and name HN)
  	(resid 44 and name N)	-2.890	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 45 and name HN)
  	(resid 45 and name N)	-4.200	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 46 and name HN)
  	(resid 46 and name N)	-1.470	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 47 and name HN)
  	(resid 47 and name N)	0.750	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 48 and name HN)
  	(resid 48 and name N)	-2.410	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 49 and name HN)
  	(resid 49 and name N)	-5.880	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 50 and name HN)
  	(resid 50 and name N)	1.410	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 51 and name HN)
  	(resid 51 and name N)	1.480	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 52 and name HN)
  	(resid 52 and name N)	-3.950	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 53 and name HN)
  	(resid 53 and name N)	-0.630	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 54 and name HN)
  	(resid 54 and name N)	8.790	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 55 and name HN)
  	(resid 55 and name N)	1.720	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 56 and name HN)
  	(resid 56 and name N)	-2.040	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 57 and name HN)
  	(resid 57 and name N)	7.730	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 58 and name HN)
  	(resid 58 and name N)	3.010	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 59 and name HN)
  	(resid 59 and name N)	0.990	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 60 and name HN)
  	(resid 60 and name N)	6.210	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 61 and name HN)
  	(resid 61 and name N)	9.100	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 62 and name HN)
  	(resid 62 and name N)	6.820	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 63 and name HN)
  	(resid 63 and name N)	3.560	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 64 and name HN)
  	(resid 64 and name N)	4.190	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 65 and name HN)
  	(resid 65 and name N)	4.330	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 67 and name HN)
  	(resid 67 and name N)	1.410	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 68 and name HN)
  	(resid 68 and name N)	4.290	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 70 and name HN)
  	(resid 70 and name N)	1.430	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 71 and name HN)
  	(resid 71 and name N)	7.360	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 72 and name HN)
  	(resid 72 and name N)	-1.010	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 73 and name HN)
  	(resid 73 and name N)	-5.620	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 74 and name HN)
  	(resid 74 and name N)	8.740	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 75 and name HN)
  	(resid 75 and name N)	7.720	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 76 and name HN)
  	(resid 76 and name N)	5.500	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 77 and name HN)
  	(resid 77 and name N)	8.370	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 78 and name HN)
  	(resid 78 and name N)	9.400	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 79 and name HN)
  	(resid 79 and name N)	8.720	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 80 and name HN)
  	(resid 80 and name N)	5.260	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 81 and name HN)
  	(resid 81 and name N)	6.910	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 82 and name HN)
  	(resid 82 and name N)	9.470	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 83 and name HN)
  	(resid 83 and name N)	5.400	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 84 and name HN)
  	(resid 84 and name N)	6.890	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 85 and name HN)
  	(resid 85 and name N)	9.750	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 86 and name HN)
  	(resid 86 and name N)	9.130	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 87 and name HN)
  	(resid 87 and name N)	-0.730	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 88 and name HN)
  	(resid 88 and name N)	8.140	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 89 and name HN)
  	(resid 89 and name N)	0.590	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 90 and name HN)
  	(resid 90 and name N)	3.010	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 91 and name HN)
  	(resid 91 and name N)	0.620	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 92 and name HN)
  	(resid 92 and name N)	-7.590	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 93 and name HN)
  	(resid 93 and name N)	-9.340	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 94 and name HN)
  	(resid 94 and name N)	-7.090	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 95 and name HN)
  	(resid 95 and name N)	-3.680	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 96 and name HN)
  	(resid 96 and name N)	3.840	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 97 and name HN)
  	(resid 97 and name N)	3.940	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 98 and name HN)
  	(resid 98 and name N)	-5.770	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 99 and name HN)
  	(resid 99 and name N)	-1.870	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 100 and name HN)
  	(resid 100 and name N)	-0.170	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 101 and name HN)
  	(resid 101 and name N)	-2.260	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 102 and name HN)
  	(resid 102 and name N)	-4.910	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 103 and name HN)
  	(resid 103 and name N)	0.960	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 104 and name HN)
  	(resid 104 and name N)	-5.920	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 105 and name HN)
  	(resid 105 and name N)	-6.960	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 106 and name HN)
  	(resid 106 and name N)	0.210	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 107 and name HN)
  	(resid 107 and name N)	-0.110	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 108 and name HN)
  	(resid 108 and name N)	-10.350	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 109 and name HN)
  	(resid 109 and name N)	-4.220	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 110 and name HN)
  	(resid 110 and name N)	-1.200	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 111 and name HN)
  	(resid 111 and name N)	-3.680	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 112 and name HN)
  	(resid 112 and name N)	-0.390	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 113 and name HN)
  	(resid 113 and name N)	-0.260	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 114 and name HN)
  	(resid 114 and name N)	-5.200	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 115 and name HN)
  	(resid 115 and name N)	1.010	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 116 and name HN)
  	(resid 116 and name N)	1.500	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 117 and name HN)
  	(resid 117 and name N)	-6.180	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 119 and name HN)
  	(resid 119 and name N)	-0.780	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 120 and name HN)
  	(resid 120 and name N)	-5.810	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 121 and name HN)
  	(resid 121 and name N)	-0.290	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 122 and name HN)
  	(resid 122 and name N)	-1.290	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 123 and name HN)
  	(resid 123 and name N)	5.000	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 124 and name HN)
  	(resid 124 and name N)	2.040	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 125 and name HN)
  	(resid 125 and name N)	-0.120	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 126 and name HN)
  	(resid 126 and name N)	3.300	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 127 and name HN)
  	(resid 127 and name N)	3.440	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 128 and name HN)
  	(resid 128 and name N)	2.300	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 129 and name HN)
  	(resid 129 and name N)	1.000	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 130 and name HN)
  	(resid 130 and name N)	4.740	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 131 and name HN)
  	(resid 131 and name N)	2.370	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 132 and name HN)
  	(resid 132 and name N)	1.560	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 133 and name HN)
  	(resid 133 and name N)	3.070	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 134 and name HN)
  	(resid 134 and name N)	7.550	1.5

assign	(resid 999 and name OO)
	(resid 999 and name Z)
	(resid 999 and name X)
	(resid 999 and name Y)
  	(resid 135 and name HN)
  	(resid 135 and name N)	-4.180	1.5


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET  29           H1       MET  29 -28.356  10.426  -6.311
    2    H2   MET  29           H2       MET  29 -28.137   8.803  -5.859
    3    H3   MET  29           H3       MET  29 -27.724   9.313  -7.423
    4    HA   MET  29           HA       MET  29 -25.772   9.010  -6.008
    5    HB2  MET  29           HB2      MET  29 -25.722  10.616  -7.870
    6    HB3  MET  29           HB3      MET  29 -26.359  11.870  -6.814
    7    HG2  MET  29           HG2      MET  29 -24.331  11.684  -5.424
    8    HG3  MET  29           HG3      MET  29 -23.692  10.499  -6.560
    9    HE1  MET  29           HE1      MET  29 -21.482  13.656  -7.276
   10    HE2  MET  29           HE2      MET  29 -22.115  13.152  -5.709
   11    HE3  MET  29           HE3      MET  29 -21.483  11.949  -6.834
   12    H    GLU  30           HN       GLU  30 -25.663   8.658  -3.861
   13    HA   GLU  30           HA       GLU  30 -26.795  10.550  -1.986
   14    HB2  GLU  30           HB2      GLU  30 -25.084   8.128  -1.407
   15    HB3  GLU  30           HB3      GLU  30 -26.105   8.997  -0.269
   16    HG2  GLU  30           HG2      GLU  30 -27.023   7.387  -2.637
   17    HG3  GLU  30           HG3      GLU  30 -27.160   6.934  -0.940
   18    H    CYS  31           HN       CYS  31 -25.753  12.322  -1.367
   19    HA   CYS  31           HA       CYS  31 -22.833  12.381  -1.636
   20    HB2  CYS  31           HB2      CYS  31 -24.863  14.613  -1.531
   21    HB3  CYS  31           HB3      CYS  31 -23.122  14.874  -1.543
   22    HG   CYS  31           HG       CYS  31 -25.044  14.740  -4.084
   23    H    ALA  32           HN       ALA  32 -25.387  12.546   0.710
   24    HA   ALA  32           HA       ALA  32 -24.043  13.813   2.823
   25    HB1  ALA  32           HB1      ALA  32 -25.611  12.650   4.300
   26    HB2  ALA  32           HB2      ALA  32 -26.436  13.311   2.886
   27    HB3  ALA  32           HB3      ALA  32 -26.076  11.587   2.971
   28    H    ASP  33           HN       ASP  33 -24.572  10.302   2.564
   29    HA   ASP  33           HA       ASP  33 -21.744   9.873   3.236
   30    HB2  ASP  33           HB2      ASP  33 -24.136   8.451   4.424
   31    HB3  ASP  33           HB3      ASP  33 -22.510   7.780   4.478
   32    H    VAL  34           HN       VAL  34 -21.119   9.373   1.207
   33    HA   VAL  34           HA       VAL  34 -22.779   8.128  -0.688
   34    HB   VAL  34           HB       VAL  34 -20.980   9.604  -1.372
   35   HG11  VAL  34          HG11      VAL  34 -19.310   9.075   0.302
   36   HG12  VAL  34          HG12      VAL  34 -19.101   7.463  -0.383
   37   HG13  VAL  34          HG13      VAL  34 -18.629   8.884  -1.314
   38   HG21  VAL  34          HG21      VAL  34 -20.033   8.252  -3.201
   39   HG22  VAL  34          HG22      VAL  34 -20.625   6.793  -2.407
   40   HG23  VAL  34          HG23      VAL  34 -21.766   7.999  -3.002
   41    HA   PRO  35           HA       PRO  35 -22.073   3.803   0.388
   42    HB2  PRO  35           HB2      PRO  35 -23.876   3.379  -1.888
   43    HB3  PRO  35           HB3      PRO  35 -24.075   2.888  -0.203
   44    HG2  PRO  35           HG2      PRO  35 -25.573   4.830  -1.288
   45    HG3  PRO  35           HG3      PRO  35 -25.046   4.884   0.404
   46    HD2  PRO  35           HD2      PRO  35 -23.902   6.312  -1.976
   47    HD3  PRO  35           HD3      PRO  35 -24.240   6.936  -0.345
   48    H    LEU  36           HN       LEU  36 -20.770   2.302  -0.587
   49    HA   LEU  36           HA       LEU  36 -19.791   3.030  -3.259
   50    HB2  LEU  36           HB2      LEU  36 -18.198   1.888  -0.968
   51    HB3  LEU  36           HB3      LEU  36 -17.580   2.174  -2.585
   52    HG   LEU  36           HG       LEU  36 -18.630   4.331  -0.749
   53   HD11  LEU  36          HD11      LEU  36 -15.790   3.604  -1.441
   54   HD12  LEU  36          HD12      LEU  36 -16.303   4.989  -0.477
   55   HD13  LEU  36          HD13      LEU  36 -16.573   3.351   0.121
   56   HD21  LEU  36          HD21      LEU  36 -17.642   5.867  -2.356
   57   HD22  LEU  36          HD22      LEU  36 -17.145   4.509  -3.366
   58   HD23  LEU  36          HD23      LEU  36 -18.858   4.851  -3.128
   59    H    LEU  37           HN       LEU  37 -18.700   0.184  -1.529
   60    HA   LEU  37           HA       LEU  37 -20.364  -1.476  -3.304
   61    HB2  LEU  37           HB2      LEU  37 -17.420  -1.820  -2.734
   62    HB3  LEU  37           HB3      LEU  37 -18.415  -3.011  -3.548
   63    HG   LEU  37           HG       LEU  37 -17.852  -0.226  -4.569
   64   HD11  LEU  37          HD11      LEU  37 -16.817  -2.900  -5.499
   65   HD12  LEU  37          HD12      LEU  37 -16.496  -1.338  -6.254
   66   HD13  LEU  37          HD13      LEU  37 -15.884  -1.677  -4.635
   67   HD21  LEU  37          HD21      LEU  37 -20.035  -1.032  -5.271
   68   HD22  LEU  37          HD22      LEU  37 -18.910  -1.030  -6.629
   69   HD23  LEU  37          HD23      LEU  37 -19.315  -2.545  -5.822
   70    H    THR  38           HN       THR  38 -19.635  -3.942  -2.500
   71    HA   THR  38           HA       THR  38 -20.885  -4.208   0.039
   72    HB   THR  38           HB       THR  38 -20.217  -6.644  -0.222
   73    HG1  THR  38           HG1      THR  38 -18.375  -6.146  -1.610
   74   HG21  THR  38          HG21      THR  38 -21.705  -5.327  -2.497
   75   HG22  THR  38          HG22      THR  38 -22.394  -5.838  -0.957
   76   HG23  THR  38          HG23      THR  38 -21.775  -7.039  -2.087
   77    HA   PRO  39           HA       PRO  39 -17.085  -3.491   2.237
   78    HB2  PRO  39           HB2      PRO  39 -18.680  -3.568   4.658
   79    HB3  PRO  39           HB3      PRO  39 -17.863  -2.194   3.904
   80    HG2  PRO  39           HG2      PRO  39 -20.569  -2.445   3.989
   81    HG3  PRO  39           HG3      PRO  39 -19.705  -1.584   2.699
   82    HD2  PRO  39           HD2      PRO  39 -20.839  -4.360   2.695
   83    HD3  PRO  39           HD3      PRO  39 -20.881  -3.120   1.422
   84    H    SER  40           HN       SER  40 -16.904  -5.925   1.486
   85    HA   SER  40           HA       SER  40 -16.698  -7.471   3.982
   86    HB2  SER  40           HB2      SER  40 -16.728  -9.490   2.446
   87    HB3  SER  40           HB3      SER  40 -18.236  -8.581   2.524
   88    HG   SER  40           HG       SER  40 -17.035  -9.235   0.366
   89    H    SER  41           HN       SER  41 -15.142  -7.487   0.735
   90    HA   SER  41           HA       SER  41 -12.645  -8.156   2.075
   91    HB2  SER  41           HB2      SER  41 -13.186  -7.992  -0.894
   92    HB3  SER  41           HB3      SER  41 -11.802  -8.749  -0.105
   93    HG   SER  41           HG       SER  41 -13.381 -10.157   0.946
   94    H    LYS  42           HN       LYS  42 -13.417  -5.876  -0.606
   95    HA   LYS  42           HA       LYS  42 -10.888  -4.577  -0.013
   96    HB2  LYS  42           HB2      LYS  42 -11.429  -5.233  -2.328
   97    HB3  LYS  42           HB3      LYS  42 -12.744  -4.072  -2.327
   98    HG2  LYS  42           HG2      LYS  42 -11.381  -2.306  -2.586
   99    HG3  LYS  42           HG3      LYS  42 -10.102  -2.990  -1.577
  100    HD2  LYS  42           HD2      LYS  42 -10.748  -3.809  -4.420
  101    HD3  LYS  42           HD3      LYS  42  -9.413  -2.763  -3.929
  102    HE2  LYS  42           HE2      LYS  42  -8.588  -4.671  -2.503
  103    HE3  LYS  42           HE3      LYS  42  -9.800  -5.684  -3.285
  104    HZ1  LYS  42           HZ1      LYS  42  -8.744  -4.981  -5.440
  105    HZ2  LYS  42           HZ2      LYS  42  -7.818  -6.009  -4.466
  106    HZ3  LYS  42           HZ3      LYS  42  -7.468  -4.347  -4.519
  107    H    GLU  43           HN       GLU  43 -14.253  -3.878   0.384
  108    HA   GLU  43           HA       GLU  43 -14.261  -1.106   0.210
  109    HB2  GLU  43           HB2      GLU  43 -16.250  -2.646   0.549
  110    HB3  GLU  43           HB3      GLU  43 -15.814  -2.677   2.253
  111    HG2  GLU  43           HG2      GLU  43 -17.597  -1.084   1.797
  112    HG3  GLU  43           HG3      GLU  43 -16.149  -0.295   2.424
  113    H    MET  44           HN       MET  44 -13.084  -3.200   2.718
  114    HA   MET  44           HA       MET  44 -12.763  -1.437   4.817
  115    HB2  MET  44           HB2      MET  44 -11.138  -3.786   3.888
  116    HB3  MET  44           HB3      MET  44 -10.669  -2.862   5.306
  117    HG2  MET  44           HG2      MET  44 -11.914  -4.844   5.924
  118    HG3  MET  44           HG3      MET  44 -12.801  -3.389   6.365
  119    HE1  MET  44           HE1      MET  44 -15.311  -3.309   6.051
  120    HE2  MET  44           HE2      MET  44 -14.744  -2.371   4.669
  121    HE3  MET  44           HE3      MET  44 -16.035  -3.555   4.457
  122    H    MET  45           HN       MET  45 -10.310  -2.173   2.290
  123    HA   MET  45           HA       MET  45  -8.602  -0.049   3.051
  124    HB2  MET  45           HB2      MET  45  -7.330  -0.491   1.124
  125    HB3  MET  45           HB3      MET  45  -7.986  -2.056   1.595
  126    HG2  MET  45           HG2      MET  45  -8.922  -2.292  -0.384
  127    HG3  MET  45           HG3      MET  45  -9.798  -0.774  -0.184
  128    HE1  MET  45           HE1      MET  45  -6.009  -1.533  -0.356
  129    HE2  MET  45           HE2      MET  45  -6.580  -2.491  -1.720
  130    HE3  MET  45           HE3      MET  45  -5.585  -1.061  -2.002
  131    H    SER  46           HN       SER  46 -11.254  -0.267   0.764
  132    HA   SER  46           HA       SER  46 -10.999   2.073  -0.627
  133    HB2  SER  46           HB2      SER  46 -12.737   0.494  -1.127
  134    HB3  SER  46           HB3      SER  46 -13.479   0.722   0.454
  135    HG   SER  46           HG       SER  46 -14.657   2.120  -0.564
  136    H    GLN  47           HN       GLN  47 -12.840   1.722   2.413
  137    HA   GLN  47           HA       GLN  47 -12.864   4.564   2.784
  138    HB2  GLN  47           HB2      GLN  47 -13.904   4.034   4.998
  139    HB3  GLN  47           HB3      GLN  47 -14.763   3.395   3.605
  140    HG2  GLN  47           HG2      GLN  47 -13.783   1.192   4.022
  141    HG3  GLN  47           HG3      GLN  47 -12.939   1.841   5.427
  142   HE21  GLN  47          HE21      GLN  47 -14.936  -0.284   5.213
  143   HE22  GLN  47          HE22      GLN  47 -16.217   0.163   6.283
  144    H    ALA  48           HN       ALA  48 -11.097   1.881   4.348
  145    HA   ALA  48           HA       ALA  48  -9.907   3.585   6.298
  146    HB1  ALA  48           HB1      ALA  48  -8.625   1.675   6.992
  147    HB2  ALA  48           HB2      ALA  48 -10.283   1.167   6.662
  148    HB3  ALA  48           HB3      ALA  48  -9.005   0.825   5.495
  149    H    LEU  49           HN       LEU  49  -8.535   2.032   3.328
  150    HA   LEU  49           HA       LEU  49  -5.904   2.902   3.962
  151    HB2  LEU  49           HB2      LEU  49  -7.234   1.438   1.771
  152    HB3  LEU  49           HB3      LEU  49  -5.850   2.411   1.292
  153    HG   LEU  49           HG       LEU  49  -5.920   0.094   3.182
  154   HD11  LEU  49          HD11      LEU  49  -5.633   0.160   0.538
  155   HD12  LEU  49          HD12      LEU  49  -3.956   0.434   1.006
  156   HD13  LEU  49          HD13      LEU  49  -4.804  -1.012   1.562
  157   HD21  LEU  49          HD21      LEU  49  -3.468   0.535   3.507
  158   HD22  LEU  49          HD22      LEU  49  -3.737   2.137   2.824
  159   HD23  LEU  49          HD23      LEU  49  -4.545   1.674   4.320
  160    H    LYS  50           HN       LYS  50  -8.215   3.829   1.449
  161    HA   LYS  50           HA       LYS  50  -6.579   5.702   0.242
  162    HB2  LYS  50           HB2      LYS  50  -9.597   5.788   0.330
  163    HB3  LYS  50           HB3      LYS  50  -8.553   6.473  -0.911
  164    HG2  LYS  50           HG2      LYS  50  -8.927   3.552  -0.286
  165    HG3  LYS  50           HG3      LYS  50  -9.531   4.416  -1.704
  166    HD2  LYS  50           HD2      LYS  50  -6.603   4.127  -0.995
  167    HD3  LYS  50           HD3      LYS  50  -7.453   3.090  -2.138
  168    HE2  LYS  50           HE2      LYS  50  -7.392   6.079  -2.452
  169    HE3  LYS  50           HE3      LYS  50  -6.095   5.055  -3.068
  170    HZ1  LYS  50           HZ1      LYS  50  -7.629   3.907  -4.456
  171    HZ2  LYS  50           HZ2      LYS  50  -7.840   5.571  -4.722
  172    HZ3  LYS  50           HZ3      LYS  50  -8.958   4.715  -3.779
  173    H    ALA  51           HN       ALA  51  -8.670   5.981   3.008
  174    HA   ALA  51           HA       ALA  51  -8.360   8.836   3.288
  175    HB1  ALA  51           HB1      ALA  51  -9.348   6.814   5.293
  176    HB2  ALA  51           HB2      ALA  51  -9.483   8.570   5.429
  177    HB3  ALA  51           HB3      ALA  51 -10.353   7.714   4.154
  178    H    THR  52           HN       THR  52  -6.844   5.941   4.665
  179    HA   THR  52           HA       THR  52  -5.533   7.397   6.764
  180    HB   THR  52           HB       THR  52  -6.294   4.969   6.895
  181    HG1  THR  52           HG1      THR  52  -4.625   4.499   8.332
  182   HG21  THR  52          HG21      THR  52  -5.307   4.239   4.741
  183   HG22  THR  52          HG22      THR  52  -4.749   3.261   6.101
  184   HG23  THR  52          HG23      THR  52  -3.696   4.499   5.414
  185    H    PHE  53           HN       PHE  53  -4.798   6.855   3.506
  186    HA   PHE  53           HA       PHE  53  -2.149   6.178   3.486
  187    HB2  PHE  53           HB2      PHE  53  -3.760   7.852   1.589
  188    HB3  PHE  53           HB3      PHE  53  -2.062   7.501   1.285
  189    HD1  PHE  53           HD2      PHE  53  -2.092   4.695   2.455
  190    HD2  PHE  53           HD1      PHE  53  -4.677   6.707  -0.250
  191    HE1  PHE  53           HE2      PHE  53  -2.701   2.543   1.441
  192    HE2  PHE  53           HE1      PHE  53  -5.294   4.556  -1.258
  193    HZ   PHE  53           HZ       PHE  53  -4.308   2.471  -0.418
  194    H    SER  54           HN       SER  54  -3.516   9.277   4.212
  195    HA   SER  54           HA       SER  54  -1.248  10.872   3.797
  196    HB2  SER  54           HB2      SER  54  -2.501  12.286   5.644
  197    HB3  SER  54           HB3      SER  54  -3.185  12.113   4.028
  198    HG   SER  54           HG       SER  54  -4.750  10.903   4.796
  199    H    GLY  55           HN       GLY  55  -2.078   8.641   6.291
  200    HA2  GLY  55           HA1      GLY  55  -0.680   9.585   8.487
  201    HA3  GLY  55           HA2      GLY  55  -0.958   7.890   8.127
  202    H    PHE  56           HN       PHE  56   0.594   7.083   6.257
  203    HA   PHE  56           HA       PHE  56   3.196   7.278   7.421
  204    HB2  PHE  56           HB2      PHE  56   2.470   5.183   6.376
  205    HB3  PHE  56           HB3      PHE  56   2.395   5.983   4.808
  206    HD1  PHE  56           HD1      PHE  56   4.650   4.808   7.469
  207    HD2  PHE  56           HD2      PHE  56   4.358   6.401   3.539
  208    HE1  PHE  56           HE1      PHE  56   7.032   4.312   7.094
  209    HE2  PHE  56           HE2      PHE  56   6.733   5.918   3.158
  210    HZ   PHE  56           HZ       PHE  56   8.077   4.864   4.932
  211    H    THR  57           HN       THR  57   1.721   8.522   4.519
  212    HA   THR  57           HA       THR  57   4.090   9.386   3.214
  213    HB   THR  57           HB       THR  57   1.290  10.463   2.964
  214    HG1  THR  57           HG1      THR  57   2.625   8.448   1.440
  215   HG21  THR  57          HG21      THR  57   2.925  11.947   1.923
  216   HG22  THR  57          HG22      THR  57   1.974  11.118   0.690
  217   HG23  THR  57          HG23      THR  57   3.617  10.585   1.042
  218    H    LYS  58           HN       LYS  58   2.317  10.628   5.829
  219    HA   LYS  58           HA       LYS  58   3.216  13.368   5.622
  220    HB2  LYS  58           HB2      LYS  58   1.085  12.873   6.713
  221    HB3  LYS  58           HB3      LYS  58   1.903  11.862   7.895
  222    HG2  LYS  58           HG2      LYS  58   3.068  13.808   8.772
  223    HG3  LYS  58           HG3      LYS  58   2.277  14.829   7.566
  224    HD2  LYS  58           HD2      LYS  58   0.099  14.244   8.501
  225    HD3  LYS  58           HD3      LYS  58   0.886  13.214   9.698
  226    HE2  LYS  58           HE2      LYS  58   1.343  16.174   9.406
  227    HE3  LYS  58           HE3      LYS  58   0.241  15.442  10.570
  228    HZ1  LYS  58           HZ1      LYS  58   3.190  15.098  10.453
  229    HZ2  LYS  58           HZ2      LYS  58   2.168  14.232  11.493
  230    HZ3  LYS  58           HZ3      LYS  58   2.305  15.919  11.645
  231    H    GLU  59           HN       GLU  59   4.011  10.481   7.521
  232    HA   GLU  59           HA       GLU  59   6.153  11.892   8.876
  233    HB2  GLU  59           HB2      GLU  59   5.734  10.433  10.493
  234    HB3  GLU  59           HB3      GLU  59   4.565   9.596   9.471
  235    HG2  GLU  59           HG2      GLU  59   6.044   7.969   8.891
  236    HG3  GLU  59           HG3      GLU  59   7.454   9.017   9.116
  237    H    GLN  60           HN       GLN  60   5.651   9.904   6.167
  238    HA   GLN  60           HA       GLN  60   8.115   8.828   5.558
  239    HB2  GLN  60           HB2      GLN  60   5.894   8.791   4.255
  240    HB3  GLN  60           HB3      GLN  60   6.405  10.324   3.570
  241    HG2  GLN  60           HG2      GLN  60   8.302   9.294   2.538
  242    HG3  GLN  60           HG3      GLN  60   7.941   7.750   3.327
  243   HE21  GLN  60          HE21      GLN  60   8.105   8.412   0.482
  244   HE22  GLN  60          HE22      GLN  60   6.576   7.986  -0.195
  245    H    GLN  61           HN       GLN  61   6.877  12.043   4.869
  246    HA   GLN  61           HA       GLN  61   9.220  13.193   3.802
  247    HB2  GLN  61           HB2      GLN  61   6.940  14.468   5.323
  248    HB3  GLN  61           HB3      GLN  61   8.125  15.347   4.359
  249    HG2  GLN  61           HG2      GLN  61   6.130  13.335   3.336
  250    HG3  GLN  61           HG3      GLN  61   6.058  15.085   3.131
  251   HE21  GLN  61          HE21      GLN  61   7.618  12.145   2.149
  252   HE22  GLN  61          HE22      GLN  61   8.422  12.795   0.766
  253    H    ARG  62           HN       ARG  62   7.997  12.871   7.062
  254    HA   ARG  62           HA       ARG  62   9.832  14.555   8.392
  255    HB2  ARG  62           HB2      ARG  62   7.597  13.646   9.201
  256    HB3  ARG  62           HB3      ARG  62   8.419  12.128   9.511
  257    HG2  ARG  62           HG2      ARG  62   9.320  14.699  10.761
  258    HG3  ARG  62           HG3      ARG  62   8.043  13.700  11.461
  259    HD2  ARG  62           HD2      ARG  62  10.829  12.723  10.842
  260    HD3  ARG  62           HD3      ARG  62  10.299  13.286  12.427
  261    HE   ARG  62           HE       ARG  62   8.665  11.181  11.323
  262   HH11  ARG  62          HH12      ARG  62  11.517  11.912  13.206
  263   HH12  ARG  62          HH11      ARG  62  11.492  10.404  14.072
  264   HH21  ARG  62          HH22      ARG  62   8.627   9.189  12.428
  265   HH22  ARG  62          HH21      ARG  62   9.871   8.834  13.599
  266    H    LEU  63           HN       LEU  63   9.753  11.087   7.766
  267    HA   LEU  63           HA       LEU  63  12.280  10.511   8.946
  268    HB2  LEU  63           HB2      LEU  63  10.523   8.961   7.078
  269    HB3  LEU  63           HB3      LEU  63  11.992   8.320   7.790
  270    HG   LEU  63           HG       LEU  63   9.716   9.343   9.474
  271   HD11  LEU  63          HD11      LEU  63  10.188   6.515   8.539
  272   HD12  LEU  63          HD12      LEU  63   8.970   7.042   9.704
  273   HD13  LEU  63          HD13      LEU  63   8.869   7.567   8.023
  274   HD21  LEU  63          HD21      LEU  63  11.848   9.151  10.604
  275   HD22  LEU  63          HD22      LEU  63  10.761   7.878  11.161
  276   HD23  LEU  63          HD23      LEU  63  12.043   7.502  10.010
  277    H    GLY  64           HN       GLY  64  11.728  12.322   6.370
  278    HA2  GLY  64           HA1      GLY  64  13.054  12.994   4.617
  279    HA3  GLY  64           HA2      GLY  64  14.358  12.064   5.348
  280    H    ILE  65           HN       ILE  65  11.381  10.504   4.669
  281    HA   ILE  65           HA       ILE  65  12.725   8.821   2.766
  282    HB   ILE  65           HB       ILE  65   9.920   8.595   3.862
  283   HG12  ILE  65          HG12      ILE  65  12.477   7.142   4.571
  284   HG13  ILE  65          HG13      ILE  65  11.559   8.229   5.609
  285   HG21  ILE  65          HG21      ILE  65  10.120   7.556   1.663
  286   HG22  ILE  65          HG22      ILE  65  11.526   6.640   2.208
  287   HG23  ILE  65          HG23      ILE  65   9.940   6.332   2.917
  288   HD11  ILE  65          HD11      ILE  65   9.698   6.643   5.610
  289   HD12  ILE  65          HD12      ILE  65  10.638   5.547   4.590
  290   HD13  ILE  65          HD13      ILE  65  11.183   5.919   6.228
  291    HA   PRO  66           HA       PRO  66  11.296  11.356  -0.685
  292    HB2  PRO  66           HB2      PRO  66  11.540   9.110  -2.392
  293    HB3  PRO  66           HB3      PRO  66  12.691  10.429  -2.193
  294    HG2  PRO  66           HG2      PRO  66  12.696   7.716  -1.012
  295    HG3  PRO  66           HG3      PRO  66  14.060   8.783  -1.392
  296    HD2  PRO  66           HD2      PRO  66  13.246   8.346   1.131
  297    HD3  PRO  66           HD3      PRO  66  13.879   9.924   0.609
  298    H    LYS  67           HN       LYS  67   9.337  11.687  -1.446
  299    HA   LYS  67           HA       LYS  67   7.094  10.331  -0.543
  300    HB2  LYS  67           HB2      LYS  67   5.954  11.636  -2.501
  301    HB3  LYS  67           HB3      LYS  67   6.657  12.506  -1.144
  302    HG2  LYS  67           HG2      LYS  67   8.197  13.495  -2.422
  303    HG3  LYS  67           HG3      LYS  67   8.536  12.020  -3.327
  304    HD2  LYS  67           HD2      LYS  67   6.128  13.777  -3.763
  305    HD3  LYS  67           HD3      LYS  67   7.614  13.863  -4.713
  306    HE2  LYS  67           HE2      LYS  67   7.133  11.252  -4.933
  307    HE3  LYS  67           HE3      LYS  67   5.477  11.810  -4.697
  308    HZ1  LYS  67           HZ1      LYS  67   5.697  13.263  -6.574
  309    HZ2  LYS  67           HZ2      LYS  67   6.146  11.688  -7.039
  310    HZ3  LYS  67           HZ3      LYS  67   7.338  12.860  -6.755
  311    H    ASP  68           HN       ASP  68   8.644  10.056  -3.730
  312    HA   ASP  68           HA       ASP  68   6.688   8.138  -4.677
  313    HB2  ASP  68           HB2      ASP  68   8.800   9.707  -5.836
  314    HB3  ASP  68           HB3      ASP  68   9.075   8.015  -6.240
  315    HA   PRO  69           HA       PRO  69   8.872   4.601  -3.174
  316    HB2  PRO  69           HB2      PRO  69   7.867   2.672  -4.710
  317    HB3  PRO  69           HB3      PRO  69   6.845   3.607  -3.613
  318    HG2  PRO  69           HG2      PRO  69   7.066   3.742  -6.566
  319    HG3  PRO  69           HG3      PRO  69   5.678   4.087  -5.522
  320    HD2  PRO  69           HD2      PRO  69   7.473   5.951  -6.683
  321    HD3  PRO  69           HD3      PRO  69   6.180   6.284  -5.512
  322    H    ARG  70           HN       ARG  70   9.294   5.178  -6.625
  323    HA   ARG  70           HA       ARG  70  10.880   2.887  -7.128
  324    HB2  ARG  70           HB2      ARG  70  11.544   4.671  -9.142
  325    HB3  ARG  70           HB3      ARG  70  10.286   3.447  -9.184
  326    HG2  ARG  70           HG2      ARG  70   9.548   6.013  -7.943
  327    HG3  ARG  70           HG3      ARG  70   9.865   6.045  -9.680
  328    HD2  ARG  70           HD2      ARG  70   8.276   4.132  -9.930
  329    HD3  ARG  70           HD3      ARG  70   7.869   4.299  -8.217
  330    HE   ARG  70           HE       ARG  70   7.163   6.642  -8.816
  331   HH11  ARG  70          HH12      ARG  70   7.160   4.061 -11.197
  332   HH12  ARG  70          HH11      ARG  70   5.972   4.821 -12.204
  333   HH21  ARG  70          HH22      ARG  70   5.608   7.654 -10.159
  334   HH22  ARG  70          HH21      ARG  70   5.097   6.862 -11.626
  335    H    GLN  71           HN       GLN  71  11.816   5.239  -5.194
  336    HA   GLN  71           HA       GLN  71  14.625   4.871  -5.953
  337    HB2  GLN  71           HB2      GLN  71  15.191   7.143  -5.623
  338    HB3  GLN  71           HB3      GLN  71  13.701   7.188  -6.557
  339    HG2  GLN  71           HG2      GLN  71  13.927   7.579  -3.585
  340    HG3  GLN  71           HG3      GLN  71  13.700   8.846  -4.788
  341   HE21  GLN  71          HE21      GLN  71  12.226   6.034  -3.282
  342   HE22  GLN  71          HE22      GLN  71  10.590   6.486  -3.624
  343    H    TRP  72           HN       TRP  72  12.596   3.866  -3.846
  344    HA   TRP  72           HA       TRP  72  13.661   4.722  -1.350
  345    HB2  TRP  72           HB2      TRP  72  11.693   2.669  -2.311
  346    HB3  TRP  72           HB3      TRP  72  12.293   2.570  -0.655
  347    HD1  TRP  72           HD1      TRP  72  12.231   6.079  -0.973
  348    HE1  TRP  72           HE1      TRP  72   9.977   7.097  -0.282
  349    HE3  TRP  72           HE3      TRP  72   9.373   1.866  -1.114
  350    HZ2  TRP  72           HZ2      TRP  72   7.319   6.214   0.156
  351    HZ3  TRP  72           HZ3      TRP  72   6.992   2.032  -0.548
  352    HH2  TRP  72           HH2      TRP  72   5.989   4.157   0.070
  353    H    THR  73           HN       THR  73  14.673   3.319   0.222
  354    HA   THR  73           HA       THR  73  16.374   1.247  -0.881
  355    HB   THR  73           HB       THR  73  17.319   1.205   1.423
  356    HG1  THR  73           HG1      THR  73  16.297   2.183   3.013
  357   HG21  THR  73          HG21      THR  73  18.224   2.766  -0.271
  358   HG22  THR  73          HG22      THR  73  18.361   3.408   1.366
  359   HG23  THR  73          HG23      THR  73  17.096   4.001   0.289
  360    H    GLU  74           HN       GLU  74  16.499  -0.836   0.578
  361    HA   GLU  74           HA       GLU  74  14.021  -2.127   0.618
  362    HB2  GLU  74           HB2      GLU  74  16.432  -2.783   2.327
  363    HB3  GLU  74           HB3      GLU  74  15.069  -3.850   2.026
  364    HG2  GLU  74           HG2      GLU  74  16.676  -4.640   0.576
  365    HG3  GLU  74           HG3      GLU  74  15.703  -3.592  -0.457
  366    H    THR  75           HN       THR  75  15.606  -0.121   2.985
  367    HA   THR  75           HA       THR  75  13.972  -0.781   5.205
  368    HB   THR  75           HB       THR  75  14.803   1.904   5.451
  369    HG1  THR  75           HG1      THR  75  17.212   1.026   4.977
  370   HG21  THR  75          HG21      THR  75  16.369   0.966   7.089
  371   HG22  THR  75          HG22      THR  75  16.072  -0.648   6.443
  372   HG23  THR  75          HG23      THR  75  14.767   0.241   7.228
  373    H    HIS  76           HN       HIS  76  13.757   1.665   2.647
  374    HA   HIS  76           HA       HIS  76  11.700   3.159   3.973
  375    HB2  HIS  76           HB2      HIS  76  12.793   3.268   1.156
  376    HB3  HIS  76           HB3      HIS  76  11.532   4.342   1.741
  377    HD1  HIS  76           HD1      HIS  76  14.376   5.294   0.772
  378    HD2  HIS  76           HD2      HIS  76  13.179   4.772   4.711
  379    HE1  HIS  76           HE1      HIS  76  15.887   6.762   2.124
  380    HE2  HIS  76           HE2      HIS  76  15.014   6.581   4.482
  381    H    VAL  77           HN       VAL  77  11.861   0.802   1.371
  382    HA   VAL  77           HA       VAL  77   9.184   0.865   0.599
  383    HB   VAL  77           HB       VAL  77  11.278  -1.304   0.446
  384   HG11  VAL  77          HG11      VAL  77   9.801  -2.493  -1.080
  385   HG12  VAL  77          HG12      VAL  77   9.053  -2.325   0.510
  386   HG13  VAL  77          HG13      VAL  77   8.542  -1.286  -0.823
  387   HG21  VAL  77          HG21      VAL  77  11.707   0.697  -0.914
  388   HG22  VAL  77          HG22      VAL  77  11.337  -0.692  -1.941
  389   HG23  VAL  77          HG23      VAL  77  10.113   0.547  -1.649
  390    H    ARG  78           HN       ARG  78  10.927  -1.296   2.838
  391    HA   ARG  78           HA       ARG  78   8.683  -2.792   3.611
  392    HB2  ARG  78           HB2      ARG  78  11.366  -2.310   4.835
  393    HB3  ARG  78           HB3      ARG  78  10.151  -3.255   5.688
  394    HG2  ARG  78           HG2      ARG  78  10.018  -4.803   3.800
  395    HG3  ARG  78           HG3      ARG  78  11.234  -3.856   2.939
  396    HD2  ARG  78           HD2      ARG  78  11.672  -5.177   5.614
  397    HD3  ARG  78           HD3      ARG  78  12.144  -5.878   4.065
  398    HE   ARG  78           HE       ARG  78  13.222  -3.285   4.302
  399   HH11  ARG  78          HH12      ARG  78  13.622  -6.516   5.601
  400   HH12  ARG  78          HH11      ARG  78  15.317  -6.307   5.925
  401   HH21  ARG  78          HH22      ARG  78  15.459  -3.021   4.754
  402   HH22  ARG  78          HH21      ARG  78  16.352  -4.334   5.456
  403    H    ASP  79           HN       ASP  79  10.012   0.205   4.884
  404    HA   ASP  79           HA       ASP  79   8.553   0.471   7.240
  405    HB2  ASP  79           HB2      ASP  79   9.844   2.277   5.306
  406    HB3  ASP  79           HB3      ASP  79   8.558   3.023   6.253
  407    H    TRP  80           HN       TRP  80   7.733   1.445   3.942
  408    HA   TRP  80           HA       TRP  80   5.132   2.419   4.639
  409    HB2  TRP  80           HB2      TRP  80   6.009   3.514   2.809
  410    HB3  TRP  80           HB3      TRP  80   6.836   2.078   2.218
  411    HD1  TRP  80           HD1      TRP  80   3.512   3.924   1.988
  412    HE1  TRP  80           HE1      TRP  80   2.215   2.937  -0.002
  413    HE3  TRP  80           HE3      TRP  80   6.498  -0.078   0.948
  414    HZ2  TRP  80           HZ2      TRP  80   2.424   0.772  -1.783
  415    HZ3  TRP  80           HZ3      TRP  80   5.883  -1.565  -0.904
  416    HH2  TRP  80           HH2      TRP  80   3.882  -1.153  -2.237
  417    H    VAL  81           HN       VAL  81   6.592  -0.498   3.583
  418    HA   VAL  81           HA       VAL  81   4.387  -1.890   2.530
  419    HB   VAL  81           HB       VAL  81   7.109  -2.569   3.522
  420   HG11  VAL  81          HG11      VAL  81   5.819  -4.309   4.623
  421   HG12  VAL  81          HG12      VAL  81   5.046  -4.716   3.090
  422   HG13  VAL  81          HG13      VAL  81   6.780  -4.965   3.297
  423   HG21  VAL  81          HG21      VAL  81   5.560  -3.233   1.031
  424   HG22  VAL  81          HG22      VAL  81   6.811  -2.000   1.211
  425   HG23  VAL  81          HG23      VAL  81   7.229  -3.709   1.336
  426    H    MET  82           HN       MET  82   5.963  -2.185   5.681
  427    HA   MET  82           HA       MET  82   3.779  -3.630   6.788
  428    HB2  MET  82           HB2      MET  82   4.950  -3.509   8.900
  429    HB3  MET  82           HB3      MET  82   6.041  -3.948   7.599
  430    HG2  MET  82           HG2      MET  82   6.834  -1.616   7.523
  431    HG3  MET  82           HG3      MET  82   5.813  -1.262   8.919
  432    HE1  MET  82           HE1      MET  82   6.233  -4.315  10.266
  433    HE2  MET  82           HE2      MET  82   7.406  -3.874  11.506
  434    HE3  MET  82           HE3      MET  82   6.021  -2.829  11.194
  435    H    TRP  83           HN       TRP  83   4.145  -0.249   6.272
  436    HA   TRP  83           HA       TRP  83   2.636   0.561   8.559
  437    HB2  TRP  83           HB2      TRP  83   3.930   2.245   7.373
  438    HB3  TRP  83           HB3      TRP  83   3.031   1.956   5.886
  439    HD1  TRP  83           HD1      TRP  83   2.646   3.586   9.334
  440    HE1  TRP  83           HE1      TRP  83   0.669   5.235   9.233
  441    HE3  TRP  83           HE3      TRP  83   0.890   2.426   4.692
  442    HZ2  TRP  83           HZ2      TRP  83  -1.370   5.943   7.398
  443    HZ3  TRP  83           HZ3      TRP  83  -1.069   3.626   3.834
  444    HH2  TRP  83           HH2      TRP  83  -2.173   5.343   5.158
  445    H    ALA  84           HN       ALA  84   1.561   0.260   5.128
  446    HA   ALA  84           HA       ALA  84  -1.169   0.593   5.783
  447    HB1  ALA  84           HB1      ALA  84  -0.331   0.784   3.471
  448    HB2  ALA  84           HB2      ALA  84  -0.031  -0.955   3.444
  449    HB3  ALA  84           HB3      ALA  84  -1.683  -0.346   3.596
  450    H    VAL  85           HN       VAL  85   0.933  -2.169   5.575
  451    HA   VAL  85           HA       VAL  85  -0.827  -4.225   6.187
  452    HB   VAL  85           HB       VAL  85   2.109  -3.783   6.528
  453   HG11  VAL  85          HG11      VAL  85   0.673  -6.224   7.575
  454   HG12  VAL  85          HG12      VAL  85   2.421  -6.028   7.438
  455   HG13  VAL  85          HG13      VAL  85   1.507  -5.018   8.558
  456   HG21  VAL  85          HG21      VAL  85   0.464  -5.833   5.067
  457   HG22  VAL  85          HG22      VAL  85   1.226  -4.404   4.366
  458   HG23  VAL  85          HG23      VAL  85   2.223  -5.702   5.024
  459    H    ASN  86           HN       ASN  86   1.163  -2.322   8.543
  460    HA   ASN  86           HA       ASN  86   0.090  -3.771  10.709
  461    HB2  ASN  86           HB2      ASN  86   1.493  -2.649  12.082
  462    HB3  ASN  86           HB3      ASN  86   2.291  -2.384  10.547
  463   HD21  ASN  86          HD21      ASN  86   0.429  -0.345   9.646
  464   HD22  ASN  86          HD22      ASN  86   0.758   1.067  10.615
  465    H    GLU  87           HN       GLU  87  -1.139  -1.218   8.935
  466    HA   GLU  87           HA       GLU  87  -2.754  -0.005  10.993
  467    HB2  GLU  87           HB2      GLU  87  -2.169   1.398   9.140
  468    HB3  GLU  87           HB3      GLU  87  -2.658   0.177   7.975
  469    HG2  GLU  87           HG2      GLU  87  -4.298   1.870   7.931
  470    HG3  GLU  87           HG3      GLU  87  -5.010   0.495   8.773
  471    H    PHE  88           HN       PHE  88  -2.990  -2.294   8.417
  472    HA   PHE  88           HA       PHE  88  -5.768  -2.904   8.894
  473    HB2  PHE  88           HB2      PHE  88  -3.673  -3.494   6.893
  474    HB3  PHE  88           HB3      PHE  88  -4.933  -4.720   7.101
  475    HD1  PHE  88           HD1      PHE  88  -7.321  -4.107   6.783
  476    HD2  PHE  88           HD2      PHE  88  -4.138  -1.475   5.773
  477    HE1  PHE  88           HE1      PHE  88  -8.862  -2.790   5.389
  478    HE2  PHE  88           HE2      PHE  88  -5.668  -0.157   4.378
  479    HZ   PHE  88           HZ       PHE  88  -8.033  -0.809   4.191
  480    H    SER  89           HN       SER  89  -2.976  -3.797  10.396
  481    HA   SER  89           HA       SER  89  -2.199  -5.574  11.544
  482    HB2  SER  89           HB2      SER  89  -5.124  -6.364  11.558
  483    HB3  SER  89           HB3      SER  89  -3.875  -7.106  12.558
  484    HG   SER  89           HG       SER  89  -5.121  -4.631  12.791
  485    H    LEU  90           HN       LEU  90  -1.953  -5.660   8.768
  486    HA   LEU  90           HA       LEU  90  -2.519  -8.379   7.898
  487    HB2  LEU  90           HB2      LEU  90  -0.657  -6.467   6.511
  488    HB3  LEU  90           HB3      LEU  90  -1.641  -7.734   5.800
  489    HG   LEU  90           HG       LEU  90  -2.717  -5.149   6.957
  490   HD11  LEU  90          HD11      LEU  90  -1.305  -4.853   4.966
  491   HD12  LEU  90          HD12      LEU  90  -2.334  -5.982   4.085
  492   HD13  LEU  90          HD13      LEU  90  -3.001  -4.455   4.667
  493   HD21  LEU  90          HD21      LEU  90  -4.323  -6.999   7.039
  494   HD22  LEU  90          HD22      LEU  90  -4.785  -5.841   5.791
  495   HD23  LEU  90          HD23      LEU  90  -4.018  -7.365   5.340
  496    H    LYS  91           HN       LYS  91  -0.679  -7.287  10.123
  497    HA   LYS  91           HA       LYS  91   1.971  -7.778   9.625
  498    HB2  LYS  91           HB2      LYS  91   0.543  -8.300  12.228
  499    HB3  LYS  91           HB3      LYS  91   2.242  -7.914  12.012
  500    HG2  LYS  91           HG2      LYS  91   1.533  -5.703  11.069
  501    HG3  LYS  91           HG3      LYS  91  -0.116  -6.100  11.549
  502    HD2  LYS  91           HD2      LYS  91   0.742  -4.785  13.299
  503    HD3  LYS  91           HD3      LYS  91   0.812  -6.448  13.888
  504    HE2  LYS  91           HE2      LYS  91   3.192  -6.528  13.147
  505    HE3  LYS  91           HE3      LYS  91   3.075  -4.809  12.771
  506    HZ1  LYS  91           HZ1      LYS  91   2.599  -4.348  15.076
  507    HZ2  LYS  91           HZ2      LYS  91   4.048  -5.226  14.961
  508    HZ3  LYS  91           HZ3      LYS  91   2.622  -6.000  15.455
  509    H    GLY  92           HN       GLY  92   1.078  -9.814   8.198
  510    HA2  GLY  92           HA1      GLY  92   2.638 -11.924   9.472
  511    HA3  GLY  92           HA2      GLY  92   1.124 -12.333   8.649
  512    H    VAL  93           HN       VAL  93   3.074  -9.663   7.708
  513    HA   VAL  93           HA       VAL  93   3.256 -10.560   4.986
  514    HB   VAL  93           HB       VAL  93   3.430  -8.052   6.398
  515   HG11  VAL  93          HG11      VAL  93   5.698  -8.550   4.478
  516   HG12  VAL  93          HG12      VAL  93   5.223  -6.980   5.128
  517   HG13  VAL  93          HG13      VAL  93   5.845  -8.227   6.208
  518   HG21  VAL  93          HG21      VAL  93   1.995  -8.609   4.466
  519   HG22  VAL  93          HG22      VAL  93   2.941  -7.136   4.236
  520   HG23  VAL  93          HG23      VAL  93   3.441  -8.633   3.449
  521    H    ASP  94           HN       ASP  94   5.037 -11.414   3.999
  522    HA   ASP  94           HA       ASP  94   7.227 -12.128   5.757
  523    HB2  ASP  94           HB2      ASP  94   6.332 -13.751   4.058
  524    HB3  ASP  94           HB3      ASP  94   6.969 -12.695   2.796
  525    H    PHE  95           HN       PHE  95   8.527 -10.473   6.195
  526    HA   PHE  95           HA       PHE  95   8.714  -8.190   4.572
  527    HB2  PHE  95           HB2      PHE  95  10.596  -9.115   6.756
  528    HB3  PHE  95           HB3      PHE  95  10.543  -7.494   6.073
  529    HD1  PHE  95           HD1      PHE  95   8.478  -6.121   6.377
  530    HD2  PHE  95           HD2      PHE  95   9.145  -9.752   8.490
  531    HE1  PHE  95           HE1      PHE  95   6.781  -5.469   8.031
  532    HE2  PHE  95           HE2      PHE  95   7.448  -9.106  10.149
  533    HZ   PHE  95           HZ       PHE  95   6.261  -6.959   9.917
  534    H    GLN  96           HN       GLN  96  10.305 -11.190   4.485
  535    HA   GLN  96           HA       GLN  96  12.654 -10.308   3.073
  536    HB2  GLN  96           HB2      GLN  96  11.504 -13.041   3.618
  537    HB3  GLN  96           HB3      GLN  96  13.007 -12.777   2.745
  538    HG2  GLN  96           HG2      GLN  96  12.459 -11.895   5.570
  539    HG3  GLN  96           HG3      GLN  96  13.372 -13.330   5.103
  540   HE21  GLN  96          HE21      GLN  96  13.368  -9.863   5.277
  541   HE22  GLN  96          HE22      GLN  96  15.047  -9.637   4.923
  542    H    LYS  97           HN       LYS  97   9.487 -11.573   2.273
  543    HA   LYS  97           HA       LYS  97  10.032 -11.860  -0.528
  544    HB2  LYS  97           HB2      LYS  97   8.010 -12.686   1.132
  545    HB3  LYS  97           HB3      LYS  97   7.258 -11.316   0.332
  546    HG2  LYS  97           HG2      LYS  97   8.544 -13.596  -1.144
  547    HG3  LYS  97           HG3      LYS  97   6.834 -13.536  -0.721
  548    HD2  LYS  97           HD2      LYS  97   6.632 -11.425  -1.997
  549    HD3  LYS  97           HD3      LYS  97   8.322 -11.593  -2.483
  550    HE2  LYS  97           HE2      LYS  97   6.735 -12.398  -4.197
  551    HE3  LYS  97           HE3      LYS  97   7.830 -13.657  -3.630
  552    HZ1  LYS  97           HZ1      LYS  97   5.460 -14.351  -3.850
  553    HZ2  LYS  97           HZ2      LYS  97   5.075 -13.297  -2.583
  554    HZ3  LYS  97           HZ3      LYS  97   6.115 -14.603  -2.308
  555    H    PHE  98           HN       PHE  98   9.292  -9.392   1.686
  556    HA   PHE  98           HA       PHE  98   8.430  -7.472  -0.325
  557    HB2  PHE  98           HB2      PHE  98   8.346  -7.635   2.638
  558    HB3  PHE  98           HB3      PHE  98   8.383  -6.035   1.901
  559    HD1  PHE  98           HD1      PHE  98   6.597  -5.304   0.445
  560    HD2  PHE  98           HD2      PHE  98   6.409  -9.044   2.462
  561    HE1  PHE  98           HE1      PHE  98   4.192  -5.415  -0.005
  562    HE2  PHE  98           HE2      PHE  98   4.000  -9.167   1.996
  563    HZ   PHE  98           HZ       PHE  98   2.893  -7.343   0.772
  564    H    CYS  99           HN       CYS  99  11.282  -8.589   0.303
  565    HA   CYS  99           HA       CYS  99  12.799  -6.283   1.004
  566    HB2  CYS  99           HB2      CYS  99  13.464  -8.937  -0.210
  567    HB3  CYS  99           HB3      CYS  99  14.689  -7.694   0.006
  568    HG   CYS  99           HG       CYS  99  15.267  -8.374   2.413
  569    H    MET 100           HN       MET 100  11.809  -4.761  -0.466
  570    HA   MET 100           HA       MET 100  13.039  -4.918  -3.126
  571    HB2  MET 100           HB2      MET 100  10.421  -3.725  -2.271
  572    HB3  MET 100           HB3      MET 100  11.257  -3.096  -3.684
  573    HG2  MET 100           HG2      MET 100   9.827  -4.604  -4.624
  574    HG3  MET 100           HG3      MET 100  11.301  -5.571  -4.431
  575    HE1  MET 100           HE1      MET 100   7.737  -5.827  -1.509
  576    HE2  MET 100           HE2      MET 100   8.863  -4.469  -1.558
  577    HE3  MET 100           HE3      MET 100   7.769  -4.755  -2.911
  578    H    SER 101           HN       SER 101  14.541  -3.456  -3.543
  579    HA   SER 101           HA       SER 101  14.712  -0.973  -2.112
  580    HB2  SER 101           HB2      SER 101  15.799  -1.608  -4.877
  581    HB3  SER 101           HB3      SER 101  16.366  -0.355  -3.771
  582    HG   SER 101           HG       SER 101  16.991  -2.085  -2.326
  583    H    GLY 102           HN       GLY 102  13.955   1.101  -3.104
  584    HA2  GLY 102           HA1      GLY 102  11.306   0.924  -3.787
  585    HA3  GLY 102           HA2      GLY 102  12.303   2.332  -4.083
  586    H    ALA 103           HN       ALA 103  14.037   1.210  -6.078
  587    HA   ALA 103           HA       ALA 103  12.448   1.497  -8.391
  588    HB1  ALA 103           HB1      ALA 103  14.407   0.770  -9.636
  589    HB2  ALA 103           HB2      ALA 103  14.863   1.915  -8.375
  590    HB3  ALA 103           HB3      ALA 103  15.156   0.190  -8.149
  591    H    ALA 104           HN       ALA 104  13.545  -1.293  -6.586
  592    HA   ALA 104           HA       ALA 104  12.472  -3.264  -8.340
  593    HB1  ALA 104           HB1      ALA 104  13.196  -3.437  -5.414
  594    HB2  ALA 104           HB2      ALA 104  12.839  -4.809  -6.468
  595    HB3  ALA 104           HB3      ALA 104  14.259  -3.808  -6.775
  596    H    LEU 105           HN       LEU 105  11.337  -1.746  -5.266
  597    HA   LEU 105           HA       LEU 105   8.931  -2.840  -4.926
  598    HB2  LEU 105           HB2      LEU 105   9.860  -1.040  -3.536
  599    HB3  LEU 105           HB3      LEU 105   9.561   0.123  -4.823
  600    HG   LEU 105           HG       LEU 105   7.139  -0.396  -4.660
  601   HD11  LEU 105          HD11      LEU 105   7.109  -2.569  -3.745
  602   HD12  LEU 105          HD12      LEU 105   8.075  -2.070  -2.350
  603   HD13  LEU 105          HD13      LEU 105   6.413  -1.500  -2.523
  604   HD21  LEU 105          HD21      LEU 105   6.745   0.841  -2.620
  605   HD22  LEU 105          HD22      LEU 105   8.407   0.543  -2.103
  606   HD23  LEU 105          HD23      LEU 105   8.091   1.533  -3.528
  607    H    CYS 106           HN       CYS 106   9.588  -0.169  -7.041
  608    HA   CYS 106           HA       CYS 106   7.095  -0.057  -8.266
  609    HB2  CYS 106           HB2      CYS 106   8.736   1.748  -8.302
  610    HB3  CYS 106           HB3      CYS 106   9.800   0.767  -9.299
  611    HG   CYS 106           HG       CYS 106   8.312   0.889 -11.576
  612    H    ALA 107           HN       ALA 107  10.122  -1.568  -9.424
  613    HA   ALA 107           HA       ALA 107   9.320  -2.367 -11.905
  614    HB1  ALA 107           HB1      ALA 107  11.618  -2.458 -11.082
  615    HB2  ALA 107           HB2      ALA 107  11.204  -3.859 -10.095
  616    HB3  ALA 107           HB3      ALA 107  11.130  -3.967 -11.852
  617    H    LEU 108           HN       LEU 108   8.484  -3.982  -8.875
  618    HA   LEU 108           HA       LEU 108   7.936  -6.497  -9.955
  619    HB2  LEU 108           HB2      LEU 108   6.300  -6.697  -7.970
  620    HB3  LEU 108           HB3      LEU 108   8.015  -6.563  -7.664
  621    HG   LEU 108           HG       LEU 108   7.639  -4.110  -7.184
  622   HD11  LEU 108          HD11      LEU 108   5.309  -3.494  -6.500
  623   HD12  LEU 108          HD12      LEU 108   5.533  -3.676  -8.240
  624   HD13  LEU 108          HD13      LEU 108   4.742  -4.955  -7.319
  625   HD21  LEU 108          HD21      LEU 108   7.995  -5.712  -5.438
  626   HD22  LEU 108          HD22      LEU 108   6.746  -4.573  -4.937
  627   HD23  LEU 108          HD23      LEU 108   6.300  -6.191  -5.477
  628    H    GLY 109           HN       GLY 109   5.912  -3.613  -9.839
  629    HA2  GLY 109           HA1      GLY 109   3.920  -3.154 -10.910
  630    HA3  GLY 109           HA2      GLY 109   4.120  -4.651 -11.814
  631    H    LYS 110           HN       LYS 110   1.624  -3.847 -10.912
  632    HA   LYS 110           HA       LYS 110   0.814  -4.763  -8.438
  633    HB2  LYS 110           HB2      LYS 110  -1.185  -4.094  -9.181
  634    HB3  LYS 110           HB3      LYS 110  -0.458  -3.819 -10.752
  635    HG2  LYS 110           HG2      LYS 110  -2.264  -5.139 -11.279
  636    HG3  LYS 110           HG3      LYS 110  -0.969  -6.326 -11.148
  637    HD2  LYS 110           HD2      LYS 110  -1.932  -6.204  -8.588
  638    HD3  LYS 110           HD3      LYS 110  -3.390  -6.012  -9.565
  639    HE2  LYS 110           HE2      LYS 110  -1.373  -8.258  -9.794
  640    HE3  LYS 110           HE3      LYS 110  -2.966  -8.371  -9.052
  641    HZ1  LYS 110           HZ1      LYS 110  -3.936  -7.807 -11.233
  642    HZ2  LYS 110           HZ2      LYS 110  -3.050  -9.254 -11.261
  643    HZ3  LYS 110           HZ3      LYS 110  -2.382  -7.839 -11.921
  644    H    GLU 111           HN       GLU 111   0.986  -6.646 -11.473
  645    HA   GLU 111           HA       GLU 111  -0.008  -9.040 -10.755
  646    HB2  GLU 111           HB2      GLU 111   2.632  -8.937 -12.195
  647    HB3  GLU 111           HB3      GLU 111   1.304 -10.058 -12.432
  648    HG2  GLU 111           HG2      GLU 111   1.334  -7.149 -13.202
  649    HG3  GLU 111           HG3      GLU 111   1.497  -8.522 -14.287
  650    H    CYS 112           HN       CYS 112   3.309  -8.011 -10.096
  651    HA   CYS 112           HA       CYS 112   3.965 -10.511  -8.840
  652    HB2  CYS 112           HB2      CYS 112   5.661  -9.245 -10.110
  653    HB3  CYS 112           HB3      CYS 112   5.562  -7.949  -8.922
  654    HG   CYS 112           HG       CYS 112   6.177 -10.788  -7.368
  655    H    PHE 113           HN       PHE 113   3.524  -7.146  -7.756
  656    HA   PHE 113           HA       PHE 113   4.156  -7.470  -5.105
  657    HB2  PHE 113           HB2      PHE 113   3.518  -5.332  -6.446
  658    HB3  PHE 113           HB3      PHE 113   1.880  -5.678  -5.905
  659    HD1  PHE 113           HD2      PHE 113   1.628  -6.127  -3.361
  660    HD2  PHE 113           HD1      PHE 113   4.898  -3.987  -5.085
  661    HE1  PHE 113           HE2      PHE 113   2.116  -5.122  -1.190
  662    HE2  PHE 113           HE1      PHE 113   5.379  -2.998  -2.895
  663    HZ   PHE 113           HZ       PHE 113   4.000  -3.568  -0.944
  664    H    LEU 114           HN       LEU 114   1.007  -8.116  -6.642
  665    HA   LEU 114           HA       LEU 114  -0.224  -8.476  -4.072
  666    HB2  LEU 114           HB2      LEU 114  -1.445  -9.471  -6.605
  667    HB3  LEU 114           HB3      LEU 114  -2.231  -8.917  -5.138
  668    HG   LEU 114           HG       LEU 114  -1.159  -7.371  -7.425
  669   HD11  LEU 114          HD11      LEU 114  -3.550  -7.218  -5.617
  670   HD12  LEU 114          HD12      LEU 114  -3.186  -6.020  -6.863
  671   HD13  LEU 114          HD13      LEU 114  -3.499  -7.696  -7.314
  672   HD21  LEU 114          HD21      LEU 114  -1.394  -6.141  -4.691
  673   HD22  LEU 114          HD22      LEU 114   0.133  -6.520  -5.496
  674   HD23  LEU 114          HD23      LEU 114  -0.966  -5.333  -6.205
  675    H    GLU 115           HN       GLU 115   1.305 -10.538  -6.415
  676    HA   GLU 115           HA       GLU 115   0.585 -12.943  -5.040
  677    HB2  GLU 115           HB2      GLU 115   2.859 -12.387  -6.947
  678    HB3  GLU 115           HB3      GLU 115   2.420 -13.980  -6.353
  679    HG2  GLU 115           HG2      GLU 115   0.130 -13.558  -7.388
  680    HG3  GLU 115           HG3      GLU 115   0.894 -12.197  -8.217
  681    H    LEU 116           HN       LEU 116   2.617 -10.374  -4.492
  682    HA   LEU 116           HA       LEU 116   4.779 -11.792  -3.201
  683    HB2  LEU 116           HB2      LEU 116   5.638 -10.052  -4.365
  684    HB3  LEU 116           HB3      LEU 116   4.194  -9.074  -4.194
  685    HG   LEU 116           HG       LEU 116   5.744  -9.401  -1.723
  686   HD11  LEU 116          HD11      LEU 116   6.848  -7.840  -4.054
  687   HD12  LEU 116          HD12      LEU 116   7.484  -7.834  -2.408
  688   HD13  LEU 116          HD13      LEU 116   7.560  -9.306  -3.379
  689   HD21  LEU 116          HD21      LEU 116   5.282  -7.031  -1.565
  690   HD22  LEU 116          HD22      LEU 116   4.664  -7.030  -3.218
  691   HD23  LEU 116          HD23      LEU 116   3.812  -7.923  -1.958
  692    H    ALA 117           HN       ALA 117   1.853 -10.227  -2.359
  693    HA   ALA 117           HA       ALA 117   2.318 -11.092   0.426
  694    HB1  ALA 117           HB1      ALA 117   0.870  -9.254   1.248
  695    HB2  ALA 117           HB2      ALA 117   2.321  -8.643   0.448
  696    HB3  ALA 117           HB3      ALA 117   0.775  -8.616  -0.398
  697    HA   PRO 118           HA       PRO 118  -1.911 -12.942   0.061
  698    HB2  PRO 118           HB2      PRO 118  -2.924 -10.765   1.833
  699    HB3  PRO 118           HB3      PRO 118  -3.218 -12.506   1.918
  700    HG2  PRO 118           HG2      PRO 118  -1.537 -11.334   3.620
  701    HG3  PRO 118           HG3      PRO 118  -1.185 -12.937   2.951
  702    HD2  PRO 118           HD2      PRO 118   0.014 -10.295   2.272
  703    HD3  PRO 118           HD3      PRO 118   0.755 -11.908   2.276
  704    H    ASP 119           HN       ASP 119  -3.557 -12.530  -1.355
  705    HA   ASP 119           HA       ASP 119  -3.185 -10.618  -3.282
  706    HB2  ASP 119           HB2      ASP 119  -5.680 -12.163  -2.623
  707    HB3  ASP 119           HB3      ASP 119  -5.497 -11.180  -4.073
  708    H    PHE 120           HN       PHE 120  -4.861 -10.087  -0.273
  709    HA   PHE 120           HA       PHE 120  -6.206  -7.744  -1.351
  710    HB2  PHE 120           HB2      PHE 120  -7.474  -9.136   0.256
  711    HB3  PHE 120           HB3      PHE 120  -6.228  -8.836   1.464
  712    HD1  PHE 120           HD1      PHE 120  -7.527  -6.296  -0.902
  713    HD2  PHE 120           HD2      PHE 120  -7.569  -7.785   3.091
  714    HE1  PHE 120           HE1      PHE 120  -8.714  -4.274  -0.159
  715    HE2  PHE 120           HE2      PHE 120  -8.749  -5.763   3.836
  716    HZ   PHE 120           HZ       PHE 120  -9.321  -4.004   2.211
  717    H    VAL 121           HN       VAL 121  -3.666  -8.754   0.742
  718    HA   VAL 121           HA       VAL 121  -3.011  -6.223   1.816
  719    HB   VAL 121           HB       VAL 121  -1.453  -8.795   1.650
  720   HG11  VAL 121          HG11      VAL 121  -0.010  -6.847   2.057
  721   HG12  VAL 121          HG12      VAL 121  -1.015  -6.408   3.437
  722   HG13  VAL 121          HG13      VAL 121  -0.098  -7.914   3.459
  723   HG21  VAL 121          HG21      VAL 121  -3.669  -8.882   2.727
  724   HG22  VAL 121          HG22      VAL 121  -2.334  -9.225   3.845
  725   HG23  VAL 121          HG23      VAL 121  -3.126  -7.645   3.864
  726    H    GLY 122           HN       GLY 122  -1.673  -8.248  -0.781
  727    HA2  GLY 122           HA1      GLY 122   0.440  -6.615  -1.544
  728    HA3  GLY 122           HA2      GLY 122  -0.468  -7.668  -2.621
  729    H    ASP 123           HN       ASP 123  -2.984  -6.484  -2.494
  730    HA   ASP 123           HA       ASP 123  -2.543  -4.267  -4.255
  731    HB2  ASP 123           HB2      ASP 123  -4.313  -5.849  -4.781
  732    HB3  ASP 123           HB3      ASP 123  -5.119  -5.495  -3.253
  733    H    ILE 124           HN       ILE 124  -3.847  -4.715  -0.974
  734    HA   ILE 124           HA       ILE 124  -4.452  -2.133  -0.297
  735    HB   ILE 124           HB       ILE 124  -3.228  -4.401   1.202
  736   HG12  ILE 124          HG12      ILE 124  -5.678  -2.695   1.689
  737   HG13  ILE 124          HG13      ILE 124  -5.662  -4.224   0.814
  738   HG21  ILE 124          HG21      ILE 124  -3.436  -1.592   2.310
  739   HG22  ILE 124          HG22      ILE 124  -3.200  -3.039   3.292
  740   HG23  ILE 124          HG23      ILE 124  -1.972  -2.555   2.121
  741   HD11  ILE 124          HD11      ILE 124  -6.449  -4.471   3.117
  742   HD12  ILE 124          HD12      ILE 124  -4.976  -5.397   2.818
  743   HD13  ILE 124          HD13      ILE 124  -4.896  -3.873   3.704
  744    H    LEU 125           HN       LEU 125  -1.246  -3.588   0.071
  745    HA   LEU 125           HA       LEU 125   0.121  -1.182   0.422
  746    HB2  LEU 125           HB2      LEU 125   0.806  -3.992  -0.199
  747    HB3  LEU 125           HB3      LEU 125   2.039  -2.780  -0.527
  748    HG   LEU 125           HG       LEU 125   0.657  -3.110   2.125
  749   HD11  LEU 125          HD11      LEU 125   3.375  -4.065   1.236
  750   HD12  LEU 125          HD12      LEU 125   2.737  -4.139   2.879
  751   HD13  LEU 125          HD13      LEU 125   1.984  -5.087   1.598
  752   HD21  LEU 125          HD21      LEU 125   2.467  -1.666   2.914
  753   HD22  LEU 125          HD22      LEU 125   3.081  -1.538   1.264
  754   HD23  LEU 125          HD23      LEU 125   1.501  -0.870   1.670
  755    H    TRP 126           HN       TRP 126  -0.610  -3.036  -2.502
  756    HA   TRP 126           HA       TRP 126   0.998  -1.511  -4.240
  757    HB2  TRP 126           HB2      TRP 126   0.171  -3.624  -5.037
  758    HB3  TRP 126           HB3      TRP 126  -1.503  -3.114  -4.814
  759    HD1  TRP 126           HD1      TRP 126  -2.654  -2.140  -6.869
  760    HE1  TRP 126           HE1      TRP 126  -1.874  -1.147  -9.134
  761    HE3  TRP 126           HE3      TRP 126   2.387  -2.356  -6.148
  762    HZ2  TRP 126           HZ2      TRP 126   0.584  -0.553 -10.416
  763    HZ3  TRP 126           HZ3      TRP 126   3.885  -1.565  -7.931
  764    HH2  TRP 126           HH2      TRP 126   2.996  -0.689 -10.025
  765    H    GLU 127           HN       GLU 127  -2.382  -1.110  -3.201
  766    HA   GLU 127           HA       GLU 127  -2.994   1.122  -4.728
  767    HB2  GLU 127           HB2      GLU 127  -3.989  -0.005  -2.209
  768    HB3  GLU 127           HB3      GLU 127  -4.190   1.737  -2.342
  769    HG2  GLU 127           HG2      GLU 127  -5.102  -0.229  -4.420
  770    HG3  GLU 127           HG3      GLU 127  -6.135   0.408  -3.136
  771    H    HIS 128           HN       HIS 128  -1.691   1.151  -1.371
  772    HA   HIS 128           HA       HIS 128  -1.170   3.917  -1.461
  773    HB2  HIS 128           HB2      HIS 128  -1.078   2.393   0.616
  774    HB3  HIS 128           HB3      HIS 128   0.577   2.040   0.119
  775    HD1  HIS 128           HD1      HIS 128   0.963   3.273   2.585
  776    HD2  HIS 128           HD2      HIS 128  -0.132   5.669  -0.641
  777    HE1  HIS 128           HE1      HIS 128   1.509   5.633   3.281
  778    HE2  HIS 128           HE2      HIS 128   0.772   7.079   1.351
  779    H    LEU 129           HN       LEU 129   0.743   1.191  -2.626
  780    HA   LEU 129           HA       LEU 129   3.112   2.541  -3.167
  781    HB2  LEU 129           HB2      LEU 129   2.764   0.091  -3.427
  782    HB3  LEU 129           HB3      LEU 129   1.754   0.401  -4.826
  783    HG   LEU 129           HG       LEU 129   3.553   0.921  -6.184
  784   HD11  LEU 129          HD11      LEU 129   5.223   1.416  -3.723
  785   HD12  LEU 129          HD12      LEU 129   5.681   1.728  -5.396
  786   HD13  LEU 129          HD13      LEU 129   4.401   2.681  -4.640
  787   HD21  LEU 129          HD21      LEU 129   4.811  -0.890  -4.130
  788   HD22  LEU 129          HD22      LEU 129   3.699  -1.421  -5.392
  789   HD23  LEU 129          HD23      LEU 129   5.263  -0.736  -5.827
  790    H    GLU 130           HN       GLU 130   0.182   2.122  -5.050
  791    HA   GLU 130           HA       GLU 130   1.059   3.734  -7.160
  792    HB2  GLU 130           HB2      GLU 130  -0.789   1.957  -7.214
  793    HB3  GLU 130           HB3      GLU 130  -1.835   3.163  -6.475
  794    HG2  GLU 130           HG2      GLU 130  -1.332   4.658  -8.422
  795    HG3  GLU 130           HG3      GLU 130  -0.500   3.294  -9.167
  796    H    ILE 131           HN       ILE 131  -0.829   4.302  -4.271
  797    HA   ILE 131           HA       ILE 131  -1.633   6.919  -4.762
  798    HB   ILE 131           HB       ILE 131  -1.323   5.267  -2.314
  799   HG12  ILE 131          HG12      ILE 131  -3.693   5.716  -2.047
  800   HG13  ILE 131          HG13      ILE 131  -3.645   6.948  -3.302
  801   HG21  ILE 131          HG21      ILE 131  -1.701   8.254  -2.314
  802   HG22  ILE 131          HG22      ILE 131  -2.167   7.219  -0.956
  803   HG23  ILE 131          HG23      ILE 131  -0.475   7.316  -1.456
  804   HD11  ILE 131          HD11      ILE 131  -3.101   5.127  -4.933
  805   HD12  ILE 131          HD12      ILE 131  -3.409   3.969  -3.637
  806   HD13  ILE 131          HD13      ILE 131  -4.702   5.030  -4.202
  807    H    LEU 132           HN       LEU 132   1.344   5.764  -3.106
  808    HA   LEU 132           HA       LEU 132   2.404   8.241  -2.409
  809    HB2  LEU 132           HB2      LEU 132   4.099   6.014  -3.502
  810    HB3  LEU 132           HB3      LEU 132   4.568   7.253  -2.358
  811    HG   LEU 132           HG       LEU 132   2.383   5.484  -1.471
  812   HD11  LEU 132          HD11      LEU 132   3.941   3.658  -0.990
  813   HD12  LEU 132          HD12      LEU 132   3.790   3.941  -2.724
  814   HD13  LEU 132          HD13      LEU 132   5.215   4.515  -1.856
  815   HD21  LEU 132          HD21      LEU 132   3.727   5.515   0.607
  816   HD22  LEU 132          HD22      LEU 132   4.975   6.443  -0.226
  817   HD23  LEU 132          HD23      LEU 132   3.376   7.147   0.024
  818    H    GLN 133           HN       GLN 133   2.296   6.584  -5.442
  819    HA   GLN 133           HA       GLN 133   4.099   8.494  -6.684
  820    HB2  GLN 133           HB2      GLN 133   4.349   7.016  -8.432
  821    HB3  GLN 133           HB3      GLN 133   4.033   5.915  -7.103
  822    HG2  GLN 133           HG2      GLN 133   1.540   6.217  -7.948
  823    HG3  GLN 133           HG3      GLN 133   2.372   6.588  -9.458
  824   HE21  GLN 133          HE21      GLN 133   3.477   4.365  -6.975
  825   HE22  GLN 133          HE22      GLN 133   3.307   2.925  -7.919
  826    H    LYS 134           HN       LYS 134   0.632   7.750  -6.481
  827    HA   LYS 134           HA       LYS 134  -0.291   9.262  -8.551
  828    HB2  LYS 134           HB2      LYS 134  -2.212   8.512  -7.734
  829    HB3  LYS 134           HB3      LYS 134  -1.348   7.898  -6.333
  830    HG2  LYS 134           HG2      LYS 134  -1.849  10.695  -5.983
  831    HG3  LYS 134           HG3      LYS 134  -3.351   9.866  -6.409
  832    HD2  LYS 134           HD2      LYS 134  -2.896   8.204  -4.653
  833    HD3  LYS 134           HD3      LYS 134  -1.439   9.096  -4.208
  834    HE2  LYS 134           HE2      LYS 134  -3.258   9.609  -2.691
  835    HE3  LYS 134           HE3      LYS 134  -2.828  11.035  -3.632
  836    HZ1  LYS 134           HZ1      LYS 134  -5.252  10.653  -3.390
  837    HZ2  LYS 134           HZ2      LYS 134  -5.098   9.237  -4.312
  838    HZ3  LYS 134           HZ3      LYS 134  -4.736  10.746  -5.001
  839    H    GLU 135           HN       GLU 135   1.021  10.389  -5.499
  840    HA   GLU 135           HA       GLU 135   0.161  13.024  -5.587
  841    HB2  GLU 135           HB2      GLU 135   2.704  11.748  -4.613
  842    HB3  GLU 135           HB3      GLU 135   2.430  13.479  -4.466
  843    HG2  GLU 135           HG2      GLU 135   0.575  11.392  -3.344
  844    HG3  GLU 135           HG3      GLU 135   1.885  12.140  -2.430
  845    H    ASP 136           HN       ASP 136   2.095  11.346  -7.794
  846    HA   ASP 136           HA       ASP 136   2.673  13.824  -9.249
  847    HB2  ASP 136           HB2      ASP 136   4.668  12.774  -7.837
  848    HB3  ASP 136           HB3      ASP 136   4.756  11.673  -9.203
  849    H    VAL 137           HN       VAL 137   0.699  11.627  -9.474
  850    HA   VAL 137           HA       VAL 137   1.675   9.782 -11.435
  851    HB   VAL 137           HB       VAL 137   0.006   9.070  -9.786
  852   HG11  VAL 137          HG11      VAL 137  -1.887  10.904 -11.244
  853   HG12  VAL 137          HG12      VAL 137  -2.357   9.697 -10.046
  854   HG13  VAL 137          HG13      VAL 137  -1.340  11.058  -9.574
  855   HG21  VAL 137          HG21      VAL 137  -1.458   7.844 -11.325
  856   HG22  VAL 137          HG22      VAL 137  -0.939   8.898 -12.640
  857   HG23  VAL 137          HG23      VAL 137   0.224   7.832 -11.854
  858    H    LYS 138           HN       LYS 138   1.876  10.134 -13.472
  859    HA   LYS 138           HA       LYS 138  -0.153  11.604 -14.950
  860    HB2  LYS 138           HB2      LYS 138   2.758  12.365 -14.810
  861    HB3  LYS 138           HB3      LYS 138   1.784  12.756 -16.221
  862    HG2  LYS 138           HG2      LYS 138   0.331  14.135 -14.934
  863    HG3  LYS 138           HG3      LYS 138   1.054  13.587 -13.422
  864    HD2  LYS 138           HD2      LYS 138   2.815  14.872 -15.445
  865    HD3  LYS 138           HD3      LYS 138   1.712  15.898 -14.529
  866    HE2  LYS 138           HE2      LYS 138   3.895  15.775 -13.445
  867    HE3  LYS 138           HE3      LYS 138   2.645  15.049 -12.437
  868    HZ1  LYS 138           HZ1      LYS 138   4.567  13.553 -14.149
  869    HZ2  LYS 138           HZ2      LYS 138   3.375  12.868 -13.156
  870    HZ3  LYS 138           HZ3      LYS 138   4.659  13.719 -12.459
  Start of MODEL    2
    1    H1   MET  29           H1       MET  29 -31.251   5.756  -4.594
    2    H2   MET  29           H2       MET  29 -30.965   7.124  -3.629
    3    H3   MET  29           H3       MET  29 -32.289   6.118  -3.299
    4    HA   MET  29           HA       MET  29 -29.422   5.439  -3.020
    5    HB2  MET  29           HB2      MET  29 -31.646   5.799  -1.006
    6    HB3  MET  29           HB3      MET  29 -30.098   5.060  -0.621
    7    HG2  MET  29           HG2      MET  29 -28.960   7.131  -1.240
    8    HG3  MET  29           HG3      MET  29 -30.518   7.869  -1.613
    9    HE1  MET  29           HE1      MET  29 -29.923   9.897   0.015
   10    HE2  MET  29           HE2      MET  29 -29.394   9.681   1.683
   11    HE3  MET  29           HE3      MET  29 -28.369   9.138   0.356
   12    H    GLU  30           HN       GLU  30 -32.693   4.344  -3.337
   13    HA   GLU  30           HA       GLU  30 -33.466   2.394  -4.160
   14    HB2  GLU  30           HB2      GLU  30 -30.556   1.619  -4.217
   15    HB3  GLU  30           HB3      GLU  30 -31.842   0.543  -4.740
   16    HG2  GLU  30           HG2      GLU  30 -30.974   1.540  -6.686
   17    HG3  GLU  30           HG3      GLU  30 -32.524   2.318  -6.380
   18    H    CYS  31           HN       CYS  31 -30.997   1.856  -1.674
   19    HA   CYS  31           HA       CYS  31 -31.082   0.830   0.341
   20    HB2  CYS  31           HB2      CYS  31 -33.250   1.813   0.752
   21    HB3  CYS  31           HB3      CYS  31 -34.040   0.590  -0.236
   22    HG   CYS  31           HG       CYS  31 -34.562  -0.968   1.703
   23    H    ALA  32           HN       ALA  32 -33.327  -0.981  -1.787
   24    HA   ALA  32           HA       ALA  32 -32.214  -3.486  -0.878
   25    HB1  ALA  32           HB1      ALA  32 -34.610  -3.273  -1.370
   26    HB2  ALA  32           HB2      ALA  32 -34.226  -2.965  -3.063
   27    HB3  ALA  32           HB3      ALA  32 -33.847  -4.529  -2.343
   28    H    ASP  33           HN       ASP  33 -32.696  -2.260  -4.200
   29    HA   ASP  33           HA       ASP  33 -30.222  -3.652  -4.945
   30    HB2  ASP  33           HB2      ASP  33 -32.211  -4.220  -6.273
   31    HB3  ASP  33           HB3      ASP  33 -32.409  -2.528  -6.715
   32    H    VAL  34           HN       VAL  34 -29.248  -1.806  -3.684
   33    HA   VAL  34           HA       VAL  34 -28.930   0.611  -5.271
   34    HB   VAL  34           HB       VAL  34 -29.132   1.004  -2.908
   35   HG11  VAL  34          HG11      VAL  34 -26.815  -0.891  -2.541
   36   HG12  VAL  34          HG12      VAL  34 -27.522   0.106  -1.270
   37   HG13  VAL  34          HG13      VAL  34 -28.485  -1.155  -2.039
   38   HG21  VAL  34          HG21      VAL  34 -27.059   2.205  -2.418
   39   HG22  VAL  34          HG22      VAL  34 -26.251   1.352  -3.733
   40   HG23  VAL  34          HG23      VAL  34 -27.577   2.462  -4.083
   41    HA   PRO  35           HA       PRO  35 -25.453  -1.273  -7.354
   42    HB2  PRO  35           HB2      PRO  35 -24.933   1.541  -8.135
   43    HB3  PRO  35           HB3      PRO  35 -25.127   0.110  -9.153
   44    HG2  PRO  35           HG2      PRO  35 -27.049   1.938  -9.022
   45    HG3  PRO  35           HG3      PRO  35 -27.438   0.208  -9.080
   46    HD2  PRO  35           HD2      PRO  35 -27.416   2.063  -6.724
   47    HD3  PRO  35           HD3      PRO  35 -28.599   0.806  -7.155
   48    H    LEU  36           HN       LEU  36 -23.708  -1.766  -6.311
   49    HA   LEU  36           HA       LEU  36 -21.587  -0.296  -5.468
   50    HB2  LEU  36           HB2      LEU  36 -23.833  -0.057  -3.563
   51    HB3  LEU  36           HB3      LEU  36 -22.314  -0.539  -2.841
   52    HG   LEU  36           HG       LEU  36 -22.720   1.964  -4.483
   53   HD11  LEU  36          HD11      LEU  36 -22.489   1.576  -1.503
   54   HD12  LEU  36          HD12      LEU  36 -22.523   3.130  -2.336
   55   HD13  LEU  36          HD13      LEU  36 -23.933   2.075  -2.382
   56   HD21  LEU  36          HD21      LEU  36 -20.437   1.120  -4.602
   57   HD22  LEU  36          HD22      LEU  36 -20.509   2.582  -3.616
   58   HD23  LEU  36          HD23      LEU  36 -20.377   1.001  -2.844
   59    H    LEU  37           HN       LEU  37 -20.039  -1.740  -4.950
   60    HA   LEU  37           HA       LEU  37 -20.764  -4.450  -4.283
   61    HB2  LEU  37           HB2      LEU  37 -18.063  -3.090  -4.353
   62    HB3  LEU  37           HB3      LEU  37 -18.313  -4.806  -4.095
   63    HG   LEU  37           HG       LEU  37 -19.013  -3.283  -6.605
   64   HD11  LEU  37          HD11      LEU  37 -16.607  -3.578  -6.265
   65   HD12  LEU  37          HD12      LEU  37 -16.852  -5.314  -6.077
   66   HD13  LEU  37          HD13      LEU  37 -17.203  -4.537  -7.621
   67   HD21  LEU  37          HD21      LEU  37 -19.209  -6.232  -5.998
   68   HD22  LEU  37          HD22      LEU  37 -20.567  -5.124  -6.192
   69   HD23  LEU  37          HD23      LEU  37 -19.509  -5.474  -7.561
   70    H    THR  38           HN       THR  38 -21.495  -4.880  -2.314
   71    HA   THR  38           HA       THR  38 -21.425  -3.260  -0.093
   72    HB   THR  38           HB       THR  38 -21.791  -5.449   1.209
   73    HG1  THR  38           HG1      THR  38 -21.208  -7.139   0.066
   74   HG21  THR  38          HG21      THR  38 -23.589  -4.759  -1.117
   75   HG22  THR  38          HG22      THR  38 -23.624  -4.018   0.484
   76   HG23  THR  38          HG23      THR  38 -24.057  -5.717   0.286
   77    HA   PRO  39           HA       PRO  39 -17.335  -2.936   1.209
   78    HB2  PRO  39           HB2      PRO  39 -18.480  -2.886   3.953
   79    HB3  PRO  39           HB3      PRO  39 -17.442  -1.709   3.144
   80    HG2  PRO  39           HG2      PRO  39 -20.037  -1.231   3.486
   81    HG3  PRO  39           HG3      PRO  39 -19.203  -0.740   1.999
   82    HD2  PRO  39           HD2      PRO  39 -21.047  -3.035   2.472
   83    HD3  PRO  39           HD3      PRO  39 -20.871  -2.002   1.039
   84    H    SER  40           HN       SER  40 -16.707  -5.123   0.676
   85    HA   SER  40           HA       SER  40 -16.343  -6.740   3.105
   86    HB2  SER  40           HB2      SER  40 -17.978  -7.826   1.639
   87    HB3  SER  40           HB3      SER  40 -16.850  -7.735   0.288
   88    HG   SER  40           HG       SER  40 -15.649  -9.308   1.140
   89    H    SER  41           HN       SER  41 -15.073  -6.528  -0.267
   90    HA   SER  41           HA       SER  41 -12.477  -7.280   0.821
   91    HB2  SER  41           HB2      SER  41 -13.355  -8.418  -1.208
   92    HB3  SER  41           HB3      SER  41 -13.279  -6.882  -2.071
   93    HG   SER  41           HG       SER  41 -11.116  -8.360  -0.959
   94    H    LYS  42           HN       LYS  42 -13.416  -4.828  -1.659
   95    HA   LYS  42           HA       LYS  42 -10.916  -3.502  -1.000
   96    HB2  LYS  42           HB2      LYS  42 -11.561  -3.977  -3.377
   97    HB3  LYS  42           HB3      LYS  42 -12.803  -2.742  -3.219
   98    HG2  LYS  42           HG2      LYS  42 -11.309  -1.183  -3.739
   99    HG3  LYS  42           HG3      LYS  42 -10.366  -1.611  -2.302
  100    HD2  LYS  42           HD2      LYS  42  -9.177  -3.314  -3.578
  101    HD3  LYS  42           HD3      LYS  42 -10.138  -2.942  -5.010
  102    HE2  LYS  42           HE2      LYS  42  -9.215  -0.705  -5.095
  103    HE3  LYS  42           HE3      LYS  42  -8.336  -0.979  -3.593
  104    HZ1  LYS  42           HZ1      LYS  42  -6.882  -1.211  -5.493
  105    HZ2  LYS  42           HZ2      LYS  42  -7.878  -2.407  -6.159
  106    HZ3  LYS  42           HZ3      LYS  42  -7.047  -2.708  -4.710
  107    H    GLU  43           HN       GLU  43 -14.303  -2.959  -0.498
  108    HA   GLU  43           HA       GLU  43 -14.232  -0.149  -0.337
  109    HB2  GLU  43           HB2      GLU  43 -16.318  -1.479  -0.498
  110    HB3  GLU  43           HB3      GLU  43 -16.054  -2.046   1.143
  111    HG2  GLU  43           HG2      GLU  43 -17.698  -0.257   1.069
  112    HG3  GLU  43           HG3      GLU  43 -16.274   0.210   1.995
  113    H    MET  44           HN       MET  44 -13.447  -2.689   1.941
  114    HA   MET  44           HA       MET  44 -13.172  -1.242   4.280
  115    HB2  MET  44           HB2      MET  44 -11.432  -3.490   3.253
  116    HB3  MET  44           HB3      MET  44 -11.416  -2.892   4.905
  117    HG2  MET  44           HG2      MET  44 -13.759  -4.178   3.513
  118    HG3  MET  44           HG3      MET  44 -12.704  -4.950   4.691
  119    HE1  MET  44           HE1      MET  44 -15.022  -1.755   4.226
  120    HE2  MET  44           HE2      MET  44 -16.007  -3.216   4.159
  121    HE3  MET  44           HE3      MET  44 -16.183  -2.093   5.509
  122    H    MET  45           HN       MET  45 -10.607  -1.867   1.854
  123    HA   MET  45           HA       MET  45  -8.817  -0.010   3.003
  124    HB2  MET  45           HB2      MET  45  -7.431  -0.296   1.124
  125    HB3  MET  45           HB3      MET  45  -8.216  -1.853   1.361
  126    HG2  MET  45           HG2      MET  45  -9.199  -1.771  -0.638
  127    HG3  MET  45           HG3      MET  45  -9.702  -0.094  -0.407
  128    HE1  MET  45           HE1      MET  45  -6.678  -2.422  -1.527
  129    HE2  MET  45           HE2      MET  45  -5.455  -1.175  -1.812
  130    HE3  MET  45           HE3      MET  45  -6.075  -1.450  -0.182
  131    H    SER  46           HN       SER  46 -11.334   0.357   0.562
  132    HA   SER  46           HA       SER  46 -10.641   2.858  -0.402
  133    HB2  SER  46           HB2      SER  46 -12.479   1.402  -1.254
  134    HB3  SER  46           HB3      SER  46 -13.454   1.885   0.133
  135    HG   SER  46           HG       SER  46 -12.780   4.145  -0.797
  136    H    GLN  47           HN       GLN  47 -12.726   2.103   2.405
  137    HA   GLN  47           HA       GLN  47 -12.684   4.834   3.251
  138    HB2  GLN  47           HB2      GLN  47 -13.784   3.981   5.325
  139    HB3  GLN  47           HB3      GLN  47 -14.622   3.588   3.833
  140    HG2  GLN  47           HG2      GLN  47 -13.610   1.324   3.930
  141    HG3  GLN  47           HG3      GLN  47 -12.932   1.747   5.502
  142   HE21  GLN  47          HE21      GLN  47 -14.295   1.985   7.266
  143   HE22  GLN  47          HE22      GLN  47 -15.921   1.383   7.259
  144    H    ALA  48           HN       ALA  48 -11.062   1.872   4.464
  145    HA   ALA  48           HA       ALA  48  -9.764   3.250   6.576
  146    HB1  ALA  48           HB1      ALA  48  -9.018   0.611   5.325
  147    HB2  ALA  48           HB2      ALA  48  -8.427   1.230   6.867
  148    HB3  ALA  48           HB3      ALA  48 -10.137   0.841   6.669
  149    H    LEU  49           HN       LEU  49  -8.441   2.090   3.404
  150    HA   LEU  49           HA       LEU  49  -5.810   2.992   4.088
  151    HB2  LEU  49           HB2      LEU  49  -7.105   1.566   1.868
  152    HB3  LEU  49           HB3      LEU  49  -5.819   2.655   1.374
  153    HG   LEU  49           HG       LEU  49  -5.623   0.275   3.186
  154   HD11  LEU  49          HD11      LEU  49  -3.960  -0.389   1.480
  155   HD12  LEU  49          HD12      LEU  49  -5.591  -0.198   0.837
  156   HD13  LEU  49          HD13      LEU  49  -4.383   1.055   0.563
  157   HD21  LEU  49          HD21      LEU  49  -4.291   2.015   4.216
  158   HD22  LEU  49          HD22      LEU  49  -3.229   0.840   3.439
  159   HD23  LEU  49          HD23      LEU  49  -3.541   2.395   2.668
  160    H    LYS  50           HN       LYS  50  -8.184   3.923   1.632
  161    HA   LYS  50           HA       LYS  50  -6.579   5.873   0.486
  162    HB2  LYS  50           HB2      LYS  50  -9.595   5.823   0.431
  163    HB3  LYS  50           HB3      LYS  50  -8.522   6.563  -0.749
  164    HG2  LYS  50           HG2      LYS  50  -8.805   3.618  -0.185
  165    HG3  LYS  50           HG3      LYS  50  -9.386   4.479  -1.612
  166    HD2  LYS  50           HD2      LYS  50  -6.476   4.330  -0.807
  167    HD3  LYS  50           HD3      LYS  50  -7.234   3.207  -1.934
  168    HE2  LYS  50           HE2      LYS  50  -7.470   6.142  -2.429
  169    HE3  LYS  50           HE3      LYS  50  -5.944   5.328  -2.789
  170    HZ1  LYS  50           HZ1      LYS  50  -7.078   3.825  -4.249
  171    HZ2  LYS  50           HZ2      LYS  50  -7.462   5.412  -4.707
  172    HZ3  LYS  50           HZ3      LYS  50  -8.592   4.485  -3.852
  173    H    ALA  51           HN       ALA  51  -8.708   6.021   3.214
  174    HA   ALA  51           HA       ALA  51  -8.492   8.881   3.538
  175    HB1  ALA  51           HB1      ALA  51 -10.464   7.688   4.356
  176    HB2  ALA  51           HB2      ALA  51  -9.453   6.807   5.500
  177    HB3  ALA  51           HB3      ALA  51  -9.638   8.554   5.650
  178    H    THR  52           HN       THR  52  -6.869   6.009   4.834
  179    HA   THR  52           HA       THR  52  -5.748   7.427   7.066
  180    HB   THR  52           HB       THR  52  -6.415   4.965   7.022
  181    HG1  THR  52           HG1      THR  52  -4.077   4.638   8.157
  182   HG21  THR  52          HG21      THR  52  -4.727   3.357   6.303
  183   HG22  THR  52          HG22      THR  52  -3.672   4.667   5.774
  184   HG23  THR  52          HG23      THR  52  -5.194   4.373   4.937
  185    H    PHE  53           HN       PHE  53  -4.820   7.343   3.888
  186    HA   PHE  53           HA       PHE  53  -2.190   6.511   3.912
  187    HB2  PHE  53           HB2      PHE  53  -3.601   8.472   2.135
  188    HB3  PHE  53           HB3      PHE  53  -1.916   8.024   1.878
  189    HD1  PHE  53           HD2      PHE  53  -1.952   5.179   2.553
  190    HD2  PHE  53           HD1      PHE  53  -4.743   7.526   0.372
  191    HE1  PHE  53           HE2      PHE  53  -2.688   3.180   1.330
  192    HE2  PHE  53           HE1      PHE  53  -5.484   5.528  -0.846
  193    HZ   PHE  53           HZ       PHE  53  -4.390   3.337  -0.387
  194    H    SER  54           HN       SER  54  -3.447   9.585   4.957
  195    HA   SER  54           HA       SER  54  -1.081  11.090   4.755
  196    HB2  SER  54           HB2      SER  54  -3.299  12.106   5.133
  197    HB3  SER  54           HB3      SER  54  -3.338  11.406   6.750
  198    HG   SER  54           HG       SER  54  -1.143  12.635   6.825
  199    H    GLY  55           HN       GLY  55  -2.014   8.585   6.928
  200    HA2  GLY  55           HA1      GLY  55  -0.521   9.130   9.196
  201    HA3  GLY  55           HA2      GLY  55  -0.835   7.517   8.571
  202    H    PHE  56           HN       PHE  56   0.611   7.039   6.517
  203    HA   PHE  56           HA       PHE  56   3.314   7.248   7.516
  204    HB2  PHE  56           HB2      PHE  56   2.536   5.116   6.544
  205    HB3  PHE  56           HB3      PHE  56   2.327   5.912   4.986
  206    HD1  PHE  56           HD1      PHE  56   4.797   4.806   7.481
  207    HD2  PHE  56           HD2      PHE  56   4.174   6.354   3.569
  208    HE1  PHE  56           HE1      PHE  56   7.151   4.356   6.931
  209    HE2  PHE  56           HE2      PHE  56   6.527   5.912   3.012
  210    HZ   PHE  56           HZ       PHE  56   8.021   4.904   4.696
  211    H    THR  57           HN       THR  57   1.511   8.361   4.708
  212    HA   THR  57           HA       THR  57   3.642   9.297   3.169
  213    HB   THR  57           HB       THR  57   0.901  10.534   3.308
  214    HG1  THR  57           HG1      THR  57   0.329   8.974   1.740
  215   HG21  THR  57          HG21      THR  57   1.300  11.071   0.946
  216   HG22  THR  57          HG22      THR  57   2.913  10.365   1.059
  217   HG23  THR  57          HG23      THR  57   2.514  11.813   1.986
  218    H    LYS  58           HN       LYS  58   2.177  10.676   6.005
  219    HA   LYS  58           HA       LYS  58   3.203  13.344   5.479
  220    HB2  LYS  58           HB2      LYS  58   1.046  13.002   6.706
  221    HB3  LYS  58           HB3      LYS  58   1.963  12.299   8.031
  222    HG2  LYS  58           HG2      LYS  58   1.361  14.653   8.415
  223    HG3  LYS  58           HG3      LYS  58   3.106  14.386   8.407
  224    HD2  LYS  58           HD2      LYS  58   3.258  15.222   6.141
  225    HD3  LYS  58           HD3      LYS  58   1.505  15.383   6.053
  226    HE2  LYS  58           HE2      LYS  58   3.250  16.864   8.012
  227    HE3  LYS  58           HE3      LYS  58   2.714  17.521   6.466
  228    HZ1  LYS  58           HZ1      LYS  58   0.401  17.154   7.230
  229    HZ2  LYS  58           HZ2      LYS  58   1.251  18.292   8.148
  230    HZ3  LYS  58           HZ3      LYS  58   1.002  16.732   8.761
  231    H    GLU  59           HN       GLU  59   3.965  10.497   7.388
  232    HA   GLU  59           HA       GLU  59   6.127  11.852   8.771
  233    HB2  GLU  59           HB2      GLU  59   5.878  10.265  10.317
  234    HB3  GLU  59           HB3      GLU  59   4.534   9.609   9.378
  235    HG2  GLU  59           HG2      GLU  59   5.907   8.028   8.328
  236    HG3  GLU  59           HG3      GLU  59   7.388   8.835   8.865
  237    H    GLN  60           HN       GLN  60   5.568   9.920   6.009
  238    HA   GLN  60           HA       GLN  60   8.077   8.927   5.377
  239    HB2  GLN  60           HB2      GLN  60   5.816   8.736   4.133
  240    HB3  GLN  60           HB3      GLN  60   6.254  10.258   3.374
  241    HG2  GLN  60           HG2      GLN  60   8.230   9.246   2.427
  242    HG3  GLN  60           HG3      GLN  60   7.842   7.715   3.220
  243   HE21  GLN  60          HE21      GLN  60   8.111   8.336   0.395
  244   HE22  GLN  60          HE22      GLN  60   6.608   7.892  -0.335
  245    H    GLN  61           HN       GLN  61   6.615  12.044   4.699
  246    HA   GLN  61           HA       GLN  61   8.855  13.329   3.580
  247    HB2  GLN  61           HB2      GLN  61   6.548  14.481   5.161
  248    HB3  GLN  61           HB3      GLN  61   7.664  15.415   4.168
  249    HG2  GLN  61           HG2      GLN  61   5.698  13.342   3.222
  250    HG3  GLN  61           HG3      GLN  61   5.620  15.083   2.955
  251   HE21  GLN  61          HE21      GLN  61   7.108  12.100   2.007
  252   HE22  GLN  61          HE22      GLN  61   7.892  12.705   0.595
  253    H    ARG  62           HN       ARG  62   7.742  12.890   6.872
  254    HA   ARG  62           HA       ARG  62   9.477  14.702   8.167
  255    HB2  ARG  62           HB2      ARG  62   7.298  13.496   8.951
  256    HB3  ARG  62           HB3      ARG  62   8.388  12.217   9.456
  257    HG2  ARG  62           HG2      ARG  62   8.630  15.066  10.387
  258    HG3  ARG  62           HG3      ARG  62   7.707  13.824  11.236
  259    HD2  ARG  62           HD2      ARG  62  10.631  13.556  10.569
  260    HD3  ARG  62           HD3      ARG  62  10.041  14.226  12.089
  261    HE   ARG  62           HE       ARG  62   8.786  11.787  11.815
  262   HH11  ARG  62          HH12      ARG  62  12.128  12.865  11.915
  263   HH12  ARG  62          HH11      ARG  62  12.685  11.445  12.755
  264   HH21  ARG  62          HH22      ARG  62   9.518   9.940  12.906
  265   HH22  ARG  62          HH21      ARG  62  11.192   9.802  13.358
  266    H    LEU  63           HN       LEU  63   9.632  11.199   7.666
  267    HA   LEU  63           HA       LEU  63  12.203  10.836   8.843
  268    HB2  LEU  63           HB2      LEU  63  10.556   9.120   7.009
  269    HB3  LEU  63           HB3      LEU  63  12.080   8.602   7.706
  270    HG   LEU  63           HG       LEU  63   9.716   9.437   9.379
  271   HD11  LEU  63          HD11      LEU  63   9.238   7.077   9.681
  272   HD12  LEU  63          HD12      LEU  63   9.095   7.529   7.983
  273   HD13  LEU  63          HD13      LEU  63  10.520   6.655   8.545
  274   HD21  LEU  63          HD21      LEU  63  11.891   9.523  10.480
  275   HD22  LEU  63          HD22      LEU  63  10.901   8.217  11.131
  276   HD23  LEU  63          HD23      LEU  63  12.206   7.854  10.002
  277    H    GLY  64           HN       GLY  64  11.503  12.567   6.272
  278    HA2  GLY  64           HA1      GLY  64  12.685  13.290   4.452
  279    HA3  GLY  64           HA2      GLY  64  14.089  12.500   5.161
  280    H    ILE  65           HN       ILE  65  11.359  10.522   4.661
  281    HA   ILE  65           HA       ILE  65  12.808   8.875   2.870
  282    HB   ILE  65           HB       ILE  65   9.912   8.734   3.723
  283   HG12  ILE  65          HG12      ILE  65  12.379   7.216   4.588
  284   HG13  ILE  65          HG13      ILE  65  11.407   8.306   5.569
  285   HG21  ILE  65          HG21      ILE  65   9.894   6.478   2.785
  286   HG22  ILE  65          HG22      ILE  65  10.212   7.685   1.538
  287   HG23  ILE  65          HG23      ILE  65  11.535   6.711   2.182
  288   HD11  ILE  65          HD11      ILE  65   9.524   6.739   5.413
  289   HD12  ILE  65          HD12      ILE  65  10.528   5.643   4.461
  290   HD13  ILE  65          HD13      ILE  65  10.951   5.996   6.138
  291    HA   PRO  66           HA       PRO  66  11.772  10.869  -1.034
  292    HB2  PRO  66           HB2      PRO  66  11.796   7.990  -1.820
  293    HB3  PRO  66           HB3      PRO  66  12.572   9.370  -2.604
  294    HG2  PRO  66           HG2      PRO  66  13.979   7.638  -1.140
  295    HG3  PRO  66           HG3      PRO  66  14.353   9.373  -1.126
  296    HD2  PRO  66           HD2      PRO  66  13.052   7.696   0.941
  297    HD3  PRO  66           HD3      PRO  66  14.018   9.174   1.123
  298    H    LYS  67           HN       LYS  67   9.777  11.367  -1.771
  299    HA   LYS  67           HA       LYS  67   7.435  10.297  -0.757
  300    HB2  LYS  67           HB2      LYS  67   7.679  12.519  -1.764
  301    HB3  LYS  67           HB3      LYS  67   7.859  11.782  -3.348
  302    HG2  LYS  67           HG2      LYS  67   5.586  10.827  -3.099
  303    HG3  LYS  67           HG3      LYS  67   5.424  11.746  -1.592
  304    HD2  LYS  67           HD2      LYS  67   4.398  13.034  -3.316
  305    HD3  LYS  67           HD3      LYS  67   5.926  13.817  -2.915
  306    HE2  LYS  67           HE2      LYS  67   6.957  12.616  -4.853
  307    HE3  LYS  67           HE3      LYS  67   5.347  12.048  -5.286
  308    HZ1  LYS  67           HZ1      LYS  67   5.894  13.996  -6.557
  309    HZ2  LYS  67           HZ2      LYS  67   6.244  14.875  -5.154
  310    HZ3  LYS  67           HZ3      LYS  67   4.654  14.390  -5.467
  311    H    ASP  68           HN       ASP  68   8.662   9.845  -4.088
  312    HA   ASP  68           HA       ASP  68   6.707   7.889  -4.786
  313    HB2  ASP  68           HB2      ASP  68   9.396   8.553  -6.015
  314    HB3  ASP  68           HB3      ASP  68   8.259   7.409  -6.714
  315    HA   PRO  69           HA       PRO  69   8.710   4.190  -3.317
  316    HB2  PRO  69           HB2      PRO  69   8.001   2.389  -5.179
  317    HB3  PRO  69           HB3      PRO  69   6.833   3.070  -4.044
  318    HG2  PRO  69           HG2      PRO  69   7.339   3.789  -6.900
  319    HG3  PRO  69           HG3      PRO  69   5.793   3.607  -6.050
  320    HD2  PRO  69           HD2      PRO  69   6.972   6.021  -6.548
  321    HD3  PRO  69           HD3      PRO  69   5.887   5.723  -5.175
  322    H    ARG  70           HN       ARG  70   9.228   5.027  -6.696
  323    HA   ARG  70           HA       ARG  70  10.938   2.900  -7.315
  324    HB2  ARG  70           HB2      ARG  70  11.519   4.488  -9.341
  325    HB3  ARG  70           HB3      ARG  70   9.996   3.629  -9.220
  326    HG2  ARG  70           HG2      ARG  70  10.214   6.421  -8.171
  327    HG3  ARG  70           HG3      ARG  70  10.029   6.131  -9.903
  328    HD2  ARG  70           HD2      ARG  70   8.047   4.623  -9.208
  329    HD3  ARG  70           HD3      ARG  70   8.149   5.463  -7.660
  330    HE   ARG  70           HE       ARG  70   7.882   7.561  -9.086
  331   HH11  ARG  70          HH12      ARG  70   6.498   4.456  -9.960
  332   HH12  ARG  70          HH11      ARG  70   5.126   5.153 -10.761
  333   HH21  ARG  70          HH22      ARG  70   6.085   8.469 -10.160
  334   HH22  ARG  70          HH21      ARG  70   4.888   7.433 -10.881
  335    H    GLN  71           HN       GLN  71  11.858   5.095  -5.223
  336    HA   GLN  71           HA       GLN  71  14.660   4.726  -5.977
  337    HB2  GLN  71           HB2      GLN  71  15.288   6.992  -5.644
  338    HB3  GLN  71           HB3      GLN  71  13.855   7.051  -6.660
  339    HG2  GLN  71           HG2      GLN  71  13.950   7.534  -3.695
  340    HG3  GLN  71           HG3      GLN  71  13.782   8.761  -4.949
  341   HE21  GLN  71          HE21      GLN  71  12.226   6.030  -3.380
  342   HE22  GLN  71          HE22      GLN  71  10.606   6.477  -3.796
  343    H    TRP  72           HN       TRP  72  12.605   3.787  -3.879
  344    HA   TRP  72           HA       TRP  72  13.643   4.654  -1.375
  345    HB2  TRP  72           HB2      TRP  72  11.689   2.613  -2.369
  346    HB3  TRP  72           HB3      TRP  72  12.280   2.475  -0.714
  347    HD1  TRP  72           HD1      TRP  72  12.190   6.006  -1.031
  348    HE1  TRP  72           HE1      TRP  72   9.937   6.985  -0.290
  349    HE3  TRP  72           HE3      TRP  72   9.392   1.755  -1.113
  350    HZ2  TRP  72           HZ2      TRP  72   7.305   6.073   0.193
  351    HZ3  TRP  72           HZ3      TRP  72   7.020   1.891  -0.499
  352    HH2  TRP  72           HH2      TRP  72   6.000   3.998   0.133
  353    H    THR  73           HN       THR  73  14.713   3.287   0.193
  354    HA   THR  73           HA       THR  73  16.325   1.141  -0.897
  355    HB   THR  73           HB       THR  73  17.265   1.046   1.405
  356    HG1  THR  73           HG1      THR  73  16.574   2.810   2.833
  357   HG21  THR  73          HG21      THR  73  17.158   3.853   0.292
  358   HG22  THR  73          HG22      THR  73  18.221   2.574  -0.295
  359   HG23  THR  73          HG23      THR  73  18.406   3.189   1.347
  360    H    GLU  74           HN       GLU  74  16.391  -0.912   0.602
  361    HA   GLU  74           HA       GLU  74  13.894  -2.169   0.605
  362    HB2  GLU  74           HB2      GLU  74  16.311  -2.774   2.325
  363    HB3  GLU  74           HB3      GLU  74  14.932  -3.845   2.120
  364    HG2  GLU  74           HG2      GLU  74  15.417  -4.034  -0.259
  365    HG3  GLU  74           HG3      GLU  74  16.789  -2.942  -0.067
  366    H    THR  75           HN       THR  75  15.511  -0.257   3.051
  367    HA   THR  75           HA       THR  75  13.835  -0.871   5.227
  368    HB   THR  75           HB       THR  75  15.310   1.731   4.786
  369    HG1  THR  75           HG1      THR  75  17.094   0.673   5.731
  370   HG21  THR  75          HG21      THR  75  14.540   0.218   7.286
  371   HG22  THR  75          HG22      THR  75  13.811   1.716   6.709
  372   HG23  THR  75          HG23      THR  75  15.490   1.703   7.242
  373    H    HIS  76           HN       HIS  76  13.694   1.634   2.713
  374    HA   HIS  76           HA       HIS  76  11.609   3.107   4.034
  375    HB2  HIS  76           HB2      HIS  76  12.787   3.310   1.257
  376    HB3  HIS  76           HB3      HIS  76  11.531   4.386   1.860
  377    HD1  HIS  76           HD1      HIS  76  14.593   5.131   1.062
  378    HD2  HIS  76           HD2      HIS  76  12.956   4.790   4.872
  379    HE1  HIS  76           HE1      HIS  76  16.091   6.468   2.559
  380    HE2  HIS  76           HE2      HIS  76  15.181   6.114   4.890
  381    H    VAL  77           HN       VAL  77  11.813   0.774   1.405
  382    HA   VAL  77           HA       VAL  77   9.127   0.809   0.636
  383    HB   VAL  77           HB       VAL  77  11.221  -1.370   0.489
  384   HG11  VAL  77          HG11      VAL  77   9.010  -2.394   0.519
  385   HG12  VAL  77          HG12      VAL  77   8.489  -1.321  -0.782
  386   HG13  VAL  77          HG13      VAL  77   9.746  -2.521  -1.079
  387   HG21  VAL  77          HG21      VAL  77  10.100   0.503  -1.609
  388   HG22  VAL  77          HG22      VAL  77  11.698   0.604  -0.872
  389   HG23  VAL  77          HG23      VAL  77  11.288  -0.771  -1.903
  390    H    ARG  78           HN       ARG  78  10.899  -1.299   2.912
  391    HA   ARG  78           HA       ARG  78   8.653  -2.798   3.710
  392    HB2  ARG  78           HB2      ARG  78  11.277  -2.259   5.070
  393    HB3  ARG  78           HB3      ARG  78  10.070  -3.361   5.723
  394    HG2  ARG  78           HG2      ARG  78  10.196  -4.634   3.558
  395    HG3  ARG  78           HG3      ARG  78  11.577  -3.620   3.128
  396    HD2  ARG  78           HD2      ARG  78  11.347  -5.448   5.513
  397    HD3  ARG  78           HD3      ARG  78  12.347  -5.705   4.083
  398    HE   ARG  78           HE       ARG  78  12.804  -3.355   5.796
  399   HH11  ARG  78          HH12      ARG  78  13.923  -6.369   4.421
  400   HH12  ARG  78          HH11      ARG  78  15.559  -6.164   4.967
  401   HH21  ARG  78          HH22      ARG  78  14.931  -3.067   6.508
  402   HH22  ARG  78          HH21      ARG  78  16.143  -4.261   6.153
  403    H    ASP  79           HN       ASP  79  10.006   0.203   4.940
  404    HA   ASP  79           HA       ASP  79   8.570   0.579   7.283
  405    HB2  ASP  79           HB2      ASP  79   9.749   2.322   5.202
  406    HB3  ASP  79           HB3      ASP  79   8.513   3.079   6.202
  407    H    TRP  80           HN       TRP  80   7.702   1.429   3.972
  408    HA   TRP  80           HA       TRP  80   5.096   2.374   4.654
  409    HB2  TRP  80           HB2      TRP  80   5.975   3.435   2.811
  410    HB3  TRP  80           HB3      TRP  80   6.804   1.993   2.246
  411    HD1  TRP  80           HD1      TRP  80   3.486   3.830   1.979
  412    HE1  TRP  80           HE1      TRP  80   2.196   2.814  -0.003
  413    HE3  TRP  80           HE3      TRP  80   6.476  -0.185   1.016
  414    HZ2  TRP  80           HZ2      TRP  80   2.406   0.603  -1.729
  415    HZ3  TRP  80           HZ3      TRP  80   5.864  -1.710  -0.808
  416    HH2  TRP  80           HH2      TRP  80   3.866  -1.328  -2.149
  417    H    VAL  81           HN       VAL  81   6.576  -0.576   3.687
  418    HA   VAL  81           HA       VAL  81   4.376  -1.987   2.642
  419    HB   VAL  81           HB       VAL  81   7.073  -2.696   3.698
  420   HG11  VAL  81          HG11      VAL  81   5.735  -4.427   4.732
  421   HG12  VAL  81          HG12      VAL  81   4.955  -4.775   3.189
  422   HG13  VAL  81          HG13      VAL  81   6.679  -5.091   3.398
  423   HG21  VAL  81          HG21      VAL  81   5.609  -3.370   1.158
  424   HG22  VAL  81          HG22      VAL  81   6.792  -2.076   1.370
  425   HG23  VAL  81          HG23      VAL  81   7.292  -3.763   1.514
  426    H    MET  82           HN       MET  82   5.912  -2.208   5.823
  427    HA   MET  82           HA       MET  82   3.728  -3.675   6.905
  428    HB2  MET  82           HB2      MET  82   4.833  -3.470   9.054
  429    HB3  MET  82           HB3      MET  82   5.948  -3.976   7.796
  430    HG2  MET  82           HG2      MET  82   6.695  -1.584   7.630
  431    HG3  MET  82           HG3      MET  82   5.733  -1.263   9.073
  432    HE1  MET  82           HE1      MET  82   7.476  -3.839  11.569
  433    HE2  MET  82           HE2      MET  82   6.116  -2.734  11.367
  434    HE3  MET  82           HE3      MET  82   6.192  -4.223  10.424
  435    H    TRP  83           HN       TRP  83   4.115  -0.288   6.369
  436    HA   TRP  83           HA       TRP  83   2.547   0.534   8.610
  437    HB2  TRP  83           HB2      TRP  83   3.901   2.196   7.440
  438    HB3  TRP  83           HB3      TRP  83   2.993   1.934   5.954
  439    HD1  TRP  83           HD1      TRP  83   2.673   3.584   9.398
  440    HE1  TRP  83           HE1      TRP  83   0.675   5.195   9.340
  441    HE3  TRP  83           HE3      TRP  83   0.797   2.410   4.787
  442    HZ2  TRP  83           HZ2      TRP  83  -1.410   5.896   7.572
  443    HZ3  TRP  83           HZ3      TRP  83  -1.195   3.603   3.990
  444    HH2  TRP  83           HH2      TRP  83  -2.270   5.308   5.352
  445    H    ALA  84           HN       ALA  84   1.571   0.223   5.148
  446    HA   ALA  84           HA       ALA  84  -1.161   0.667   5.679
  447    HB1  ALA  84           HB1      ALA  84  -1.615  -0.356   3.510
  448    HB2  ALA  84           HB2      ALA  84  -0.218   0.718   3.400
  449    HB3  ALA  84           HB3      ALA  84   0.017  -1.029   3.467
  450    H    VAL  85           HN       VAL  85   0.813  -2.191   5.625
  451    HA   VAL  85           HA       VAL  85  -1.030  -4.164   6.230
  452    HB   VAL  85           HB       VAL  85   1.900  -3.765   6.612
  453   HG11  VAL  85          HG11      VAL  85   1.299  -4.834   8.723
  454   HG12  VAL  85          HG12      VAL  85   0.447  -6.101   7.849
  455   HG13  VAL  85          HG13      VAL  85   2.192  -5.942   7.682
  456   HG21  VAL  85          HG21      VAL  85   1.050  -4.525   4.494
  457   HG22  VAL  85          HG22      VAL  85   2.001  -5.800   5.256
  458   HG23  VAL  85          HG23      VAL  85   0.239  -5.884   5.274
  459    H    ASN  86           HN       ASN  86   0.873  -2.172   8.571
  460    HA   ASN  86           HA       ASN  86  -0.352  -3.529  10.735
  461    HB2  ASN  86           HB2      ASN  86   1.078  -2.484  12.144
  462    HB3  ASN  86           HB3      ASN  86   1.963  -2.355  10.638
  463   HD21  ASN  86          HD21      ASN  86   0.217  -0.185   9.661
  464   HD22  ASN  86          HD22      ASN  86   0.695   1.226  10.572
  465    H    GLU  87           HN       GLU  87  -1.373  -0.878   8.862
  466    HA   GLU  87           HA       GLU  87  -3.031   0.351  10.877
  467    HB2  GLU  87           HB2      GLU  87  -2.923   0.572   7.864
  468    HB3  GLU  87           HB3      GLU  87  -4.077   1.461   8.851
  469    HG2  GLU  87           HG2      GLU  87  -1.127   1.647   9.319
  470    HG3  GLU  87           HG3      GLU  87  -1.950   2.659   8.132
  471    H    PHE  88           HN       PHE  88  -3.259  -1.990   8.336
  472    HA   PHE  88           HA       PHE  88  -6.048  -2.588   8.813
  473    HB2  PHE  88           HB2      PHE  88  -3.896  -3.487   6.957
  474    HB3  PHE  88           HB3      PHE  88  -5.252  -4.587   7.253
  475    HD1  PHE  88           HD1      PHE  88  -7.529  -3.964   6.644
  476    HD2  PHE  88           HD2      PHE  88  -4.210  -1.470   5.729
  477    HE1  PHE  88           HE1      PHE  88  -8.917  -2.716   5.043
  478    HE2  PHE  88           HE2      PHE  88  -5.586  -0.219   4.128
  479    HZ   PHE  88           HZ       PHE  88  -7.942  -0.840   3.783
  480    H    SER  89           HN       SER  89  -3.398  -3.130  10.550
  481    HA   SER  89           HA       SER  89  -2.456  -4.741  11.838
  482    HB2  SER  89           HB2      SER  89  -5.382  -5.428  12.215
  483    HB3  SER  89           HB3      SER  89  -4.069  -5.966  13.264
  484    HG   SER  89           HG       SER  89  -5.396  -3.633  13.289
  485    H    LEU  90           HN       LEU  90  -2.238  -5.472   9.221
  486    HA   LEU  90           HA       LEU  90  -3.283  -8.099   8.741
  487    HB2  LEU  90           HB2      LEU  90  -0.948  -6.743   7.373
  488    HB3  LEU  90           HB3      LEU  90  -1.949  -8.037   6.733
  489    HG   LEU  90           HG       LEU  90  -2.864  -5.198   7.280
  490   HD11  LEU  90          HD11      LEU  90  -1.355  -5.425   5.351
  491   HD12  LEU  90          HD12      LEU  90  -2.421  -6.652   4.668
  492   HD13  LEU  90          HD13      LEU  90  -2.999  -4.996   4.868
  493   HD21  LEU  90          HD21      LEU  90  -4.648  -6.849   7.627
  494   HD22  LEU  90          HD22      LEU  90  -4.937  -5.915   6.158
  495   HD23  LEU  90          HD23      LEU  90  -4.316  -7.562   6.049
  496    H    LYS  91           HN       LYS  91  -0.147  -6.722   9.533
  497    HA   LYS  91           HA       LYS  91   1.702  -7.538  10.562
  498    HB2  LYS  91           HB2      LYS  91  -0.475  -8.708  12.291
  499    HB3  LYS  91           HB3      LYS  91   1.192  -8.441  12.787
  500    HG2  LYS  91           HG2      LYS  91   0.939  -6.059  12.524
  501    HG3  LYS  91           HG3      LYS  91  -0.691  -6.272  11.886
  502    HD2  LYS  91           HD2      LYS  91  -1.382  -7.238  14.046
  503    HD3  LYS  91           HD3      LYS  91   0.243  -6.954  14.674
  504    HE2  LYS  91           HE2      LYS  91  -0.020  -4.559  14.296
  505    HE3  LYS  91           HE3      LYS  91  -1.634  -4.833  13.644
  506    HZ1  LYS  91           HZ1      LYS  91  -2.310  -5.703  15.805
  507    HZ2  LYS  91           HZ2      LYS  91  -1.735  -4.111  15.934
  508    HZ3  LYS  91           HZ3      LYS  91  -0.758  -5.402  16.425
  509    H    GLY  92           HN       GLY  92   0.899  -9.341   8.379
  510    HA2  GLY  92           HA1      GLY  92   2.446 -11.618   9.338
  511    HA3  GLY  92           HA2      GLY  92   0.887 -11.925   8.576
  512    H    VAL  93           HN       VAL  93   3.372  -9.548   7.873
  513    HA   VAL  93           HA       VAL  93   3.303 -10.301   5.062
  514    HB   VAL  93           HB       VAL  93   3.610  -7.802   6.482
  515   HG11  VAL  93          HG11      VAL  93   5.704  -8.360   4.386
  516   HG12  VAL  93          HG12      VAL  93   5.354  -6.793   5.116
  517   HG13  VAL  93          HG13      VAL  93   6.011  -8.100   6.105
  518   HG21  VAL  93          HG21      VAL  93   3.387  -8.421   3.547
  519   HG22  VAL  93          HG22      VAL  93   2.020  -8.325   4.670
  520   HG23  VAL  93          HG23      VAL  93   2.997  -6.893   4.339
  521    H    ASP  94           HN       ASP  94   5.010 -11.171   4.030
  522    HA   ASP  94           HA       ASP  94   7.208 -12.066   5.689
  523    HB2  ASP  94           HB2      ASP  94   6.095 -13.532   3.941
  524    HB3  ASP  94           HB3      ASP  94   6.828 -12.500   2.717
  525    H    PHE  95           HN       PHE  95   8.654 -10.542   6.100
  526    HA   PHE  95           HA       PHE  95   8.832  -8.179   4.528
  527    HB2  PHE  95           HB2      PHE  95  10.670  -9.193   6.716
  528    HB3  PHE  95           HB3      PHE  95  10.716  -7.572   6.032
  529    HD1  PHE  95           HD1      PHE  95   8.835  -6.022   6.407
  530    HD2  PHE  95           HD2      PHE  95   9.065  -9.796   8.359
  531    HE1  PHE  95           HE1      PHE  95   7.175  -5.269   8.054
  532    HE2  PHE  95           HE2      PHE  95   7.398  -9.048  10.007
  533    HZ   PHE  95           HZ       PHE  95   6.454  -6.779   9.857
  534    H    GLN  96           HN       GLN  96  10.263 -11.220   4.405
  535    HA   GLN  96           HA       GLN  96  12.678 -10.410   3.052
  536    HB2  GLN  96           HB2      GLN  96  12.476 -12.426   4.567
  537    HB3  GLN  96           HB3      GLN  96  11.525 -13.183   3.292
  538    HG2  GLN  96           HG2      GLN  96  13.879 -13.875   3.285
  539    HG3  GLN  96           HG3      GLN  96  13.376 -13.104   1.781
  540   HE21  GLN  96          HE21      GLN  96  14.141 -11.057   1.283
  541   HE22  GLN  96          HE22      GLN  96  15.529 -10.378   2.065
  542    H    LYS  97           HN       LYS  97   9.500 -11.671   2.227
  543    HA   LYS  97           HA       LYS  97  10.141 -12.013  -0.549
  544    HB2  LYS  97           HB2      LYS  97   8.125 -12.946   1.009
  545    HB3  LYS  97           HB3      LYS  97   7.319 -11.568   0.270
  546    HG2  LYS  97           HG2      LYS  97   8.696 -13.743  -1.290
  547    HG3  LYS  97           HG3      LYS  97   6.977 -13.739  -0.897
  548    HD2  LYS  97           HD2      LYS  97   6.693 -11.644  -2.121
  549    HD3  LYS  97           HD3      LYS  97   8.418 -11.624  -2.497
  550    HE2  LYS  97           HE2      LYS  97   7.099 -12.460  -4.381
  551    HE3  LYS  97           HE3      LYS  97   8.185 -13.699  -3.755
  552    HZ1  LYS  97           HZ1      LYS  97   6.021 -14.637  -4.206
  553    HZ2  LYS  97           HZ2      LYS  97   5.269 -13.489  -3.217
  554    HZ3  LYS  97           HZ3      LYS  97   6.294 -14.645  -2.532
  555    H    PHE  98           HN       PHE  98   9.125  -9.548   1.589
  556    HA   PHE  98           HA       PHE  98   8.383  -7.647  -0.452
  557    HB2  PHE  98           HB2      PHE  98   8.489  -7.661   2.528
  558    HB3  PHE  98           HB3      PHE  98   8.508  -6.109   1.686
  559    HD1  PHE  98           HD1      PHE  98   6.637  -5.384   0.374
  560    HD2  PHE  98           HD2      PHE  98   6.514  -9.071   2.497
  561    HE1  PHE  98           HE1      PHE  98   4.205  -5.476   0.064
  562    HE2  PHE  98           HE2      PHE  98   4.083  -9.167   2.183
  563    HZ   PHE  98           HZ       PHE  98   2.926  -7.370   0.969
  564    H    CYS  99           HN       CYS  99  11.061  -8.853  -0.446
  565    HA   CYS  99           HA       CYS  99  12.950  -6.868   0.376
  566    HB2  CYS  99           HB2      CYS  99  13.428  -9.322   0.131
  567    HB3  CYS  99           HB3      CYS  99  13.278  -9.112  -1.614
  568    HG   CYS  99           HG       CYS  99  15.532  -7.148  -0.006
  569    H    MET 100           HN       MET 100  11.782  -5.067  -0.752
  570    HA   MET 100           HA       MET 100  12.880  -4.889  -3.467
  571    HB2  MET 100           HB2      MET 100  10.378  -3.653  -2.344
  572    HB3  MET 100           HB3      MET 100  11.136  -3.067  -3.816
  573    HG2  MET 100           HG2      MET 100   9.477  -4.471  -4.578
  574    HG3  MET 100           HG3      MET 100  10.934  -5.474  -4.641
  575    HE1  MET 100           HE1      MET 100   7.749  -5.787  -1.317
  576    HE2  MET 100           HE2      MET 100   8.887  -4.444  -1.436
  577    HE3  MET 100           HE3      MET 100   7.647  -4.662  -2.671
  578    H    SER 101           HN       SER 101  14.449  -3.494  -3.706
  579    HA   SER 101           HA       SER 101  14.649  -1.104  -2.124
  580    HB2  SER 101           HB2      SER 101  15.737  -1.600  -4.918
  581    HB3  SER 101           HB3      SER 101  16.301  -0.399  -3.753
  582    HG   SER 101           HG       SER 101  17.575  -1.865  -2.968
  583    H    GLY 102           HN       GLY 102  13.905   1.026  -3.028
  584    HA2  GLY 102           HA1      GLY 102  11.242   0.848  -3.689
  585    HA3  GLY 102           HA2      GLY 102  12.214   2.282  -3.915
  586    H    ALA 103           HN       ALA 103  13.936   1.366  -5.979
  587    HA   ALA 103           HA       ALA 103  12.386   1.696  -8.286
  588    HB1  ALA 103           HB1      ALA 103  14.374   0.855  -9.505
  589    HB2  ALA 103           HB2      ALA 103  14.775   2.082  -8.302
  590    HB3  ALA 103           HB3      ALA 103  15.083   0.380  -7.962
  591    H    ALA 104           HN       ALA 104  13.448  -1.170  -6.586
  592    HA   ALA 104           HA       ALA 104  12.374  -3.062  -8.423
  593    HB1  ALA 104           HB1      ALA 104  14.194  -3.621  -6.872
  594    HB2  ALA 104           HB2      ALA 104  13.094  -3.393  -5.508
  595    HB3  ALA 104           HB3      ALA 104  12.810  -4.697  -6.666
  596    H    LEU 105           HN       LEU 105  11.232  -1.668  -5.287
  597    HA   LEU 105           HA       LEU 105   8.864  -2.833  -4.951
  598    HB2  LEU 105           HB2      LEU 105   9.755  -1.046  -3.528
  599    HB3  LEU 105           HB3      LEU 105   9.413   0.141  -4.784
  600    HG   LEU 105           HG       LEU 105   7.011  -0.458  -4.616
  601   HD11  LEU 105          HD11      LEU 105   7.995  -2.119  -2.316
  602   HD12  LEU 105          HD12      LEU 105   6.308  -1.648  -2.536
  603   HD13  LEU 105          HD13      LEU 105   7.106  -2.663  -3.741
  604   HD21  LEU 105          HD21      LEU 105   6.586   0.734  -2.565
  605   HD22  LEU 105          HD22      LEU 105   8.252   0.467  -2.041
  606   HD23  LEU 105          HD23      LEU 105   7.919   1.476  -3.450
  607    H    CYS 106           HN       CYS 106   9.348   0.000  -6.912
  608    HA   CYS 106           HA       CYS 106   6.823   0.084  -8.072
  609    HB2  CYS 106           HB2      CYS 106   8.499   1.914  -7.953
  610    HB3  CYS 106           HB3      CYS 106   9.429   1.093  -9.197
  611    HG   CYS 106           HG       CYS 106   8.242   2.192 -11.179
  612    H    ALA 107           HN       ALA 107   9.893  -1.253  -9.352
  613    HA   ALA 107           HA       ALA 107   8.961  -1.952 -11.854
  614    HB1  ALA 107           HB1      ALA 107  11.317  -1.818 -11.229
  615    HB2  ALA 107           HB2      ALA 107  11.148  -3.308 -10.304
  616    HB3  ALA 107           HB3      ALA 107  10.927  -3.327 -12.052
  617    H    LEU 108           HN       LEU 108   8.511  -3.799  -8.849
  618    HA   LEU 108           HA       LEU 108   8.136  -6.286 -10.081
  619    HB2  LEU 108           HB2      LEU 108   6.682  -6.838  -8.037
  620    HB3  LEU 108           HB3      LEU 108   8.370  -6.475  -7.781
  621    HG   LEU 108           HG       LEU 108   7.688  -4.159  -7.100
  622   HD11  LEU 108          HD11      LEU 108   5.499  -4.052  -8.163
  623   HD12  LEU 108          HD12      LEU 108   4.922  -5.352  -7.121
  624   HD13  LEU 108          HD13      LEU 108   5.376  -3.793  -6.425
  625   HD21  LEU 108          HD21      LEU 108   6.995  -4.851  -4.885
  626   HD22  LEU 108          HD22      LEU 108   6.560  -6.445  -5.502
  627   HD23  LEU 108          HD23      LEU 108   8.247  -5.928  -5.507
  628    H    GLY 109           HN       GLY 109   5.981  -3.568  -9.767
  629    HA2  GLY 109           HA1      GLY 109   4.060  -3.103 -10.939
  630    HA3  GLY 109           HA2      GLY 109   4.321  -4.582 -11.851
  631    H    LYS 110           HN       LYS 110   1.833  -3.985 -11.305
  632    HA   LYS 110           HA       LYS 110   0.539  -4.752  -9.042
  633    HB2  LYS 110           HB2      LYS 110  -0.303  -4.182 -11.504
  634    HB3  LYS 110           HB3      LYS 110  -0.429  -5.926 -11.622
  635    HG2  LYS 110           HG2      LYS 110  -1.904  -4.100  -9.751
  636    HG3  LYS 110           HG3      LYS 110  -2.566  -5.088 -11.049
  637    HD2  LYS 110           HD2      LYS 110  -1.257  -6.140  -8.552
  638    HD3  LYS 110           HD3      LYS 110  -2.993  -6.010  -8.804
  639    HE2  LYS 110           HE2      LYS 110  -1.129  -7.683 -10.487
  640    HE3  LYS 110           HE3      LYS 110  -2.070  -8.309  -9.131
  641    HZ1  LYS 110           HZ1      LYS 110  -4.095  -7.683 -10.305
  642    HZ2  LYS 110           HZ2      LYS 110  -3.160  -8.737 -11.245
  643    HZ3  LYS 110           HZ3      LYS 110  -3.192  -7.084 -11.607
  644    H    GLU 111           HN       GLU 111   1.364  -7.009 -11.673
  645    HA   GLU 111           HA       GLU 111   0.333  -9.294 -10.589
  646    HB2  GLU 111           HB2      GLU 111   2.853  -9.152 -12.248
  647    HB3  GLU 111           HB3      GLU 111   1.791 -10.542 -12.077
  648    HG2  GLU 111           HG2      GLU 111   1.178  -7.929 -13.434
  649    HG3  GLU 111           HG3      GLU 111   1.355  -9.517 -14.180
  650    H    CYS 112           HN       CYS 112   3.748  -8.378 -10.393
  651    HA   CYS 112           HA       CYS 112   4.475 -10.564  -8.811
  652    HB2  CYS 112           HB2      CYS 112   5.867  -7.907  -9.133
  653    HB3  CYS 112           HB3      CYS 112   6.567  -9.323  -8.356
  654    HG   CYS 112           HG       CYS 112   7.197  -8.589 -11.259
  655    H    PHE 113           HN       PHE 113   3.785  -7.168  -7.835
  656    HA   PHE 113           HA       PHE 113   4.299  -7.470  -5.159
  657    HB2  PHE 113           HB2      PHE 113   3.526  -5.354  -6.489
  658    HB3  PHE 113           HB3      PHE 113   1.919  -5.837  -5.950
  659    HD1  PHE 113           HD2      PHE 113   1.608  -6.263  -3.458
  660    HD2  PHE 113           HD1      PHE 113   4.925  -4.102  -5.053
  661    HE1  PHE 113           HE2      PHE 113   2.049  -5.303  -1.247
  662    HE2  PHE 113           HE1      PHE 113   5.366  -3.163  -2.837
  663    HZ   PHE 113           HZ       PHE 113   3.938  -3.768  -0.931
  664    H    LEU 114           HN       LEU 114   1.185  -8.191  -6.770
  665    HA   LEU 114           HA       LEU 114   0.063  -8.925  -4.218
  666    HB2  LEU 114           HB2      LEU 114  -1.229  -9.680  -6.796
  667    HB3  LEU 114           HB3      LEU 114  -1.964  -9.314  -5.246
  668    HG   LEU 114           HG       LEU 114  -1.002  -7.463  -7.367
  669   HD11  LEU 114          HD11      LEU 114  -3.357  -8.027  -7.225
  670   HD12  LEU 114          HD12      LEU 114  -3.391  -7.530  -5.533
  671   HD13  LEU 114          HD13      LEU 114  -3.105  -6.334  -6.797
  672   HD21  LEU 114          HD21      LEU 114  -0.962  -5.584  -5.860
  673   HD22  LEU 114          HD22      LEU 114  -1.286  -6.646  -4.487
  674   HD23  LEU 114          HD23      LEU 114   0.240  -6.779  -5.361
  675    H    GLU 115           HN       GLU 115   1.766 -10.548  -6.713
  676    HA   GLU 115           HA       GLU 115   1.225 -13.158  -5.691
  677    HB2  GLU 115           HB2      GLU 115   3.431 -12.076  -7.437
  678    HB3  GLU 115           HB3      GLU 115   3.333 -13.765  -6.962
  679    HG2  GLU 115           HG2      GLU 115   1.148 -13.936  -8.057
  680    HG3  GLU 115           HG3      GLU 115   1.288 -12.250  -8.564
  681    H    LEU 116           HN       LEU 116   2.910 -10.506  -4.672
  682    HA   LEU 116           HA       LEU 116   5.152 -11.877  -3.445
  683    HB2  LEU 116           HB2      LEU 116   5.960 -10.005  -4.410
  684    HB3  LEU 116           HB3      LEU 116   4.437  -9.146  -4.280
  685    HG   LEU 116           HG       LEU 116   5.946  -9.545  -1.772
  686   HD11  LEU 116          HD11      LEU 116   6.791  -7.612  -3.909
  687   HD12  LEU 116          HD12      LEU 116   7.408  -7.659  -2.258
  688   HD13  LEU 116          HD13      LEU 116   7.720  -9.004  -3.355
  689   HD21  LEU 116          HD21      LEU 116   4.498  -7.226  -3.005
  690   HD22  LEU 116          HD22      LEU 116   3.821  -8.361  -1.840
  691   HD23  LEU 116          HD23      LEU 116   5.140  -7.293  -1.365
  692    H    ALA 117           HN       ALA 117   2.139 -10.422  -2.606
  693    HA   ALA 117           HA       ALA 117   2.525 -11.343   0.166
  694    HB1  ALA 117           HB1      ALA 117   2.712  -8.894   0.170
  695    HB2  ALA 117           HB2      ALA 117   1.149  -8.772  -0.637
  696    HB3  ALA 117           HB3      ALA 117   1.247  -9.423   1.001
  697    HA   PRO 118           HA       PRO 118  -1.685 -13.101  -0.121
  698    HB2  PRO 118           HB2      PRO 118  -2.546 -10.909   1.715
  699    HB3  PRO 118           HB3      PRO 118  -2.933 -12.632   1.771
  700    HG2  PRO 118           HG2      PRO 118  -1.124 -11.614   3.433
  701    HG3  PRO 118           HG3      PRO 118  -0.873 -13.204   2.688
  702    HD2  PRO 118           HD2      PRO 118   0.420 -10.596   2.069
  703    HD3  PRO 118           HD3      PRO 118   1.079 -12.240   1.946
  704    H    ASP 119           HN       ASP 119  -3.311 -12.709  -1.526
  705    HA   ASP 119           HA       ASP 119  -2.989 -10.793  -3.433
  706    HB2  ASP 119           HB2      ASP 119  -5.198 -11.393  -4.313
  707    HB3  ASP 119           HB3      ASP 119  -4.246 -12.800  -3.865
  708    H    PHE 120           HN       PHE 120  -4.737 -10.236  -0.417
  709    HA   PHE 120           HA       PHE 120  -5.916  -7.859  -1.604
  710    HB2  PHE 120           HB2      PHE 120  -7.389  -9.218  -0.105
  711    HB3  PHE 120           HB3      PHE 120  -6.304  -8.802   1.226
  712    HD1  PHE 120           HD1      PHE 120  -7.393  -6.608  -1.555
  713    HD2  PHE 120           HD2      PHE 120  -7.673  -7.509   2.595
  714    HE1  PHE 120           HE1      PHE 120  -8.661  -4.531  -1.189
  715    HE2  PHE 120           HE2      PHE 120  -8.942  -5.438   2.965
  716    HZ   PHE 120           HZ       PHE 120  -9.298  -3.860   1.045
  717    H    VAL 121           HN       VAL 121  -3.501  -8.931   0.593
  718    HA   VAL 121           HA       VAL 121  -2.966  -6.405   1.769
  719    HB   VAL 121           HB       VAL 121  -1.299  -8.913   1.633
  720   HG11  VAL 121          HG11      VAL 121  -0.151  -7.979   3.603
  721   HG12  VAL 121          HG12      VAL 121   0.071  -6.981   2.164
  722   HG13  VAL 121          HG13      VAL 121  -1.074  -6.486   3.410
  723   HG21  VAL 121          HG21      VAL 121  -3.106  -7.891   3.805
  724   HG22  VAL 121          HG22      VAL 121  -3.586  -9.082   2.587
  725   HG23  VAL 121          HG23      VAL 121  -2.290  -9.458   3.734
  726    H    GLY 122           HN       GLY 122  -1.512  -8.350  -0.810
  727    HA2  GLY 122           HA1      GLY 122   0.483  -6.570  -1.583
  728    HA3  GLY 122           HA2      GLY 122  -0.367  -7.677  -2.657
  729    H    ASP 123           HN       ASP 123  -2.978  -6.673  -2.405
  730    HA   ASP 123           HA       ASP 123  -2.884  -4.552  -4.285
  731    HB2  ASP 123           HB2      ASP 123  -4.652  -6.266  -4.294
  732    HB3  ASP 123           HB3      ASP 123  -5.209  -5.710  -2.720
  733    H    ILE 124           HN       ILE 124  -3.890  -4.813  -0.904
  734    HA   ILE 124           HA       ILE 124  -4.478  -2.203  -0.301
  735    HB   ILE 124           HB       ILE 124  -3.332  -4.482   1.247
  736   HG12  ILE 124          HG12      ILE 124  -5.775  -2.732   1.599
  737   HG13  ILE 124          HG13      ILE 124  -5.736  -4.302   0.803
  738   HG21  ILE 124          HG21      ILE 124  -3.640  -1.712   2.431
  739   HG22  ILE 124          HG22      ILE 124  -3.218  -3.184   3.305
  740   HG23  ILE 124          HG23      ILE 124  -2.103  -2.516   2.112
  741   HD11  ILE 124          HD11      ILE 124  -5.055  -3.830   3.698
  742   HD12  ILE 124          HD12      ILE 124  -6.615  -4.397   3.098
  743   HD13  ILE 124          HD13      ILE 124  -5.174  -5.393   2.877
  744    H    LEU 125           HN       LEU 125  -1.286  -3.704   0.143
  745    HA   LEU 125           HA       LEU 125   0.086  -1.316   0.522
  746    HB2  LEU 125           HB2      LEU 125   0.764  -4.114  -0.124
  747    HB3  LEU 125           HB3      LEU 125   1.997  -2.907  -0.471
  748    HG   LEU 125           HG       LEU 125   0.645  -3.160   2.201
  749   HD11  LEU 125          HD11      LEU 125   2.684  -4.274   2.962
  750   HD12  LEU 125          HD12      LEU 125   1.848  -5.224   1.733
  751   HD13  LEU 125          HD13      LEU 125   3.286  -4.299   1.306
  752   HD21  LEU 125          HD21      LEU 125   2.554  -1.811   2.931
  753   HD22  LEU 125          HD22      LEU 125   3.142  -1.753   1.267
  754   HD23  LEU 125          HD23      LEU 125   1.609  -0.987   1.689
  755    H    TRP 126           HN       TRP 126  -0.608  -3.119  -2.441
  756    HA   TRP 126           HA       TRP 126   0.995  -1.559  -4.145
  757    HB2  TRP 126           HB2      TRP 126   0.213  -3.652  -4.994
  758    HB3  TRP 126           HB3      TRP 126  -1.472  -3.209  -4.718
  759    HD1  TRP 126           HD1      TRP 126  -2.716  -2.146  -6.651
  760    HE1  TRP 126           HE1      TRP 126  -2.047  -1.112  -8.930
  761    HE3  TRP 126           HE3      TRP 126   2.354  -2.482  -6.229
  762    HZ2  TRP 126           HZ2      TRP 126   0.346  -0.565 -10.357
  763    HZ3  TRP 126           HZ3      TRP 126   3.765  -1.706  -8.086
  764    HH2  TRP 126           HH2      TRP 126   2.776  -0.773 -10.112
  765    H    GLU 127           HN       GLU 127  -2.374  -1.152  -3.070
  766    HA   GLU 127           HA       GLU 127  -2.978   1.086  -4.604
  767    HB2  GLU 127           HB2      GLU 127  -3.988  -0.039  -2.094
  768    HB3  GLU 127           HB3      GLU 127  -4.180   1.707  -2.227
  769    HG2  GLU 127           HG2      GLU 127  -5.135  -0.334  -4.211
  770    HG3  GLU 127           HG3      GLU 127  -6.133   0.537  -3.045
  771    H    HIS 128           HN       HIS 128  -1.713   1.092  -1.244
  772    HA   HIS 128           HA       HIS 128  -1.163   3.849  -1.307
  773    HB2  HIS 128           HB2      HIS 128  -1.105   2.329   0.760
  774    HB3  HIS 128           HB3      HIS 128   0.547   1.941   0.273
  775    HD1  HIS 128           HD1      HIS 128   0.804   3.205   2.792
  776    HD2  HIS 128           HD2      HIS 128   0.041   5.558  -0.560
  777    HE1  HIS 128           HE1      HIS 128   1.423   5.551   3.459
  778    HE2  HIS 128           HE2      HIS 128   1.059   6.944   1.393
  779    H    LEU 129           HN       LEU 129   0.752   1.106  -2.468
  780    HA   LEU 129           HA       LEU 129   3.115   2.425  -3.045
  781    HB2  LEU 129           HB2      LEU 129   2.777   0.003  -3.355
  782    HB3  LEU 129           HB3      LEU 129   1.672   0.322  -4.675
  783    HG   LEU 129           HG       LEU 129   3.374   0.850  -6.152
  784   HD11  LEU 129          HD11      LEU 129   4.341   2.606  -4.723
  785   HD12  LEU 129          HD12      LEU 129   5.158   1.361  -3.780
  786   HD13  LEU 129          HD13      LEU 129   5.581   1.596  -5.476
  787   HD21  LEU 129          HD21      LEU 129   5.072  -0.829  -5.936
  788   HD22  LEU 129          HD22      LEU 129   4.780  -0.960  -4.200
  789   HD23  LEU 129          HD23      LEU 129   3.549  -1.495  -5.346
  790    H    GLU 130           HN       GLU 130   0.189   2.055  -4.934
  791    HA   GLU 130           HA       GLU 130   0.986   3.768  -6.967
  792    HB2  GLU 130           HB2      GLU 130  -1.538   2.488  -6.108
  793    HB3  GLU 130           HB3      GLU 130  -1.717   3.949  -7.078
  794    HG2  GLU 130           HG2      GLU 130  -0.032   1.603  -7.908
  795    HG3  GLU 130           HG3      GLU 130  -1.728   1.790  -8.345
  796    H    ILE 131           HN       ILE 131  -0.927   4.330  -4.082
  797    HA   ILE 131           HA       ILE 131  -1.570   6.997  -4.497
  798    HB   ILE 131           HB       ILE 131  -1.252   5.279  -2.103
  799   HG12  ILE 131          HG12      ILE 131  -3.611   5.582  -1.865
  800   HG13  ILE 131          HG13      ILE 131  -3.619   6.966  -2.948
  801   HG21  ILE 131          HG21      ILE 131  -0.427   7.382  -1.291
  802   HG22  ILE 131          HG22      ILE 131  -1.736   8.256  -2.092
  803   HG23  ILE 131          HG23      ILE 131  -2.088   7.203  -0.719
  804   HD11  ILE 131          HD11      ILE 131  -4.642   5.109  -4.038
  805   HD12  ILE 131          HD12      ILE 131  -3.089   5.438  -4.821
  806   HD13  ILE 131          HD13      ILE 131  -3.253   4.072  -3.700
  807    H    LEU 132           HN       LEU 132   1.424   5.635  -3.157
  808    HA   LEU 132           HA       LEU 132   2.629   8.018  -2.352
  809    HB2  LEU 132           HB2      LEU 132   4.141   5.843  -3.772
  810    HB3  LEU 132           HB3      LEU 132   4.730   6.929  -2.528
  811    HG   LEU 132           HG       LEU 132   2.523   5.037  -1.883
  812   HD11  LEU 132          HD11      LEU 132   4.220   3.340  -1.298
  813   HD12  LEU 132          HD12      LEU 132   4.163   3.667  -3.031
  814   HD13  LEU 132          HD13      LEU 132   5.464   4.341  -2.047
  815   HD21  LEU 132          HD21      LEU 132   3.665   5.051   0.326
  816   HD22  LEU 132          HD22      LEU 132   4.874   6.157  -0.321
  817   HD23  LEU 132          HD23      LEU 132   3.192   6.670  -0.193
  818    H    GLN 133           HN       GLN 133   2.280   6.535  -5.474
  819    HA   GLN 133           HA       GLN 133   3.924   8.593  -6.702
  820    HB2  GLN 133           HB2      GLN 133   3.875   7.269  -8.737
  821    HB3  GLN 133           HB3      GLN 133   4.374   6.278  -7.376
  822    HG2  GLN 133           HG2      GLN 133   1.826   5.665  -7.309
  823    HG3  GLN 133           HG3      GLN 133   1.889   6.181  -8.993
  824   HE21  GLN 133          HE21      GLN 133   2.945   3.850  -6.662
  825   HE22  GLN 133          HE22      GLN 133   3.509   2.670  -7.787
  826    H    LYS 134           HN       LYS 134   0.523   7.706  -6.343
  827    HA   LYS 134           HA       LYS 134  -0.857   9.271  -7.927
  828    HB2  LYS 134           HB2      LYS 134  -0.949   8.695  -5.055
  829    HB3  LYS 134           HB3      LYS 134  -1.772  10.188  -5.493
  830    HG2  LYS 134           HG2      LYS 134  -3.284   8.321  -5.458
  831    HG3  LYS 134           HG3      LYS 134  -3.116   8.956  -7.098
  832    HD2  LYS 134           HD2      LYS 134  -1.210   7.135  -7.230
  833    HD3  LYS 134           HD3      LYS 134  -2.162   6.378  -5.942
  834    HE2  LYS 134           HE2      LYS 134  -4.159   6.529  -7.303
  835    HE3  LYS 134           HE3      LYS 134  -3.230   7.327  -8.576
  836    HZ1  LYS 134           HZ1      LYS 134  -3.171   4.507  -7.719
  837    HZ2  LYS 134           HZ2      LYS 134  -1.828   5.179  -8.516
  838    HZ3  LYS 134           HZ3      LYS 134  -3.342   5.142  -9.283
  839    H    GLU 135           HN       GLU 135   1.091  10.532  -5.291
  840    HA   GLU 135           HA       GLU 135   0.518  13.243  -5.604
  841    HB2  GLU 135           HB2      GLU 135   2.018  11.728  -3.897
  842    HB3  GLU 135           HB3      GLU 135   3.264  12.608  -4.768
  843    HG2  GLU 135           HG2      GLU 135   0.938  13.868  -3.330
  844    HG3  GLU 135           HG3      GLU 135   2.569  13.715  -2.685
  845    H    ASP 136           HN       ASP 136   2.697  11.159  -7.358
  846    HA   ASP 136           HA       ASP 136   3.962  13.345  -8.786
  847    HB2  ASP 136           HB2      ASP 136   5.180  11.234  -8.260
  848    HB3  ASP 136           HB3      ASP 136   4.071  10.361  -9.309
  849    H    VAL 137           HN       VAL 137   1.315  11.153  -9.118
  850    HA   VAL 137           HA       VAL 137   0.750  11.525 -11.874
  851    HB   VAL 137           HB       VAL 137  -1.224  10.869  -9.675
  852   HG11  VAL 137          HG11      VAL 137  -1.289  10.283 -12.634
  853   HG12  VAL 137          HG12      VAL 137  -2.497   9.774 -11.454
  854   HG13  VAL 137          HG13      VAL 137  -2.265  11.489 -11.792
  855   HG21  VAL 137          HG21      VAL 137   0.495   8.986 -11.287
  856   HG22  VAL 137          HG22      VAL 137   0.613   9.298  -9.554
  857   HG23  VAL 137          HG23      VAL 137  -0.818   8.504 -10.212
  858    H    LYS 138           HN       LYS 138  -0.449  13.090  -8.919
  859    HA   LYS 138           HA       LYS 138  -2.158  14.887 -10.390
  860    HB2  LYS 138           HB2      LYS 138  -2.522  15.932  -8.113
  861    HB3  LYS 138           HB3      LYS 138  -3.003  14.249  -8.275
  862    HG2  LYS 138           HG2      LYS 138  -1.360  13.499  -6.885
  863    HG3  LYS 138           HG3      LYS 138  -0.273  14.835  -7.266
  864    HD2  LYS 138           HD2      LYS 138  -2.796  15.097  -5.632
  865    HD3  LYS 138           HD3      LYS 138  -1.177  14.914  -4.952
  866    HE2  LYS 138           HE2      LYS 138  -2.180  17.171  -6.681
  867    HE3  LYS 138           HE3      LYS 138  -1.764  17.250  -4.970
  868    HZ1  LYS 138           HZ1      LYS 138   0.120  16.705  -7.206
  869    HZ2  LYS 138           HZ2      LYS 138   0.538  16.714  -5.560
  870    HZ3  LYS 138           HZ3      LYS 138   0.016  18.145  -6.314
  Start of MODEL    3
    1    H1   MET  29           H1       MET  29 -31.362  -0.981   4.093
    2    H2   MET  29           H2       MET  29 -30.817  -0.366   5.573
    3    H3   MET  29           H3       MET  29 -31.049  -2.032   5.382
    4    HA   MET  29           HA       MET  29 -29.287  -2.151   3.769
    5    HB2  MET  29           HB2      MET  29 -28.932   0.789   4.404
    6    HB3  MET  29           HB3      MET  29 -27.809  -0.181   3.458
    7    HG2  MET  29           HG2      MET  29 -30.663   0.450   2.741
    8    HG3  MET  29           HG3      MET  29 -29.220   1.164   2.023
    9    HE1  MET  29           HE1      MET  29 -27.652  -1.890   0.141
   10    HE2  MET  29           HE2      MET  29 -27.521  -0.164   0.482
   11    HE3  MET  29           HE3      MET  29 -27.283  -1.340   1.776
   12    H    GLU  30           HN       GLU  30 -26.783  -1.485   4.511
   13    HA   GLU  30           HA       GLU  30 -26.548  -2.663   7.104
   14    HB2  GLU  30           HB2      GLU  30 -24.092  -2.219   6.837
   15    HB3  GLU  30           HB3      GLU  30 -24.809  -3.176   5.553
   16    HG2  GLU  30           HG2      GLU  30 -24.313  -0.217   5.324
   17    HG3  GLU  30           HG3      GLU  30 -23.146  -1.443   4.831
   18    H    CYS  31           HN       CYS  31 -26.034   0.589   5.807
   19    HA   CYS  31           HA       CYS  31 -25.775   1.684   8.474
   20    HB2  CYS  31           HB2      CYS  31 -26.038   3.074   5.801
   21    HB3  CYS  31           HB3      CYS  31 -25.656   3.859   7.331
   22    HG   CYS  31           HG       CYS  31 -23.377   3.580   5.607
   23    H    ALA  32           HN       ALA  32 -27.293   3.645   8.945
   24    HA   ALA  32           HA       ALA  32 -29.828   2.534   9.370
   25    HB1  ALA  32           HB1      ALA  32 -28.804   4.265  10.797
   26    HB2  ALA  32           HB2      ALA  32 -29.082   5.450   9.520
   27    HB3  ALA  32           HB3      ALA  32 -30.452   4.666  10.307
   28    H    ASP  33           HN       ASP  33 -29.132   5.447   7.415
   29    HA   ASP  33           HA       ASP  33 -31.566   4.811   5.880
   30    HB2  ASP  33           HB2      ASP  33 -31.761   6.876   7.177
   31    HB3  ASP  33           HB3      ASP  33 -30.304   7.507   6.416
   32    H    VAL  34           HN       VAL  34 -28.177   5.455   5.681
   33    HA   VAL  34           HA       VAL  34 -28.331   5.973   2.811
   34    HB   VAL  34           HB       VAL  34 -26.898   7.506   3.951
   35   HG11  VAL  34          HG11      VAL  34 -26.428   6.206   5.958
   36   HG12  VAL  34          HG12      VAL  34 -25.387   5.129   5.029
   37   HG13  VAL  34          HG13      VAL  34 -24.938   6.821   5.243
   38   HG21  VAL  34          HG21      VAL  34 -26.121   6.785   1.753
   39   HG22  VAL  34          HG22      VAL  34 -24.759   7.155   2.810
   40   HG23  VAL  34          HG23      VAL  34 -25.201   5.476   2.495
   41    HA   PRO  35           HA       PRO  35 -27.233   1.696   1.927
   42    HB2  PRO  35           HB2      PRO  35 -27.075   2.799  -0.811
   43    HB3  PRO  35           HB3      PRO  35 -28.038   1.450  -0.197
   44    HG2  PRO  35           HG2      PRO  35 -29.193   3.757  -0.853
   45    HG3  PRO  35           HG3      PRO  35 -29.734   2.828   0.559
   46    HD2  PRO  35           HD2      PRO  35 -27.958   5.247   0.457
   47    HD3  PRO  35           HD3      PRO  35 -29.312   4.891   1.554
   48    H    LEU  36           HN       LEU  36 -25.243   0.991   2.127
   49    HA   LEU  36           HA       LEU  36 -23.041   2.722   1.217
   50    HB2  LEU  36           HB2      LEU  36 -23.252   2.136   3.667
   51    HB3  LEU  36           HB3      LEU  36 -22.916   0.473   3.223
   52    HG   LEU  36           HG       LEU  36 -20.720   1.205   2.308
   53   HD11  LEU  36          HD11      LEU  36 -21.504   3.849   3.525
   54   HD12  LEU  36          HD12      LEU  36 -19.891   3.432   2.946
   55   HD13  LEU  36          HD13      LEU  36 -21.242   3.514   1.814
   56   HD21  LEU  36          HD21      LEU  36 -20.862   0.284   4.548
   57   HD22  LEU  36          HD22      LEU  36 -19.662   1.575   4.495
   58   HD23  LEU  36          HD23      LEU  36 -21.251   1.876   5.200
   59    H    LEU  37           HN       LEU  37 -21.253   1.762   0.157
   60    HA   LEU  37           HA       LEU  37 -21.877  -0.382  -1.598
   61    HB2  LEU  37           HB2      LEU  37 -19.269   0.996  -0.951
   62    HB3  LEU  37           HB3      LEU  37 -19.410  -0.268  -2.155
   63    HG   LEU  37           HG       LEU  37 -19.423   1.758  -3.349
   64   HD11  LEU  37          HD11      LEU  37 -21.646   1.831  -4.365
   65   HD12  LEU  37          HD12      LEU  37 -21.082   0.177  -4.124
   66   HD13  LEU  37          HD13      LEU  37 -22.280   0.867  -3.032
   67   HD21  LEU  37          HD21      LEU  37 -20.876   3.644  -2.859
   68   HD22  LEU  37          HD22      LEU  37 -21.553   2.783  -1.478
   69   HD23  LEU  37          HD23      LEU  37 -19.858   3.265  -1.469
   70    H    THR  38           HN       THR  38 -21.325  -2.501  -1.489
   71    HA   THR  38           HA       THR  38 -21.135  -3.659   1.063
   72    HB   THR  38           HB       THR  38 -20.588  -5.776  -0.377
   73    HG1  THR  38           HG1      THR  38 -21.587  -5.220  -2.591
   74   HG21  THR  38          HG21      THR  38 -22.758  -5.321   0.663
   75   HG22  THR  38          HG22      THR  38 -22.960  -6.007  -0.948
   76   HG23  THR  38          HG23      THR  38 -23.194  -4.279  -0.689
   77    HA   PRO  39           HA       PRO  39 -16.683  -3.453   1.230
   78    HB2  PRO  39           HB2      PRO  39 -16.698  -3.229   4.004
   79    HB3  PRO  39           HB3      PRO  39 -16.737  -1.882   2.866
   80    HG2  PRO  39           HG2      PRO  39 -18.794  -2.673   4.652
   81    HG3  PRO  39           HG3      PRO  39 -18.886  -1.437   3.386
   82    HD2  PRO  39           HD2      PRO  39 -19.805  -4.268   3.341
   83    HD3  PRO  39           HD3      PRO  39 -20.457  -2.850   2.487
   84    H    SER  40           HN       SER  40 -16.288  -5.605   0.647
   85    HA   SER  40           HA       SER  40 -16.004  -7.356   2.995
   86    HB2  SER  40           HB2      SER  40 -16.265  -8.239   0.112
   87    HB3  SER  40           HB3      SER  40 -16.233  -9.275   1.537
   88    HG   SER  40           HG       SER  40 -18.200  -8.247   2.206
   89    H    SER  41           HN       SER  41 -14.600  -7.081  -0.308
   90    HA   SER  41           HA       SER  41 -12.000  -7.595   0.888
   91    HB2  SER  41           HB2      SER  41 -12.739  -7.277  -2.027
   92    HB3  SER  41           HB3      SER  41 -11.202  -7.871  -1.393
   93    HG   SER  41           HG       SER  41 -12.642  -9.573  -2.011
   94    H    LYS  42           HN       LYS  42 -13.135  -5.191  -1.567
   95    HA   LYS  42           HA       LYS  42 -10.734  -3.708  -0.893
   96    HB2  LYS  42           HB2      LYS  42 -11.160  -4.140  -3.252
   97    HB3  LYS  42           HB3      LYS  42 -12.638  -3.188  -3.163
   98    HG2  LYS  42           HG2      LYS  42 -11.406  -1.195  -2.680
   99    HG3  LYS  42           HG3      LYS  42  -9.892  -2.099  -2.529
  100    HD2  LYS  42           HD2      LYS  42 -11.536  -1.947  -5.068
  101    HD3  LYS  42           HD3      LYS  42 -10.209  -0.848  -4.696
  102    HE2  LYS  42           HE2      LYS  42  -9.968  -3.847  -4.880
  103    HE3  LYS  42           HE3      LYS  42  -9.547  -2.721  -6.170
  104    HZ1  LYS  42           HZ1      LYS  42  -7.856  -1.757  -4.763
  105    HZ2  LYS  42           HZ2      LYS  42  -7.612  -3.428  -4.868
  106    HZ3  LYS  42           HZ3      LYS  42  -8.295  -2.764  -3.477
  107    H    GLU  43           HN       GLU  43 -14.223  -3.176  -0.511
  108    HA   GLU  43           HA       GLU  43 -14.033  -0.359  -0.351
  109    HB2  GLU  43           HB2      GLU  43 -16.178  -1.598  -0.600
  110    HB3  GLU  43           HB3      GLU  43 -16.028  -2.115   1.069
  111    HG2  GLU  43           HG2      GLU  43 -17.570  -0.244   0.828
  112    HG3  GLU  43           HG3      GLU  43 -16.187   0.163   1.841
  113    H    MET  44           HN       MET  44 -13.378  -2.903   1.949
  114    HA   MET  44           HA       MET  44 -13.044  -1.447   4.274
  115    HB2  MET  44           HB2      MET  44 -11.404  -3.747   3.206
  116    HB3  MET  44           HB3      MET  44 -11.245  -3.111   4.839
  117    HG2  MET  44           HG2      MET  44 -13.715  -4.338   3.633
  118    HG3  MET  44           HG3      MET  44 -12.645  -5.079   4.824
  119    HE1  MET  44           HE1      MET  44 -14.962  -5.553   6.182
  120    HE2  MET  44           HE2      MET  44 -16.034  -4.267   6.735
  121    HE3  MET  44           HE3      MET  44 -15.905  -4.626   5.013
  122    H    MET  45           HN       MET  45 -10.500  -2.103   1.827
  123    HA   MET  45           HA       MET  45  -8.707  -0.212   2.936
  124    HB2  MET  45           HB2      MET  45  -7.343  -0.499   1.012
  125    HB3  MET  45           HB3      MET  45  -8.038  -2.076   1.381
  126    HG2  MET  45           HG2      MET  45  -9.824  -1.447  -0.357
  127    HG3  MET  45           HG3      MET  45  -8.688  -0.193  -0.853
  128    HE1  MET  45           HE1      MET  45  -6.291  -0.726  -1.980
  129    HE2  MET  45           HE2      MET  45  -5.961  -1.452  -0.405
  130    HE3  MET  45           HE3      MET  45  -5.587  -2.342  -1.879
  131    H    SER  46           HN       SER  46 -11.214   0.060   0.482
  132    HA   SER  46           HA       SER  46 -10.583   2.569  -0.502
  133    HB2  SER  46           HB2      SER  46 -12.364   1.085  -1.385
  134    HB3  SER  46           HB3      SER  46 -13.361   1.487   0.011
  135    HG   SER  46           HG       SER  46 -13.899   3.281  -0.923
  136    H    GLN  47           HN       GLN  47 -12.654   1.780   2.316
  137    HA   GLN  47           HA       GLN  47 -12.710   4.528   3.103
  138    HB2  GLN  47           HB2      GLN  47 -13.777   3.733   5.190
  139    HB3  GLN  47           HB3      GLN  47 -14.582   3.165   3.738
  140    HG2  GLN  47           HG2      GLN  47 -13.559   0.983   3.998
  141    HG3  GLN  47           HG3      GLN  47 -12.682   1.549   5.420
  142   HE21  GLN  47          HE21      GLN  47 -14.640  -0.618   5.123
  143   HE22  GLN  47          HE22      GLN  47 -15.893  -0.270   6.257
  144    H    ALA  48           HN       ALA  48 -10.947   1.672   4.373
  145    HA   ALA  48           HA       ALA  48  -9.739   3.186   6.458
  146    HB1  ALA  48           HB1      ALA  48  -8.452   1.206   6.953
  147    HB2  ALA  48           HB2      ALA  48 -10.130   0.763   6.627
  148    HB3  ALA  48           HB3      ALA  48  -8.891   0.501   5.398
  149    H    LEU  49           HN       LEU  49  -8.380   1.899   3.355
  150    HA   LEU  49           HA       LEU  49  -5.743   2.734   4.026
  151    HB2  LEU  49           HB2      LEU  49  -7.052   1.273   1.894
  152    HB3  LEU  49           HB3      LEU  49  -5.977   2.498   1.236
  153    HG   LEU  49           HG       LEU  49  -5.264   0.199   3.023
  154   HD11  LEU  49          HD11      LEU  49  -5.496  -0.247   0.649
  155   HD12  LEU  49          HD12      LEU  49  -4.374   1.062   0.286
  156   HD13  LEU  49          HD13      LEU  49  -3.810  -0.365   1.153
  157   HD21  LEU  49          HD21      LEU  49  -3.492   2.494   2.192
  158   HD22  LEU  49          HD22      LEU  49  -4.044   2.158   3.831
  159   HD23  LEU  49          HD23      LEU  49  -2.963   1.029   3.015
  160    H    LYS  50           HN       LYS  50  -8.118   3.821   1.645
  161    HA   LYS  50           HA       LYS  50  -6.520   5.818   0.584
  162    HB2  LYS  50           HB2      LYS  50  -9.535   5.855   0.628
  163    HB3  LYS  50           HB3      LYS  50  -8.470   6.580  -0.571
  164    HG2  LYS  50           HG2      LYS  50  -8.819   3.630  -0.058
  165    HG3  LYS  50           HG3      LYS  50  -9.481   4.536  -1.419
  166    HD2  LYS  50           HD2      LYS  50  -6.527   4.250  -0.829
  167    HD3  LYS  50           HD3      LYS  50  -7.412   3.246  -1.977
  168    HE2  LYS  50           HE2      LYS  50  -7.093   6.246  -2.123
  169    HE3  LYS  50           HE3      LYS  50  -6.219   5.065  -3.097
  170    HZ1  LYS  50           HZ1      LYS  50  -9.172   5.402  -3.111
  171    HZ2  LYS  50           HZ2      LYS  50  -8.265   4.384  -4.121
  172    HZ3  LYS  50           HZ3      LYS  50  -8.121   6.064  -4.262
  173    H    ALA  51           HN       ALA  51  -8.583   5.810   3.371
  174    HA   ALA  51           HA       ALA  51  -8.430   8.654   3.819
  175    HB1  ALA  51           HB1      ALA  51 -10.353   7.389   4.613
  176    HB2  ALA  51           HB2      ALA  51  -9.304   6.454   5.680
  177    HB3  ALA  51           HB3      ALA  51  -9.515   8.185   5.944
  178    H    THR  52           HN       THR  52  -6.762   5.761   5.019
  179    HA   THR  52           HA       THR  52  -5.633   7.073   7.279
  180    HB   THR  52           HB       THR  52  -6.081   4.620   7.195
  181    HG1  THR  52           HG1      THR  52  -4.588   4.450   8.710
  182   HG21  THR  52          HG21      THR  52  -4.434   3.157   6.102
  183   HG22  THR  52          HG22      THR  52  -3.615   4.572   5.439
  184   HG23  THR  52          HG23      THR  52  -5.252   4.179   4.919
  185    H    PHE  53           HN       PHE  53  -4.771   7.307   4.072
  186    HA   PHE  53           HA       PHE  53  -2.084   6.752   3.979
  187    HB2  PHE  53           HB2      PHE  53  -3.633   8.858   2.482
  188    HB3  PHE  53           HB3      PHE  53  -1.954   8.464   2.126
  189    HD1  PHE  53           HD2      PHE  53  -2.066   5.510   2.526
  190    HD2  PHE  53           HD1      PHE  53  -4.709   8.175   0.534
  191    HE1  PHE  53           HE2      PHE  53  -2.813   3.680   1.067
  192    HE2  PHE  53           HE1      PHE  53  -5.468   6.346  -0.920
  193    HZ   PHE  53           HZ       PHE  53  -4.482   4.092  -0.672
  194    H    SER  54           HN       SER  54  -3.609   9.559   5.364
  195    HA   SER  54           HA       SER  54  -1.485  11.358   5.398
  196    HB2  SER  54           HB2      SER  54  -2.659  12.268   7.449
  197    HB3  SER  54           HB3      SER  54  -3.675  12.094   6.017
  198    HG   SER  54           HG       SER  54  -4.795  11.220   7.729
  199    H    GLY  55           HN       GLY  55  -2.059   8.495   7.287
  200    HA2  GLY  55           HA1      GLY  55  -0.451   8.930   9.505
  201    HA3  GLY  55           HA2      GLY  55  -0.763   7.364   8.775
  202    H    PHE  56           HN       PHE  56   0.571   7.065   6.619
  203    HA   PHE  56           HA       PHE  56   3.314   7.328   7.504
  204    HB2  PHE  56           HB2      PHE  56   2.461   5.188   6.512
  205    HB3  PHE  56           HB3      PHE  56   2.342   6.022   4.965
  206    HD1  PHE  56           HD1      PHE  56   4.775   5.216   7.656
  207    HD2  PHE  56           HD2      PHE  56   4.156   6.067   3.533
  208    HE1  PHE  56           HE1      PHE  56   7.145   4.733   7.203
  209    HE2  PHE  56           HE2      PHE  56   6.520   5.583   3.073
  210    HZ   PHE  56           HZ       PHE  56   8.018   4.913   4.907
  211    H    THR  57           HN       THR  57   1.320   8.367   4.795
  212    HA   THR  57           HA       THR  57   3.227   9.459   3.125
  213    HB   THR  57           HB       THR  57   0.446  10.437   3.724
  214    HG1  THR  57           HG1      THR  57   0.917   9.278   1.283
  215   HG21  THR  57          HG21      THR  57   2.230  11.197   1.413
  216   HG22  THR  57          HG22      THR  57   1.717  12.257   2.724
  217   HG23  THR  57          HG23      THR  57   0.528  11.627   1.584
  218    H    LYS  58           HN       LYS  58   2.000  10.778   6.143
  219    HA   LYS  58           HA       LYS  58   3.101  13.413   5.602
  220    HB2  LYS  58           HB2      LYS  58   0.972  13.264   6.813
  221    HB3  LYS  58           HB3      LYS  58   1.750  12.329   8.082
  222    HG2  LYS  58           HG2      LYS  58   3.033  14.190   8.788
  223    HG3  LYS  58           HG3      LYS  58   2.592  15.121   7.354
  224    HD2  LYS  58           HD2      LYS  58   0.273  15.184   8.091
  225    HD3  LYS  58           HD3      LYS  58   0.677  14.203   9.499
  226    HE2  LYS  58           HE2      LYS  58   2.039  15.941  10.405
  227    HE3  LYS  58           HE3      LYS  58   1.907  16.888   8.923
  228    HZ1  LYS  58           HZ1      LYS  58  -0.511  16.166  10.450
  229    HZ2  LYS  58           HZ2      LYS  58  -0.265  17.465   9.383
  230    HZ3  LYS  58           HZ3      LYS  58   0.437  17.490  10.926
  231    H    GLU  59           HN       GLU  59   3.823  10.497   7.372
  232    HA   GLU  59           HA       GLU  59   5.994  11.737   8.852
  233    HB2  GLU  59           HB2      GLU  59   5.635  10.086  10.305
  234    HB3  GLU  59           HB3      GLU  59   4.383   9.432   9.251
  235    HG2  GLU  59           HG2      GLU  59   5.912   7.996   8.175
  236    HG3  GLU  59           HG3      GLU  59   7.305   8.807   8.912
  237    H    GLN  60           HN       GLN  60   5.464   9.816   6.043
  238    HA   GLN  60           HA       GLN  60   8.027   8.852   5.502
  239    HB2  GLN  60           HB2      GLN  60   5.786   8.408   4.317
  240    HB3  GLN  60           HB3      GLN  60   6.083   9.904   3.445
  241    HG2  GLN  60           HG2      GLN  60   8.335   8.093   3.341
  242    HG3  GLN  60           HG3      GLN  60   6.857   7.402   2.682
  243   HE21  GLN  60          HE21      GLN  60   7.475   7.449   0.631
  244   HE22  GLN  60          HE22      GLN  60   7.777   8.870  -0.262
  245    H    GLN  61           HN       GLN  61   6.414  11.826   4.554
  246    HA   GLN  61           HA       GLN  61   8.625  13.136   3.383
  247    HB2  GLN  61           HB2      GLN  61   6.187  14.230   4.793
  248    HB3  GLN  61           HB3      GLN  61   7.271  15.182   3.775
  249    HG2  GLN  61           HG2      GLN  61   6.676  13.934   1.833
  250    HG3  GLN  61           HG3      GLN  61   5.779  12.763   2.796
  251   HE21  GLN  61          HE21      GLN  61   3.899  13.074   1.656
  252   HE22  GLN  61          HE22      GLN  61   2.943  14.508   1.818
  253    H    ARG  62           HN       ARG  62   7.524  12.788   6.669
  254    HA   ARG  62           HA       ARG  62   9.142  14.801   7.842
  255    HB2  ARG  62           HB2      ARG  62   7.107  13.943   8.884
  256    HB3  ARG  62           HB3      ARG  62   7.839  12.353   9.026
  257    HG2  ARG  62           HG2      ARG  62   7.905  13.393  11.166
  258    HG3  ARG  62           HG3      ARG  62   9.550  13.326  10.538
  259    HD2  ARG  62           HD2      ARG  62   7.773  15.755  10.348
  260    HD3  ARG  62           HD3      ARG  62   8.931  15.485  11.647
  261    HE   ARG  62           HE       ARG  62  10.493  15.270   9.485
  262   HH11  ARG  62          HH12      ARG  62   8.135  17.676  10.435
  263   HH12  ARG  62          HH11      ARG  62   8.906  18.967   9.557
  264   HH21  ARG  62          HH22      ARG  62  11.501  16.950   8.304
  265   HH22  ARG  62          HH21      ARG  62  10.811  18.551   8.326
  266    H    LEU  63           HN       LEU  63   9.436  11.286   7.576
  267    HA   LEU  63           HA       LEU  63  11.980  11.126   8.836
  268    HB2  LEU  63           HB2      LEU  63  10.550   9.145   7.084
  269    HB3  LEU  63           HB3      LEU  63  11.971   8.795   8.052
  270    HG   LEU  63           HG       LEU  63   9.252   9.574   9.115
  271   HD11  LEU  63          HD11      LEU  63  10.732   6.951   9.228
  272   HD12  LEU  63          HD12      LEU  63   9.157   7.299   9.943
  273   HD13  LEU  63          HD13      LEU  63   9.349   7.307   8.192
  274   HD21  LEU  63          HD21      LEU  63  11.778   8.814  10.575
  275   HD22  LEU  63          HD22      LEU  63  11.053  10.420  10.523
  276   HD23  LEU  63          HD23      LEU  63  10.201   9.094  11.312
  277    H    GLY  64           HN       GLY  64  11.314  12.636   6.167
  278    HA2  GLY  64           HA1      GLY  64  12.541  13.302   4.350
  279    HA3  GLY  64           HA2      GLY  64  13.941  12.595   5.151
  280    H    ILE  65           HN       ILE  65  11.187  10.625   4.565
  281    HA   ILE  65           HA       ILE  65  12.767   8.931   2.910
  282    HB   ILE  65           HB       ILE  65   9.867   8.691   3.743
  283   HG12  ILE  65          HG12      ILE  65  12.411   7.346   4.667
  284   HG13  ILE  65          HG13      ILE  65  11.323   8.351   5.617
  285   HG21  ILE  65          HG21      ILE  65  11.585   6.719   2.223
  286   HG22  ILE  65          HG22      ILE  65   9.969   6.397   2.856
  287   HG23  ILE  65          HG23      ILE  65  10.196   7.602   1.588
  288   HD11  ILE  65          HD11      ILE  65  10.699   5.619   4.504
  289   HD12  ILE  65          HD12      ILE  65  11.067   6.010   6.187
  290   HD13  ILE  65          HD13      ILE  65   9.592   6.630   5.442
  291    HA   PRO  66           HA       PRO  66  11.811  10.886  -1.022
  292    HB2  PRO  66           HB2      PRO  66  11.810   7.988  -1.737
  293    HB3  PRO  66           HB3      PRO  66  12.586   9.340  -2.574
  294    HG2  PRO  66           HG2      PRO  66  14.016   7.678  -1.080
  295    HG3  PRO  66           HG3      PRO  66  14.350   9.422  -1.056
  296    HD2  PRO  66           HD2      PRO  66  13.041   7.714   0.981
  297    HD3  PRO  66           HD3      PRO  66  13.980   9.206   1.188
  298    H    LYS  67           HN       LYS  67   9.739  11.522  -1.390
  299    HA   LYS  67           HA       LYS  67   7.426  10.202  -0.622
  300    HB2  LYS  67           HB2      LYS  67   6.262  11.776  -2.180
  301    HB3  LYS  67           HB3      LYS  67   7.390  12.545  -1.072
  302    HG2  LYS  67           HG2      LYS  67   9.065  12.599  -2.903
  303    HG3  LYS  67           HG3      LYS  67   7.831  11.958  -3.993
  304    HD2  LYS  67           HD2      LYS  67   6.478  13.889  -3.729
  305    HD3  LYS  67           HD3      LYS  67   7.456  14.474  -2.383
  306    HE2  LYS  67           HE2      LYS  67   9.342  14.814  -3.891
  307    HE3  LYS  67           HE3      LYS  67   8.386  14.196  -5.238
  308    HZ1  LYS  67           HZ1      LYS  67   8.468  16.647  -5.122
  309    HZ2  LYS  67           HZ2      LYS  67   7.654  16.582  -3.636
  310    HZ3  LYS  67           HZ3      LYS  67   6.892  16.025  -5.048
  311    H    ASP  68           HN       ASP  68   9.065  10.092  -3.744
  312    HA   ASP  68           HA       ASP  68   7.120   8.352  -4.987
  313    HB2  ASP  68           HB2      ASP  68   8.732   9.959  -6.173
  314    HB3  ASP  68           HB3      ASP  68  10.012   8.809  -5.789
  315    HA   PRO  69           HA       PRO  69   9.048   4.699  -3.254
  316    HB2  PRO  69           HB2      PRO  69   7.869   2.771  -4.666
  317    HB3  PRO  69           HB3      PRO  69   6.950   3.792  -3.556
  318    HG2  PRO  69           HG2      PRO  69   7.077   3.848  -6.524
  319    HG3  PRO  69           HG3      PRO  69   5.719   4.215  -5.449
  320    HD2  PRO  69           HD2      PRO  69   7.434   6.078  -6.686
  321    HD3  PRO  69           HD3      PRO  69   6.267   6.419  -5.391
  322    H    ARG  70           HN       ARG  70   9.551   5.482  -6.583
  323    HA   ARG  70           HA       ARG  70  10.865   3.063  -7.346
  324    HB2  ARG  70           HB2      ARG  70  10.513   5.729  -8.653
  325    HB3  ARG  70           HB3      ARG  70  11.628   4.556  -9.335
  326    HG2  ARG  70           HG2      ARG  70   9.573   4.316 -10.471
  327    HG3  ARG  70           HG3      ARG  70   9.739   2.924  -9.402
  328    HD2  ARG  70           HD2      ARG  70   7.496   3.626  -9.186
  329    HD3  ARG  70           HD3      ARG  70   8.322   4.211  -7.737
  330    HE   ARG  70           HE       ARG  70   8.233   6.407  -8.559
  331   HH11  ARG  70          HH12      ARG  70   6.654   4.136 -10.717
  332   HH12  ARG  70          HH11      ARG  70   5.686   5.348 -11.483
  333   HH21  ARG  70          HH22      ARG  70   6.968   7.987  -9.537
  334   HH22  ARG  70          HH21      ARG  70   5.881   7.561 -10.828
  335    H    GLN  71           HN       GLN  71  11.993   5.119  -5.212
  336    HA   GLN  71           HA       GLN  71  14.771   4.624  -5.991
  337    HB2  GLN  71           HB2      GLN  71  15.509   6.836  -5.673
  338    HB3  GLN  71           HB3      GLN  71  14.018   7.004  -6.593
  339    HG2  GLN  71           HG2      GLN  71  14.296   7.349  -3.621
  340    HG3  GLN  71           HG3      GLN  71  14.155   8.644  -4.809
  341   HE21  GLN  71          HE21      GLN  71  12.502   5.914  -3.337
  342   HE22  GLN  71          HE22      GLN  71  10.897   6.472  -3.678
  343    H    TRP  72           HN       TRP  72  12.726   3.725  -3.892
  344    HA   TRP  72           HA       TRP  72  13.732   4.633  -1.395
  345    HB2  TRP  72           HB2      TRP  72  11.766   2.592  -2.370
  346    HB3  TRP  72           HB3      TRP  72  12.358   2.448  -0.717
  347    HD1  TRP  72           HD1      TRP  72  12.314   5.951  -0.875
  348    HE1  TRP  72           HE1      TRP  72  10.045   6.959  -0.197
  349    HE3  TRP  72           HE3      TRP  72   9.420   1.783  -1.294
  350    HZ2  TRP  72           HZ2      TRP  72   7.371   6.088   0.119
  351    HZ3  TRP  72           HZ3      TRP  72   7.027   1.946  -0.786
  352    HH2  TRP  72           HH2      TRP  72   6.024   4.048  -0.100
  353    H    THR  73           HN       THR  73  14.904   3.411   0.152
  354    HA   THR  73           HA       THR  73  16.526   1.255  -0.853
  355    HB   THR  73           HB       THR  73  17.475   1.175   1.402
  356    HG1  THR  73           HG1      THR  73  16.627   2.346   3.072
  357   HG21  THR  73          HG21      THR  73  17.133   4.051   0.531
  358   HG22  THR  73          HG22      THR  73  18.281   2.912  -0.177
  359   HG23  THR  73          HG23      THR  73  18.445   3.392   1.512
  360    H    GLU  74           HN       GLU  74  16.535  -0.847   0.531
  361    HA   GLU  74           HA       GLU  74  13.976  -2.005   0.374
  362    HB2  GLU  74           HB2      GLU  74  16.356  -2.978   1.966
  363    HB3  GLU  74           HB3      GLU  74  14.969  -3.946   1.479
  364    HG2  GLU  74           HG2      GLU  74  15.564  -3.516  -0.887
  365    HG3  GLU  74           HG3      GLU  74  17.017  -2.688  -0.329
  366    H    THR  75           HN       THR  75  15.514  -0.167   2.820
  367    HA   THR  75           HA       THR  75  13.903  -1.041   5.016
  368    HB   THR  75           HB       THR  75  15.401   1.570   4.771
  369    HG1  THR  75           HG1      THR  75  17.194   0.439   4.892
  370   HG21  THR  75          HG21      THR  75  15.573   1.384   7.208
  371   HG22  THR  75          HG22      THR  75  14.664  -0.126   7.163
  372   HG23  THR  75          HG23      THR  75  13.886   1.385   6.693
  373    H    HIS  76           HN       HIS  76  13.783   1.603   2.659
  374    HA   HIS  76           HA       HIS  76  11.720   3.023   4.063
  375    HB2  HIS  76           HB2      HIS  76  12.914   3.354   1.310
  376    HB3  HIS  76           HB3      HIS  76  11.620   4.379   1.920
  377    HD1  HIS  76           HD1      HIS  76  14.599   5.305   1.192
  378    HD2  HIS  76           HD2      HIS  76  13.054   4.619   4.995
  379    HE1  HIS  76           HE1      HIS  76  16.031   6.642   2.757
  380    HE2  HIS  76           HE2      HIS  76  14.933   6.396   5.016
  381    H    VAL  77           HN       VAL  77  11.883   0.773   1.378
  382    HA   VAL  77           HA       VAL  77   9.187   0.867   0.631
  383    HB   VAL  77           HB       VAL  77  11.248  -1.335   0.412
  384   HG11  VAL  77          HG11      VAL  77   9.712  -2.466  -1.108
  385   HG12  VAL  77          HG12      VAL  77   9.015  -2.317   0.506
  386   HG13  VAL  77          HG13      VAL  77   8.484  -1.241  -0.787
  387   HG21  VAL  77          HG21      VAL  77  11.288  -0.712  -1.967
  388   HG22  VAL  77          HG22      VAL  77  10.082   0.543  -1.663
  389   HG23  VAL  77          HG23      VAL  77  11.687   0.672  -0.946
  390    H    ARG  78           HN       ARG  78  10.966  -1.299   2.839
  391    HA   ARG  78           HA       ARG  78   8.767  -2.778   3.735
  392    HB2  ARG  78           HB2      ARG  78  11.407  -2.117   4.986
  393    HB3  ARG  78           HB3      ARG  78  10.213  -3.092   5.831
  394    HG2  ARG  78           HG2      ARG  78  10.245  -4.730   4.011
  395    HG3  ARG  78           HG3      ARG  78  11.442  -3.751   3.153
  396    HD2  ARG  78           HD2      ARG  78  11.791  -5.003   5.876
  397    HD3  ARG  78           HD3      ARG  78  12.503  -5.590   4.370
  398    HE   ARG  78           HE       ARG  78  13.493  -3.166   4.375
  399   HH11  ARG  78          HH12      ARG  78  13.180  -5.373   7.082
  400   HH12  ARG  78          HH11      ARG  78  14.497  -4.672   7.975
  401   HH21  ARG  78          HH22      ARG  78  15.244  -2.248   5.543
  402   HH22  ARG  78          HH21      ARG  78  15.648  -2.867   7.116
  403    H    ASP  79           HN       ASP  79  10.080   0.280   4.879
  404    HA   ASP  79           HA       ASP  79   8.645   0.706   7.204
  405    HB2  ASP  79           HB2      ASP  79   9.640   2.486   5.016
  406    HB3  ASP  79           HB3      ASP  79   8.607   3.179   6.262
  407    H    TRP  80           HN       TRP  80   7.760   1.557   3.897
  408    HA   TRP  80           HA       TRP  80   5.154   2.476   4.597
  409    HB2  TRP  80           HB2      TRP  80   6.022   3.561   2.765
  410    HB3  TRP  80           HB3      TRP  80   6.844   2.122   2.173
  411    HD1  TRP  80           HD1      TRP  80   3.482   3.930   1.995
  412    HE1  TRP  80           HE1      TRP  80   2.189   2.931   0.001
  413    HE3  TRP  80           HE3      TRP  80   6.557   0.020   0.897
  414    HZ2  TRP  80           HZ2      TRP  80   2.438   0.761  -1.788
  415    HZ3  TRP  80           HZ3      TRP  80   5.965  -1.480  -0.952
  416    HH2  TRP  80           HH2      TRP  80   3.942  -1.119  -2.263
  417    H    VAL  81           HN       VAL  81   6.635  -0.466   3.594
  418    HA   VAL  81           HA       VAL  81   4.410  -1.857   2.570
  419    HB   VAL  81           HB       VAL  81   7.148  -2.552   3.506
  420   HG11  VAL  81          HG11      VAL  81   5.868  -4.279   4.628
  421   HG12  VAL  81          HG12      VAL  81   5.045  -4.670   3.118
  422   HG13  VAL  81          HG13      VAL  81   6.781  -4.950   3.276
  423   HG21  VAL  81          HG21      VAL  81   7.246  -3.657   1.317
  424   HG22  VAL  81          HG22      VAL  81   5.560  -3.221   1.040
  425   HG23  VAL  81          HG23      VAL  81   6.782  -1.959   1.198
  426    H    MET  82           HN       MET  82   6.046  -2.102   5.703
  427    HA   MET  82           HA       MET  82   3.927  -3.630   6.814
  428    HB2  MET  82           HB2      MET  82   5.087  -3.471   8.915
  429    HB3  MET  82           HB3      MET  82   6.212  -3.832   7.617
  430    HG2  MET  82           HG2      MET  82   6.904  -1.486   7.573
  431    HG3  MET  82           HG3      MET  82   5.807  -1.157   8.920
  432    HE1  MET  82           HE1      MET  82   6.235  -4.100  10.371
  433    HE2  MET  82           HE2      MET  82   7.372  -3.624  11.635
  434    HE3  MET  82           HE3      MET  82   5.994  -2.591  11.252
  435    H    TRP  83           HN       TRP  83   4.218  -0.223   6.324
  436    HA   TRP  83           HA       TRP  83   2.679   0.518   8.617
  437    HB2  TRP  83           HB2      TRP  83   4.013   2.230   7.518
  438    HB3  TRP  83           HB3      TRP  83   3.123   2.016   6.011
  439    HD1  TRP  83           HD1      TRP  83   2.750   3.517   9.517
  440    HE1  TRP  83           HE1      TRP  83   0.750   5.129   9.498
  441    HE3  TRP  83           HE3      TRP  83   0.955   2.532   4.834
  442    HZ2  TRP  83           HZ2      TRP  83  -1.316   5.889   7.721
  443    HZ3  TRP  83           HZ3      TRP  83  -1.028   3.749   4.050
  444    HH2  TRP  83           HH2      TRP  83  -2.136   5.390   5.464
  445    H    ALA  84           HN       ALA  84   1.674   0.366   5.154
  446    HA   ALA  84           HA       ALA  84  -1.055   0.751   5.719
  447    HB1  ALA  84           HB1      ALA  84  -0.150   0.909   3.442
  448    HB2  ALA  84           HB2      ALA  84   0.137  -0.832   3.434
  449    HB3  ALA  84           HB3      ALA  84  -1.514  -0.212   3.518
  450    H    VAL  85           HN       VAL  85   0.964  -2.065   5.575
  451    HA   VAL  85           HA       VAL  85  -0.844  -4.085   6.119
  452    HB   VAL  85           HB       VAL  85   2.076  -3.643   6.532
  453   HG11  VAL  85          HG11      VAL  85   1.517  -4.765   8.608
  454   HG12  VAL  85          HG12      VAL  85   0.631  -6.006   7.723
  455   HG13  VAL  85          HG13      VAL  85   2.377  -5.865   7.532
  456   HG21  VAL  85          HG21      VAL  85   0.453  -5.758   5.140
  457   HG22  VAL  85          HG22      VAL  85   1.252  -4.376   4.391
  458   HG23  VAL  85          HG23      VAL  85   2.213  -5.654   5.135
  459    H    ASN  86           HN       ASN  86   1.079  -2.222   8.550
  460    HA   ASN  86           HA       ASN  86  -0.100  -3.663  10.660
  461    HB2  ASN  86           HB2      ASN  86   1.296  -2.599  12.077
  462    HB3  ASN  86           HB3      ASN  86   2.131  -2.312  10.564
  463   HD21  ASN  86          HD21      ASN  86   0.387  -0.227   9.633
  464   HD22  ASN  86          HD22      ASN  86   0.683   1.157  10.650
  465    H    GLU  87           HN       GLU  87  -1.260  -1.017   8.899
  466    HA   GLU  87           HA       GLU  87  -2.933   0.084  10.985
  467    HB2  GLU  87           HB2      GLU  87  -2.234   1.599   9.235
  468    HB3  GLU  87           HB3      GLU  87  -2.826   0.515   7.987
  469    HG2  GLU  87           HG2      GLU  87  -4.355   2.323   8.170
  470    HG3  GLU  87           HG3      GLU  87  -5.133   0.892   8.840
  471    H    PHE  88           HN       PHE  88  -3.129  -2.066   8.270
  472    HA   PHE  88           HA       PHE  88  -5.917  -2.705   8.685
  473    HB2  PHE  88           HB2      PHE  88  -3.761  -3.379   6.750
  474    HB3  PHE  88           HB3      PHE  88  -5.099  -4.525   6.921
  475    HD1  PHE  88           HD1      PHE  88  -7.395  -3.856   6.397
  476    HD2  PHE  88           HD2      PHE  88  -4.095  -1.266   5.692
  477    HE1  PHE  88           HE1      PHE  88  -8.799  -2.480   4.920
  478    HE2  PHE  88           HE2      PHE  88  -5.493   0.112   4.212
  479    HZ   PHE  88           HZ       PHE  88  -7.847  -0.493   3.830
  480    H    SER  89           HN       SER  89  -3.267  -3.465  10.354
  481    HA   SER  89           HA       SER  89  -2.452  -5.176  11.577
  482    HB2  SER  89           HB2      SER  89  -5.345  -6.052  11.478
  483    HB3  SER  89           HB3      SER  89  -4.129  -6.744  12.555
  484    HG   SER  89           HG       SER  89  -5.354  -4.220  12.605
  485    H    LEU  90           HN       LEU  90  -1.953  -5.405   8.895
  486    HA   LEU  90           HA       LEU  90  -2.460  -8.171   8.103
  487    HB2  LEU  90           HB2      LEU  90  -0.664  -6.241   6.658
  488    HB3  LEU  90           HB3      LEU  90  -1.570  -7.591   5.997
  489    HG   LEU  90           HG       LEU  90  -2.778  -5.001   6.997
  490   HD11  LEU  90          HD11      LEU  90  -3.134  -4.528   4.636
  491   HD12  LEU  90          HD12      LEU  90  -1.415  -4.731   4.990
  492   HD13  LEU  90          HD13      LEU  90  -2.309  -6.026   4.197
  493   HD21  LEU  90          HD21      LEU  90  -4.818  -5.868   5.903
  494   HD22  LEU  90          HD22      LEU  90  -3.980  -7.377   5.538
  495   HD23  LEU  90          HD23      LEU  90  -4.286  -6.923   7.215
  496    H    LYS  91           HN       LYS  91  -0.685  -7.011  10.336
  497    HA   LYS  91           HA       LYS  91   1.956  -7.580  10.064
  498    HB2  LYS  91           HB2      LYS  91   1.870  -8.176  12.508
  499    HB3  LYS  91           HB3      LYS  91   1.134  -6.639  12.076
  500    HG2  LYS  91           HG2      LYS  91  -1.086  -7.763  12.092
  501    HG3  LYS  91           HG3      LYS  91  -0.290  -9.221  12.681
  502    HD2  LYS  91           HD2      LYS  91   0.428  -8.064  14.680
  503    HD3  LYS  91           HD3      LYS  91  -0.241  -6.547  14.071
  504    HE2  LYS  91           HE2      LYS  91  -1.736  -7.579  15.706
  505    HE3  LYS  91           HE3      LYS  91  -2.483  -7.505  14.112
  506    HZ1  LYS  91           HZ1      LYS  91  -1.247  -9.897  15.374
  507    HZ2  LYS  91           HZ2      LYS  91  -1.859  -9.848  13.791
  508    HZ3  LYS  91           HZ3      LYS  91  -2.901  -9.632  15.107
  509    H    GLY  92           HN       GLY  92   0.976  -9.556   8.409
  510    HA2  GLY  92           HA1      GLY  92   2.480 -11.777   9.548
  511    HA3  GLY  92           HA2      GLY  92   0.918 -12.098   8.785
  512    H    VAL  93           HN       VAL  93   3.012  -9.528   7.824
  513    HA   VAL  93           HA       VAL  93   3.068 -10.404   5.084
  514    HB   VAL  93           HB       VAL  93   3.394  -7.919   6.488
  515   HG11  VAL  93          HG11      VAL  93   5.235  -6.939   5.212
  516   HG12  VAL  93          HG12      VAL  93   5.799  -8.223   6.280
  517   HG13  VAL  93          HG13      VAL  93   5.623  -8.527   4.551
  518   HG21  VAL  93          HG21      VAL  93   1.923  -8.386   4.579
  519   HG22  VAL  93          HG22      VAL  93   2.961  -6.982   4.319
  520   HG23  VAL  93          HG23      VAL  93   3.351  -8.519   3.545
  521    H    ASP  94           HN       ASP  94   4.799 -11.275   4.009
  522    HA   ASP  94           HA       ASP  94   7.015 -12.188   5.626
  523    HB2  ASP  94           HB2      ASP  94   5.931 -13.516   3.713
  524    HB3  ASP  94           HB3      ASP  94   6.748 -12.401   2.623
  525    H    PHE  95           HN       PHE  95   8.195 -10.427   6.229
  526    HA   PHE  95           HA       PHE  95   8.483  -8.105   4.692
  527    HB2  PHE  95           HB2      PHE  95  10.282  -9.103   6.916
  528    HB3  PHE  95           HB3      PHE  95  10.226  -7.455   6.305
  529    HD1  PHE  95           HD1      PHE  95   8.210  -6.062   6.698
  530    HD2  PHE  95           HD2      PHE  95   8.691  -9.898   8.476
  531    HE1  PHE  95           HE1      PHE  95   6.451  -5.522   8.331
  532    HE2  PHE  95           HE2      PHE  95   6.928  -9.365  10.111
  533    HZ   PHE  95           HZ       PHE  95   5.810  -7.172  10.040
  534    H    GLN  96           HN       GLN  96  10.115 -11.103   4.570
  535    HA   GLN  96           HA       GLN  96  12.423 -10.047   3.170
  536    HB2  GLN  96           HB2      GLN  96  11.603 -12.811   3.998
  537    HB3  GLN  96           HB3      GLN  96  12.973 -12.532   2.933
  538    HG2  GLN  96           HG2      GLN  96  12.642 -11.478   5.736
  539    HG3  GLN  96           HG3      GLN  96  13.727 -12.769   5.220
  540   HE21  GLN  96          HE21      GLN  96  13.134  -9.347   5.226
  541   HE22  GLN  96          HE22      GLN  96  14.700  -8.868   4.671
  542    H    LYS  97           HN       LYS  97   9.362 -11.553   2.391
  543    HA   LYS  97           HA       LYS  97  10.060 -11.935  -0.368
  544    HB2  LYS  97           HB2      LYS  97   7.995 -12.858   1.127
  545    HB3  LYS  97           HB3      LYS  97   7.216 -11.463   0.387
  546    HG2  LYS  97           HG2      LYS  97   8.592 -13.655  -1.157
  547    HG3  LYS  97           HG3      LYS  97   6.861 -13.591  -0.832
  548    HD2  LYS  97           HD2      LYS  97   6.687 -11.498  -2.059
  549    HD3  LYS  97           HD3      LYS  97   8.431 -11.495  -2.330
  550    HE2  LYS  97           HE2      LYS  97   6.517 -13.603  -3.324
  551    HE3  LYS  97           HE3      LYS  97   7.164 -12.280  -4.293
  552    HZ1  LYS  97           HZ1      LYS  97   8.403 -14.310  -4.659
  553    HZ2  LYS  97           HZ2      LYS  97   8.757 -14.435  -3.005
  554    HZ3  LYS  97           HZ3      LYS  97   9.393 -13.152  -3.914
  555    H    PHE  98           HN       PHE  98   9.044  -9.452   1.727
  556    HA   PHE  98           HA       PHE  98   8.337  -7.564  -0.344
  557    HB2  PHE  98           HB2      PHE  98   8.287  -7.622   2.632
  558    HB3  PHE  98           HB3      PHE  98   8.366  -6.049   1.835
  559    HD1  PHE  98           HD1      PHE  98   6.529  -5.317   0.352
  560    HD2  PHE  98           HD2      PHE  98   6.369  -8.961   2.544
  561    HE1  PHE  98           HE1      PHE  98   4.102  -5.420   0.015
  562    HE2  PHE  98           HE2      PHE  98   3.951  -9.079   2.185
  563    HZ   PHE  98           HZ       PHE  98   2.827  -7.236   0.800
  564    H    CYS  99           HN       CYS  99  11.045  -8.756  -0.142
  565    HA   CYS  99           HA       CYS  99  12.840  -6.700   0.727
  566    HB2  CYS  99           HB2      CYS  99  13.224  -9.255   0.534
  567    HB3  CYS  99           HB3      CYS  99  13.481  -8.933  -1.179
  568    HG   CYS  99           HG       CYS  99  15.560  -6.963  -0.425
  569    H    MET 100           HN       MET 100  11.740  -4.979  -0.580
  570    HA   MET 100           HA       MET 100  12.894  -4.958  -3.279
  571    HB2  MET 100           HB2      MET 100  10.354  -3.697  -2.272
  572    HB3  MET 100           HB3      MET 100  11.143  -3.131  -3.737
  573    HG2  MET 100           HG2      MET 100   9.560  -4.573  -4.550
  574    HG3  MET 100           HG3      MET 100  11.003  -5.594  -4.477
  575    HE1  MET 100           HE1      MET 100   8.767  -4.405  -1.460
  576    HE2  MET 100           HE2      MET 100   7.601  -4.678  -2.755
  577    HE3  MET 100           HE3      MET 100   7.617  -5.738  -1.344
  578    H    SER 101           HN       SER 101  14.465  -3.572  -3.583
  579    HA   SER 101           HA       SER 101  14.657  -1.118  -2.095
  580    HB2  SER 101           HB2      SER 101  15.825  -1.857  -4.806
  581    HB3  SER 101           HB3      SER 101  16.282  -0.457  -3.836
  582    HG   SER 101           HG       SER 101  16.708  -3.208  -3.260
  583    H    GLY 102           HN       GLY 102  13.934   0.981  -3.051
  584    HA2  GLY 102           HA1      GLY 102  11.291   0.806  -3.775
  585    HA3  GLY 102           HA2      GLY 102  12.279   2.230  -4.007
  586    H    ALA 103           HN       ALA 103  14.054   1.135  -6.001
  587    HA   ALA 103           HA       ALA 103  12.517   1.517  -8.331
  588    HB1  ALA 103           HB1      ALA 103  14.924   1.923  -8.271
  589    HB2  ALA 103           HB2      ALA 103  15.217   0.199  -8.036
  590    HB3  ALA 103           HB3      ALA 103  14.511   0.777  -9.545
  591    H    ALA 104           HN       ALA 104  13.558  -1.318  -6.585
  592    HA   ALA 104           HA       ALA 104  12.490  -3.245  -8.390
  593    HB1  ALA 104           HB1      ALA 104  14.255  -3.841  -6.824
  594    HB2  ALA 104           HB2      ALA 104  13.191  -3.470  -5.462
  595    HB3  ALA 104           HB3      ALA 104  12.818  -4.823  -6.533
  596    H    LEU 105           HN       LEU 105  11.314  -1.750  -5.318
  597    HA   LEU 105           HA       LEU 105   8.927  -2.853  -4.991
  598    HB2  LEU 105           HB2      LEU 105   9.794  -1.006  -3.625
  599    HB3  LEU 105           HB3      LEU 105   9.502   0.125  -4.943
  600    HG   LEU 105           HG       LEU 105   7.086  -0.485  -4.824
  601   HD11  LEU 105          HD11      LEU 105   7.121  -2.599  -3.778
  602   HD12  LEU 105          HD12      LEU 105   8.037  -1.976  -2.400
  603   HD13  LEU 105          HD13      LEU 105   6.359  -1.489  -2.634
  604   HD21  LEU 105          HD21      LEU 105   6.600   0.878  -2.908
  605   HD22  LEU 105          HD22      LEU 105   8.240   0.646  -2.294
  606   HD23  LEU 105          HD23      LEU 105   7.977   1.538  -3.793
  607    H    CYS 106           HN       CYS 106   9.530  -0.196  -7.161
  608    HA   CYS 106           HA       CYS 106   7.057  -0.238  -8.441
  609    HB2  CYS 106           HB2      CYS 106   8.524   1.654  -8.542
  610    HB3  CYS 106           HB3      CYS 106   9.755   0.697  -9.365
  611    HG   CYS 106           HG       CYS 106   7.311   0.334 -11.329
  612    H    ALA 107           HN       ALA 107  10.173  -1.671  -9.446
  613    HA   ALA 107           HA       ALA 107   9.510  -2.579 -11.916
  614    HB1  ALA 107           HB1      ALA 107  11.320  -3.965  -9.952
  615    HB2  ALA 107           HB2      ALA 107  11.337  -4.159 -11.705
  616    HB3  ALA 107           HB3      ALA 107  11.761  -2.605 -10.984
  617    H    LEU 108           HN       LEU 108   8.615  -4.170  -8.863
  618    HA   LEU 108           HA       LEU 108   8.058  -6.679  -9.941
  619    HB2  LEU 108           HB2      LEU 108   6.352  -6.832  -7.990
  620    HB3  LEU 108           HB3      LEU 108   8.064  -6.742  -7.648
  621    HG   LEU 108           HG       LEU 108   7.732  -4.264  -7.230
  622   HD11  LEU 108          HD11      LEU 108   5.438  -3.573  -6.577
  623   HD12  LEU 108          HD12      LEU 108   5.611  -3.866  -8.307
  624   HD13  LEU 108          HD13      LEU 108   4.817  -5.070  -7.288
  625   HD21  LEU 108          HD21      LEU 108   6.895  -4.665  -4.968
  626   HD22  LEU 108          HD22      LEU 108   6.347  -6.267  -5.462
  627   HD23  LEU 108          HD23      LEU 108   8.070  -5.884  -5.466
  628    H    GLY 109           HN       GLY 109   6.042  -3.795  -9.854
  629    HA2  GLY 109           HA1      GLY 109   4.214  -3.278 -11.158
  630    HA3  GLY 109           HA2      GLY 109   4.406  -4.827 -11.969
  631    H    LYS 110           HN       LYS 110   1.930  -3.965 -11.447
  632    HA   LYS 110           HA       LYS 110   0.614  -4.545  -9.140
  633    HB2  LYS 110           HB2      LYS 110  -0.254  -3.967 -11.584
  634    HB3  LYS 110           HB3      LYS 110  -0.506  -5.700 -11.670
  635    HG2  LYS 110           HG2      LYS 110  -1.818  -3.724  -9.833
  636    HG3  LYS 110           HG3      LYS 110  -2.566  -4.746 -11.057
  637    HD2  LYS 110           HD2      LYS 110  -1.209  -5.778  -8.581
  638    HD3  LYS 110           HD3      LYS 110  -2.937  -5.476  -8.701
  639    HE2  LYS 110           HE2      LYS 110  -1.421  -7.395 -10.472
  640    HE3  LYS 110           HE3      LYS 110  -2.256  -7.876  -8.992
  641    HZ1  LYS 110           HZ1      LYS 110  -4.309  -6.879 -10.039
  642    HZ2  LYS 110           HZ2      LYS 110  -3.731  -8.300 -10.753
  643    HZ3  LYS 110           HZ3      LYS 110  -3.448  -6.803 -11.499
  644    H    GLU 111           HN       GLU 111   1.174  -6.933 -11.714
  645    HA   GLU 111           HA       GLU 111   0.053  -9.135 -10.561
  646    HB2  GLU 111           HB2      GLU 111   2.570  -9.096 -12.239
  647    HB3  GLU 111           HB3      GLU 111   1.543 -10.497 -11.970
  648    HG2  GLU 111           HG2      GLU 111   0.766  -7.964 -13.391
  649    HG3  GLU 111           HG3      GLU 111   1.108  -9.526 -14.135
  650    H    CYS 112           HN       CYS 112   3.498  -8.371 -10.404
  651    HA   CYS 112           HA       CYS 112   4.152 -10.563  -8.810
  652    HB2  CYS 112           HB2      CYS 112   5.818  -9.360 -10.158
  653    HB3  CYS 112           HB3      CYS 112   5.687  -7.978  -9.076
  654    HG   CYS 112           HG       CYS 112   6.383 -10.719  -7.354
  655    H    PHE 113           HN       PHE 113   3.635  -7.138  -7.857
  656    HA   PHE 113           HA       PHE 113   4.180  -7.432  -5.189
  657    HB2  PHE 113           HB2      PHE 113   3.488  -5.308  -6.546
  658    HB3  PHE 113           HB3      PHE 113   1.868  -5.702  -5.981
  659    HD1  PHE 113           HD2      PHE 113   1.620  -6.122  -3.389
  660    HD2  PHE 113           HD1      PHE 113   4.879  -4.062  -5.222
  661    HE1  PHE 113           HE2      PHE 113   2.093  -4.957  -1.283
  662    HE2  PHE 113           HE1      PHE 113   5.338  -2.906  -3.115
  663    HZ   PHE 113           HZ       PHE 113   4.045  -3.653  -1.020
  664    H    LEU 114           HN       LEU 114   1.007  -8.026  -6.736
  665    HA   LEU 114           HA       LEU 114  -0.125  -8.649  -4.155
  666    HB2  LEU 114           HB2      LEU 114  -1.463  -9.406  -6.713
  667    HB3  LEU 114           HB3      LEU 114  -2.173  -8.958  -5.172
  668    HG   LEU 114           HG       LEU 114  -1.104  -7.221  -7.337
  669   HD11  LEU 114          HD11      LEU 114  -3.537  -7.188  -5.569
  670   HD12  LEU 114          HD12      LEU 114  -3.163  -5.970  -6.789
  671   HD13  LEU 114          HD13      LEU 114  -3.464  -7.638  -7.274
  672   HD21  LEU 114          HD21      LEU 114   0.135  -6.521  -5.351
  673   HD22  LEU 114          HD22      LEU 114  -1.032  -5.302  -5.873
  674   HD23  LEU 114          HD23      LEU 114  -1.387  -6.326  -4.482
  675    H    GLU 115           HN       GLU 115   1.414 -10.399  -6.697
  676    HA   GLU 115           HA       GLU 115   0.743 -12.963  -5.663
  677    HB2  GLU 115           HB2      GLU 115   3.015 -12.039  -7.426
  678    HB3  GLU 115           HB3      GLU 115   2.743 -13.722  -7.002
  679    HG2  GLU 115           HG2      GLU 115   0.722 -12.011  -8.428
  680    HG3  GLU 115           HG3      GLU 115   1.890 -13.046  -9.246
  681    H    LEU 116           HN       LEU 116   2.649 -10.428  -4.663
  682    HA   LEU 116           HA       LEU 116   4.815 -11.950  -3.467
  683    HB2  LEU 116           HB2      LEU 116   5.748 -10.128  -4.404
  684    HB3  LEU 116           HB3      LEU 116   4.275  -9.186  -4.303
  685    HG   LEU 116           HG       LEU 116   5.701  -9.608  -1.751
  686   HD11  LEU 116          HD11      LEU 116   7.339  -7.870  -2.251
  687   HD12  LEU 116          HD12      LEU 116   7.570  -9.275  -3.294
  688   HD13  LEU 116          HD13      LEU 116   6.781  -7.829  -3.925
  689   HD21  LEU 116          HD21      LEU 116   3.688  -8.245  -1.943
  690   HD22  LEU 116          HD22      LEU 116   5.083  -7.285  -1.445
  691   HD23  LEU 116          HD23      LEU 116   4.513  -7.213  -3.113
  692    H    ALA 117           HN       ALA 117   1.922 -10.300  -2.528
  693    HA   ALA 117           HA       ALA 117   2.352 -11.280   0.226
  694    HB1  ALA 117           HB1      ALA 117   1.075  -9.351   1.103
  695    HB2  ALA 117           HB2      ALA 117   2.557  -8.842   0.286
  696    HB3  ALA 117           HB3      ALA 117   1.001  -8.676  -0.529
  697    HA   PRO 118           HA       PRO 118  -1.941 -12.916   0.005
  698    HB2  PRO 118           HB2      PRO 118  -2.750 -10.652   1.778
  699    HB3  PRO 118           HB3      PRO 118  -3.177 -12.365   1.887
  700    HG2  PRO 118           HG2      PRO 118  -1.349 -11.308   3.521
  701    HG3  PRO 118           HG3      PRO 118  -1.153 -12.944   2.864
  702    HD2  PRO 118           HD2      PRO 118   0.256 -10.429   2.142
  703    HD3  PRO 118           HD3      PRO 118   0.831 -12.106   2.078
  704    H    ASP 119           HN       ASP 119  -3.494 -12.468  -1.494
  705    HA   ASP 119           HA       ASP 119  -3.038 -10.456  -3.320
  706    HB2  ASP 119           HB2      ASP 119  -4.988 -11.173  -4.474
  707    HB3  ASP 119           HB3      ASP 119  -4.267 -12.595  -3.731
  708    H    PHE 120           HN       PHE 120  -4.796 -10.081  -0.354
  709    HA   PHE 120           HA       PHE 120  -6.103  -7.686  -1.368
  710    HB2  PHE 120           HB2      PHE 120  -7.485  -9.064   0.102
  711    HB3  PHE 120           HB3      PHE 120  -6.263  -8.952   1.363
  712    HD1  PHE 120           HD1      PHE 120  -7.373  -6.153  -0.791
  713    HD2  PHE 120           HD2      PHE 120  -7.556  -7.980   3.051
  714    HE1  PHE 120           HE1      PHE 120  -8.472  -4.143   0.111
  715    HE2  PHE 120           HE2      PHE 120  -8.651  -5.976   3.959
  716    HZ   PHE 120           HZ       PHE 120  -9.110  -4.055   2.491
  717    H    VAL 121           HN       VAL 121  -3.564  -8.798   0.674
  718    HA   VAL 121           HA       VAL 121  -3.001  -6.284   1.893
  719    HB   VAL 121           HB       VAL 121  -1.425  -8.847   1.752
  720   HG11  VAL 121          HG11      VAL 121  -1.054  -6.424   3.515
  721   HG12  VAL 121          HG12      VAL 121  -0.213  -7.964   3.711
  722   HG13  VAL 121          HG13      VAL 121   0.054  -6.990   2.265
  723   HG21  VAL 121          HG21      VAL 121  -3.696  -8.927   2.741
  724   HG22  VAL 121          HG22      VAL 121  -2.404  -9.312   3.896
  725   HG23  VAL 121          HG23      VAL 121  -3.175  -7.723   3.923
  726    H    GLY 122           HN       GLY 122  -1.452  -8.262  -0.640
  727    HA2  GLY 122           HA1      GLY 122   0.561  -6.447  -1.323
  728    HA3  GLY 122           HA2      GLY 122  -0.182  -7.611  -2.417
  729    H    ASP 123           HN       ASP 123  -2.822  -6.681  -2.307
  730    HA   ASP 123           HA       ASP 123  -2.780  -4.624  -4.231
  731    HB2  ASP 123           HB2      ASP 123  -4.463  -6.369  -4.246
  732    HB3  ASP 123           HB3      ASP 123  -4.993  -5.925  -2.630
  733    H    ILE 124           HN       ILE 124  -3.812  -4.784  -0.840
  734    HA   ILE 124           HA       ILE 124  -4.407  -2.164  -0.300
  735    HB   ILE 124           HB       ILE 124  -3.199  -4.381   1.289
  736   HG12  ILE 124          HG12      ILE 124  -5.619  -2.647   1.798
  737   HG13  ILE 124          HG13      ILE 124  -5.655  -4.121   0.831
  738   HG21  ILE 124          HG21      ILE 124  -3.121  -2.985   3.315
  739   HG22  ILE 124          HG22      ILE 124  -1.966  -2.431   2.101
  740   HG23  ILE 124          HG23      ILE 124  -3.479  -1.556   2.341
  741   HD11  ILE 124          HD11      ILE 124  -5.053  -5.454   2.719
  742   HD12  ILE 124          HD12      ILE 124  -4.773  -4.012   3.703
  743   HD13  ILE 124          HD13      ILE 124  -6.404  -4.417   3.176
  744    H    LEU 125           HN       LEU 125  -1.204  -3.622   0.142
  745    HA   LEU 125           HA       LEU 125   0.150  -1.219   0.478
  746    HB2  LEU 125           HB2      LEU 125   0.841  -4.021  -0.128
  747    HB3  LEU 125           HB3      LEU 125   2.065  -2.815  -0.502
  748    HG   LEU 125           HG       LEU 125   0.721  -3.028   2.177
  749   HD11  LEU 125          HD11      LEU 125   2.754  -4.123   2.951
  750   HD12  LEU 125          HD12      LEU 125   1.957  -5.084   1.706
  751   HD13  LEU 125          HD13      LEU 125   3.388  -4.132   1.305
  752   HD21  LEU 125          HD21      LEU 125   2.633  -1.649   2.872
  753   HD22  LEU 125          HD22      LEU 125   3.185  -1.593   1.197
  754   HD23  LEU 125          HD23      LEU 125   1.646  -0.852   1.646
  755    H    TRP 126           HN       TRP 126  -0.630  -3.030  -2.434
  756    HA   TRP 126           HA       TRP 126   0.995  -1.564  -4.196
  757    HB2  TRP 126           HB2      TRP 126   0.152  -3.605  -5.042
  758    HB3  TRP 126           HB3      TRP 126  -1.511  -3.191  -4.613
  759    HD1  TRP 126           HD1      TRP 126  -2.923  -1.899  -6.347
  760    HE1  TRP 126           HE1      TRP 126  -2.425  -0.929  -8.707
  761    HE3  TRP 126           HE3      TRP 126   2.139  -2.591  -6.482
  762    HZ2  TRP 126           HZ2      TRP 126  -0.154  -0.501 -10.363
  763    HZ3  TRP 126           HZ3      TRP 126   3.397  -1.878  -8.468
  764    HH2  TRP 126           HH2      TRP 126   2.267  -0.856 -10.374
  765    H    GLU 127           HN       GLU 127  -2.373  -1.170  -3.174
  766    HA   GLU 127           HA       GLU 127  -3.059   0.997  -4.727
  767    HB2  GLU 127           HB2      GLU 127  -4.105  -0.274  -2.423
  768    HB3  GLU 127           HB3      GLU 127  -4.010   1.455  -2.074
  769    HG2  GLU 127           HG2      GLU 127  -6.158   0.893  -2.975
  770    HG3  GLU 127           HG3      GLU 127  -5.271   1.937  -4.077
  771    H    HIS 128           HN       HIS 128  -1.742   1.147  -1.398
  772    HA   HIS 128           HA       HIS 128  -1.249   3.922  -1.553
  773    HB2  HIS 128           HB2      HIS 128  -1.233   2.495   0.580
  774    HB3  HIS 128           HB3      HIS 128   0.426   2.077   0.153
  775    HD1  HIS 128           HD1      HIS 128   0.718   3.394   2.614
  776    HD2  HIS 128           HD2      HIS 128  -0.112   5.704  -0.748
  777    HE1  HIS 128           HE1      HIS 128   1.335   5.761   3.242
  778    HE2  HIS 128           HE2      HIS 128   0.869   7.135   1.178
  779    H    LEU 129           HN       LEU 129   0.752   1.159  -2.570
  780    HA   LEU 129           HA       LEU 129   3.102   2.491  -3.144
  781    HB2  LEU 129           HB2      LEU 129   2.901   0.094  -3.425
  782    HB3  LEU 129           HB3      LEU 129   1.686   0.299  -4.670
  783    HG   LEU 129           HG       LEU 129   3.250   0.893  -6.293
  784   HD11  LEU 129          HD11      LEU 129   5.242   1.423  -4.084
  785   HD12  LEU 129          HD12      LEU 129   5.503   1.663  -5.811
  786   HD13  LEU 129          HD13      LEU 129   4.333   2.665  -4.946
  787   HD21  LEU 129          HD21      LEU 129   3.497  -1.448  -5.506
  788   HD22  LEU 129          HD22      LEU 129   4.973  -0.776  -6.199
  789   HD23  LEU 129          HD23      LEU 129   4.806  -0.910  -4.449
  790    H    GLU 130           HN       GLU 130   0.248   2.053  -5.160
  791    HA   GLU 130           HA       GLU 130   1.064   3.759  -7.181
  792    HB2  GLU 130           HB2      GLU 130  -1.490   2.572  -6.293
  793    HB3  GLU 130           HB3      GLU 130  -1.624   4.015  -7.286
  794    HG2  GLU 130           HG2      GLU 130  -0.062   1.572  -8.073
  795    HG3  GLU 130           HG3      GLU 130  -1.736   1.872  -8.536
  796    H    ILE 131           HN       ILE 131  -0.939   4.325  -4.351
  797    HA   ILE 131           HA       ILE 131  -1.641   6.957  -4.753
  798    HB   ILE 131           HB       ILE 131  -1.282   5.247  -2.367
  799   HG12  ILE 131          HG12      ILE 131  -3.632   5.656  -2.023
  800   HG13  ILE 131          HG13      ILE 131  -3.628   6.982  -3.180
  801   HG21  ILE 131          HG21      ILE 131  -1.666   8.235  -2.252
  802   HG22  ILE 131          HG22      ILE 131  -2.049   7.146  -0.911
  803   HG23  ILE 131          HG23      ILE 131  -0.389   7.281  -1.497
  804   HD11  ILE 131          HD11      ILE 131  -3.132   5.314  -4.964
  805   HD12  ILE 131          HD12      ILE 131  -3.385   4.041  -3.755
  806   HD13  ILE 131          HD13      ILE 131  -4.708   5.131  -4.186
  807    H    LEU 132           HN       LEU 132   1.335   5.712  -3.236
  808    HA   LEU 132           HA       LEU 132   2.543   8.071  -2.415
  809    HB2  LEU 132           HB2      LEU 132   4.098   5.944  -3.860
  810    HB3  LEU 132           HB3      LEU 132   4.651   7.001  -2.579
  811    HG   LEU 132           HG       LEU 132   2.486   5.023  -2.047
  812   HD11  LEU 132          HD11      LEU 132   4.210   3.378  -1.450
  813   HD12  LEU 132          HD12      LEU 132   4.270   3.783  -3.167
  814   HD13  LEU 132          HD13      LEU 132   5.460   4.464  -2.057
  815   HD21  LEU 132          HD21      LEU 132   3.514   5.055   0.211
  816   HD22  LEU 132          HD22      LEU 132   4.714   6.213  -0.361
  817   HD23  LEU 132          HD23      LEU 132   3.009   6.665  -0.308
  818    H    GLN 133           HN       GLN 133   2.347   6.576  -5.512
  819    HA   GLN 133           HA       GLN 133   3.959   8.456  -6.913
  820    HB2  GLN 133           HB2      GLN 133   1.933   6.411  -7.845
  821    HB3  GLN 133           HB3      GLN 133   2.881   7.406  -8.942
  822    HG2  GLN 133           HG2      GLN 133   4.857   6.329  -8.428
  823    HG3  GLN 133           HG3      GLN 133   4.261   5.756  -6.872
  824   HE21  GLN 133          HE21      GLN 133   3.172   3.864  -6.749
  825   HE22  GLN 133          HE22      GLN 133   2.959   2.774  -8.080
  826    H    LYS 134           HN       LYS 134   0.390   7.941  -6.564
  827    HA   LYS 134           HA       LYS 134  -0.516   9.999  -8.143
  828    HB2  LYS 134           HB2      LYS 134  -1.573   8.710  -5.637
  829    HB3  LYS 134           HB3      LYS 134  -2.431  10.057  -6.379
  830    HG2  LYS 134           HG2      LYS 134  -3.468   8.173  -7.213
  831    HG3  LYS 134           HG3      LYS 134  -2.374   8.653  -8.511
  832    HD2  LYS 134           HD2      LYS 134  -1.057   6.838  -8.246
  833    HD3  LYS 134           HD3      LYS 134  -1.294   6.779  -6.489
  834    HE2  LYS 134           HE2      LYS 134  -2.415   4.901  -7.238
  835    HE3  LYS 134           HE3      LYS 134  -3.691   6.101  -7.062
  836    HZ1  LYS 134           HZ1      LYS 134  -3.448   6.527  -9.500
  837    HZ2  LYS 134           HZ2      LYS 134  -4.029   4.982  -9.113
  838    HZ3  LYS 134           HZ3      LYS 134  -2.409   5.184  -9.578
  839    H    GLU 135           HN       GLU 135   0.471  10.075  -4.771
  840    HA   GLU 135           HA       GLU 135  -0.373  12.551  -3.956
  841    HB2  GLU 135           HB2      GLU 135   2.221  11.145  -3.331
  842    HB3  GLU 135           HB3      GLU 135   1.605  12.522  -2.431
  843    HG2  GLU 135           HG2      GLU 135  -0.292  11.255  -1.680
  844    HG3  GLU 135           HG3      GLU 135   0.155   9.901  -2.717
  845    H    ASP 136           HN       ASP 136   2.449  11.802  -5.934
  846    HA   ASP 136           HA       ASP 136   3.047  14.684  -6.057
  847    HB2  ASP 136           HB2      ASP 136   4.781  13.366  -4.909
  848    HB3  ASP 136           HB3      ASP 136   4.958  12.360  -6.341
  849    H    VAL 137           HN       VAL 137   2.148  11.941  -7.849
  850    HA   VAL 137           HA       VAL 137   3.200  13.040 -10.353
  851    HB   VAL 137           HB       VAL 137   3.461  10.550  -9.581
  852   HG11  VAL 137          HG11      VAL 137   0.720  10.463 -10.836
  853   HG12  VAL 137          HG12      VAL 137   1.729   9.059 -10.487
  854   HG13  VAL 137          HG13      VAL 137   1.128  10.061  -9.165
  855   HG21  VAL 137          HG21      VAL 137   3.547   9.840 -11.927
  856   HG22  VAL 137          HG22      VAL 137   2.650  11.287 -12.390
  857   HG23  VAL 137          HG23      VAL 137   4.264  11.435 -11.696
  858    H    LYS 138           HN       LYS 138   1.934  13.719 -11.972
  859    HA   LYS 138           HA       LYS 138  -0.934  13.173 -11.894
  860    HB2  LYS 138           HB2      LYS 138   0.320  15.908 -12.143
  861    HB3  LYS 138           HB3      LYS 138  -1.282  15.568 -12.780
  862    HG2  LYS 138           HG2      LYS 138  -1.750  16.472 -10.713
  863    HG3  LYS 138           HG3      LYS 138  -1.798  14.743 -10.379
  864    HD2  LYS 138           HD2      LYS 138   0.584  14.909  -9.619
  865    HD3  LYS 138           HD3      LYS 138   0.450  16.661  -9.780
  866    HE2  LYS 138           HE2      LYS 138   0.084  16.021  -7.477
  867    HE3  LYS 138           HE3      LYS 138  -1.412  16.644  -8.169
  868    HZ1  LYS 138           HZ1      LYS 138  -2.244  14.429  -8.413
  869    HZ2  LYS 138           HZ2      LYS 138  -1.704  14.610  -6.816
  870    HZ3  LYS 138           HZ3      LYS 138  -0.766  13.752  -7.935
  Start of MODEL    4
    1    H1   MET  29           H1       MET  29 -19.688   7.229   8.768
    2    H2   MET  29           H2       MET  29 -20.498   6.245   9.874
    3    H3   MET  29           H3       MET  29 -19.032   6.971  10.307
    4    HA   MET  29           HA       MET  29 -20.779   8.162  11.352
    5    HB2  MET  29           HB2      MET  29 -20.344  10.385  10.560
    6    HB3  MET  29           HB3      MET  29 -18.866   9.454  10.381
    7    HG2  MET  29           HG2      MET  29 -20.795  10.204   8.195
    8    HG3  MET  29           HG3      MET  29 -19.195  10.886   8.469
    9    HE1  MET  29           HE1      MET  29 -18.691   8.896   5.145
   10    HE2  MET  29           HE2      MET  29 -20.105   9.822   5.645
   11    HE3  MET  29           HE3      MET  29 -18.487  10.448   5.958
   12    H    GLU  30           HN       GLU  30 -21.282   7.835   7.872
   13    HA   GLU  30           HA       GLU  30 -23.143   7.728   6.599
   14    HB2  GLU  30           HB2      GLU  30 -24.209   6.604   9.188
   15    HB3  GLU  30           HB3      GLU  30 -25.101   6.566   7.675
   16    HG2  GLU  30           HG2      GLU  30 -24.023   4.445   8.052
   17    HG3  GLU  30           HG3      GLU  30 -23.306   5.244   6.657
   18    H    CYS  31           HN       CYS  31 -22.994  10.208   6.809
   19    HA   CYS  31           HA       CYS  31 -25.726  11.061   7.431
   20    HB2  CYS  31           HB2      CYS  31 -23.226  12.666   8.014
   21    HB3  CYS  31           HB3      CYS  31 -24.874  13.268   8.171
   22    HG   CYS  31           HG       CYS  31 -25.422  11.084  10.074
   23    H    ALA  32           HN       ALA  32 -22.829  12.586   6.014
   24    HA   ALA  32           HA       ALA  32 -24.403  13.579   3.811
   25    HB1  ALA  32           HB1      ALA  32 -22.557  14.901   4.743
   26    HB2  ALA  32           HB2      ALA  32 -21.416  13.654   4.240
   27    HB3  ALA  32           HB3      ALA  32 -22.318  14.567   3.029
   28    H    ASP  33           HN       ASP  33 -22.044  11.052   4.390
   29    HA   ASP  33           HA       ASP  33 -22.640   9.967   1.721
   30    HB2  ASP  33           HB2      ASP  33 -20.321  10.726   1.820
   31    HB3  ASP  33           HB3      ASP  33 -20.051   9.778   3.277
   32    H    VAL  34           HN       VAL  34 -24.428   8.876   2.774
   33    HA   VAL  34           HA       VAL  34 -23.799   6.689   4.544
   34    HB   VAL  34           HB       VAL  34 -26.153   5.973   4.161
   35   HG11  VAL  34          HG11      VAL  34 -27.196   7.905   5.273
   36   HG12  VAL  34          HG12      VAL  34 -25.633   7.489   5.978
   37   HG13  VAL  34          HG13      VAL  34 -25.772   8.873   4.893
   38   HG21  VAL  34          HG21      VAL  34 -26.424   6.777   1.862
   39   HG22  VAL  34          HG22      VAL  34 -27.678   7.423   2.920
   40   HG23  VAL  34          HG23      VAL  34 -26.326   8.443   2.431
   41    HA   PRO  35           HA       PRO  35 -22.441   4.035   1.184
   42    HB2  PRO  35           HB2      PRO  35 -22.498   2.001   3.329
   43    HB3  PRO  35           HB3      PRO  35 -21.165   2.488   2.276
   44    HG2  PRO  35           HG2      PRO  35 -21.179   3.185   4.843
   45    HG3  PRO  35           HG3      PRO  35 -20.613   4.310   3.594
   46    HD2  PRO  35           HD2      PRO  35 -23.262   4.229   5.005
   47    HD3  PRO  35           HD3      PRO  35 -22.223   5.628   4.644
   48    H    LEU  36           HN       LEU  36 -23.794   3.200  -0.200
   49    HA   LEU  36           HA       LEU  36 -26.140   1.711   0.788
   50    HB2  LEU  36           HB2      LEU  36 -25.901   3.403  -1.702
   51    HB3  LEU  36           HB3      LEU  36 -27.304   2.445  -1.270
   52    HG   LEU  36           HG       LEU  36 -26.236   4.787   0.314
   53   HD11  LEU  36          HD11      LEU  36 -28.676   4.544  -1.437
   54   HD12  LEU  36          HD12      LEU  36 -28.264   5.932  -0.429
   55   HD13  LEU  36          HD13      LEU  36 -27.232   5.493  -1.788
   56   HD21  LEU  36          HD21      LEU  36 -28.739   3.143   0.695
   57   HD22  LEU  36          HD22      LEU  36 -27.309   3.100   1.728
   58   HD23  LEU  36          HD23      LEU  36 -28.281   4.568   1.626
   59    H    LEU  37           HN       LEU  37 -23.420   0.835   0.053
   60    HA   LEU  37           HA       LEU  37 -24.224  -1.239  -1.831
   61    HB2  LEU  37           HB2      LEU  37 -22.197  -1.132  -3.096
   62    HB3  LEU  37           HB3      LEU  37 -22.937   0.446  -3.105
   63    HG   LEU  37           HG       LEU  37 -20.632   0.824  -2.975
   64   HD11  LEU  37          HD11      LEU  37 -21.510   1.035  -0.114
   65   HD12  LEU  37          HD12      LEU  37 -20.255   1.967  -0.925
   66   HD13  LEU  37          HD13      LEU  37 -21.943   2.178  -1.387
   67   HD21  LEU  37          HD21      LEU  37 -19.890  -1.402  -2.411
   68   HD22  LEU  37          HD22      LEU  37 -19.130  -0.213  -1.353
   69   HD23  LEU  37          HD23      LEU  37 -20.465  -1.200  -0.756
   70    H    THR  38           HN       THR  38 -22.948  -3.203  -1.642
   71    HA   THR  38           HA       THR  38 -22.368  -3.681   1.160
   72    HB   THR  38           HB       THR  38 -22.111  -6.100   0.278
   73    HG1  THR  38           HG1      THR  38 -22.145  -5.047  -2.007
   74   HG21  THR  38          HG21      THR  38 -24.548  -6.405   0.279
   75   HG22  THR  38          HG22      THR  38 -24.760  -4.663   0.094
   76   HG23  THR  38          HG23      THR  38 -24.032  -5.310   1.563
   77    HA   PRO  39           HA       PRO  39 -17.960  -3.442   0.304
   78    HB2  PRO  39           HB2      PRO  39 -17.595  -3.335   3.154
   79    HB3  PRO  39           HB3      PRO  39 -17.447  -2.024   1.981
   80    HG2  PRO  39           HG2      PRO  39 -19.401  -2.161   3.914
   81    HG3  PRO  39           HG3      PRO  39 -19.542  -1.247   2.401
   82    HD2  PRO  39           HD2      PRO  39 -20.626  -3.952   3.090
   83    HD3  PRO  39           HD3      PRO  39 -21.387  -2.631   2.174
   84    H    SER  40           HN       SER  40 -16.715  -5.242   0.004
   85    HA   SER  40           HA       SER  40 -16.782  -7.241   2.155
   86    HB2  SER  40           HB2      SER  40 -16.920  -7.905  -0.789
   87    HB3  SER  40           HB3      SER  40 -16.790  -9.077   0.523
   88    HG   SER  40           HG       SER  40 -18.829  -7.279   0.860
   89    H    SER  41           HN       SER  41 -15.037  -6.790  -0.974
   90    HA   SER  41           HA       SER  41 -12.617  -7.601   0.437
   91    HB2  SER  41           HB2      SER  41 -13.017  -7.084  -2.514
   92    HB3  SER  41           HB3      SER  41 -11.575  -7.770  -1.766
   93    HG   SER  41           HG       SER  41 -12.782  -9.467  -2.512
   94    H    LYS  42           HN       LYS  42 -13.398  -5.013  -1.908
   95    HA   LYS  42           HA       LYS  42 -10.876  -3.768  -1.170
   96    HB2  LYS  42           HB2      LYS  42 -11.472  -4.185  -3.544
   97    HB3  LYS  42           HB3      LYS  42 -12.763  -3.001  -3.384
   98    HG2  LYS  42           HG2      LYS  42 -11.319  -1.225  -3.332
   99    HG3  LYS  42           HG3      LYS  42  -9.964  -2.175  -2.693
  100    HD2  LYS  42           HD2      LYS  42  -9.843  -3.341  -4.892
  101    HD3  LYS  42           HD3      LYS  42 -11.116  -2.281  -5.496
  102    HE2  LYS  42           HE2      LYS  42  -9.012  -1.426  -6.239
  103    HE3  LYS  42           HE3      LYS  42  -9.644  -0.341  -5.003
  104    HZ1  LYS  42           HZ1      LYS  42  -7.553  -2.421  -4.585
  105    HZ2  LYS  42           HZ2      LYS  42  -8.171  -1.386  -3.395
  106    HZ3  LYS  42           HZ3      LYS  42  -7.295  -0.750  -4.690
  107    H    GLU  43           HN       GLU  43 -14.233  -3.244  -0.559
  108    HA   GLU  43           HA       GLU  43 -14.250  -0.441  -0.445
  109    HB2  GLU  43           HB2      GLU  43 -15.845  -2.473   1.097
  110    HB3  GLU  43           HB3      GLU  43 -16.125  -0.742   1.207
  111    HG2  GLU  43           HG2      GLU  43 -17.697  -1.703  -0.278
  112    HG3  GLU  43           HG3      GLU  43 -16.588  -0.694  -1.204
  113    H    MET  44           HN       MET  44 -13.345  -2.870   1.920
  114    HA   MET  44           HA       MET  44 -13.021  -1.291   4.155
  115    HB2  MET  44           HB2      MET  44 -11.512  -3.724   3.214
  116    HB3  MET  44           HB3      MET  44 -11.191  -2.969   4.773
  117    HG2  MET  44           HG2      MET  44 -12.696  -4.840   5.038
  118    HG3  MET  44           HG3      MET  44 -13.528  -3.333   5.418
  119    HE1  MET  44           HE1      MET  44 -16.525  -5.246   3.920
  120    HE2  MET  44           HE2      MET  44 -15.297  -5.824   5.049
  121    HE3  MET  44           HE3      MET  44 -15.950  -4.194   5.215
  122    H    MET  45           HN       MET  45 -10.544  -2.011   1.672
  123    HA   MET  45           HA       MET  45  -8.727  -0.085   2.721
  124    HB2  MET  45           HB2      MET  45  -7.391  -0.454   0.789
  125    HB3  MET  45           HB3      MET  45  -8.063  -2.012   1.264
  126    HG2  MET  45           HG2      MET  45  -9.883  -1.535  -0.464
  127    HG3  MET  45           HG3      MET  45  -8.809  -0.262  -1.046
  128    HE1  MET  45           HE1      MET  45  -5.622  -2.353  -1.953
  129    HE2  MET  45           HE2      MET  45  -6.330  -0.738  -1.895
  130    HE3  MET  45           HE3      MET  45  -6.019  -1.615  -0.399
  131    H    SER  46           HN       SER  46 -11.236   0.039   0.253
  132    HA   SER  46           HA       SER  46 -10.681   2.494  -0.880
  133    HB2  SER  46           HB2      SER  46 -12.461   0.913  -1.606
  134    HB3  SER  46           HB3      SER  46 -13.425   1.397  -0.211
  135    HG   SER  46           HG       SER  46 -12.608   3.576  -1.572
  136    H    GLN  47           HN       GLN  47 -12.672   1.811   1.993
  137    HA   GLN  47           HA       GLN  47 -12.833   4.586   2.655
  138    HB2  GLN  47           HB2      GLN  47 -13.882   3.771   4.781
  139    HB3  GLN  47           HB3      GLN  47 -14.677   3.222   3.313
  140    HG2  GLN  47           HG2      GLN  47 -13.446   1.066   3.547
  141    HG3  GLN  47           HG3      GLN  47 -12.873   1.630   5.117
  142   HE21  GLN  47          HE21      GLN  47 -16.055   2.258   3.788
  143   HE22  GLN  47          HE22      GLN  47 -16.928   1.297   4.924
  144    H    ALA  48           HN       ALA  48 -11.048   1.825   4.105
  145    HA   ALA  48           HA       ALA  48  -9.876   3.469   6.114
  146    HB1  ALA  48           HB1      ALA  48  -8.566   1.530   6.728
  147    HB2  ALA  48           HB2      ALA  48 -10.246   1.068   6.445
  148    HB3  ALA  48           HB3      ALA  48  -9.017   0.724   5.227
  149    H    LEU  49           HN       LEU  49  -8.463   2.014   3.113
  150    HA   LEU  49           HA       LEU  49  -5.828   2.826   3.804
  151    HB2  LEU  49           HB2      LEU  49  -7.128   1.349   1.661
  152    HB3  LEU  49           HB3      LEU  49  -5.974   2.510   1.024
  153    HG   LEU  49           HG       LEU  49  -5.451   0.194   2.844
  154   HD11  LEU  49          HD11      LEU  49  -5.550  -0.214   0.458
  155   HD12  LEU  49          HD12      LEU  49  -4.363   1.058   0.181
  156   HD13  LEU  49          HD13      LEU  49  -3.899  -0.398   1.059
  157   HD21  LEU  49          HD21      LEU  49  -4.181   1.991   3.817
  158   HD22  LEU  49          HD22      LEU  49  -3.082   0.957   2.907
  159   HD23  LEU  49          HD23      LEU  49  -3.606   2.498   2.233
  160    H    LYS  50           HN       LYS  50  -8.140   3.906   1.362
  161    HA   LYS  50           HA       LYS  50  -6.475   5.817   0.238
  162    HB2  LYS  50           HB2      LYS  50  -9.495   5.924   0.272
  163    HB3  LYS  50           HB3      LYS  50  -8.413   6.597  -0.944
  164    HG2  LYS  50           HG2      LYS  50  -8.856   3.676  -0.352
  165    HG3  LYS  50           HG3      LYS  50  -9.415   4.564  -1.770
  166    HD2  LYS  50           HD2      LYS  50  -6.502   4.228  -1.026
  167    HD3  LYS  50           HD3      LYS  50  -7.352   3.180  -2.161
  168    HE2  LYS  50           HE2      LYS  50  -7.271   6.162  -2.517
  169    HE3  LYS  50           HE3      LYS  50  -5.968   5.125  -3.102
  170    HZ1  LYS  50           HZ1      LYS  50  -8.833   4.857  -3.861
  171    HZ2  LYS  50           HZ2      LYS  50  -7.537   3.937  -4.466
  172    HZ3  LYS  50           HZ3      LYS  50  -7.634   5.595  -4.808
  173    H    ALA  51           HN       ALA  51  -8.613   6.002   2.983
  174    HA   ALA  51           HA       ALA  51  -8.272   8.843   3.364
  175    HB1  ALA  51           HB1      ALA  51  -9.457   8.536   5.453
  176    HB2  ALA  51           HB2      ALA  51 -10.300   7.714   4.139
  177    HB3  ALA  51           HB3      ALA  51  -9.335   6.785   5.286
  178    H    THR  52           HN       THR  52  -6.766   5.895   4.585
  179    HA   THR  52           HA       THR  52  -5.560   7.154   6.846
  180    HB   THR  52           HB       THR  52  -6.206   4.697   6.637
  181    HG1  THR  52           HG1      THR  52  -4.103   5.865   7.907
  182   HG21  THR  52          HG21      THR  52  -3.524   4.530   5.256
  183   HG22  THR  52          HG22      THR  52  -5.083   4.297   4.465
  184   HG23  THR  52          HG23      THR  52  -4.554   3.172   5.719
  185    H    PHE  53           HN       PHE  53  -4.695   7.245   3.617
  186    HA   PHE  53           HA       PHE  53  -2.042   6.489   3.574
  187    HB2  PHE  53           HB2      PHE  53  -3.468   8.561   1.922
  188    HB3  PHE  53           HB3      PHE  53  -1.809   8.062   1.609
  189    HD1  PHE  53           HD2      PHE  53  -2.065   5.152   2.196
  190    HD2  PHE  53           HD1      PHE  53  -4.567   7.812   0.026
  191    HE1  PHE  53           HE2      PHE  53  -2.877   3.273   0.835
  192    HE2  PHE  53           HE1      PHE  53  -5.383   5.937  -1.329
  193    HZ   PHE  53           HZ       PHE  53  -4.541   3.662  -0.928
  194    H    SER  54           HN       SER  54  -3.411   9.450   4.748
  195    HA   SER  54           HA       SER  54  -1.156  11.099   4.593
  196    HB2  SER  54           HB2      SER  54  -2.391  12.285   6.554
  197    HB3  SER  54           HB3      SER  54  -3.176  12.210   4.975
  198    HG   SER  54           HG       SER  54  -4.265  11.476   7.146
  199    H    GLY  55           HN       GLY  55  -2.019   8.568   6.801
  200    HA2  GLY  55           HA1      GLY  55  -0.524   9.166   9.044
  201    HA3  GLY  55           HA2      GLY  55  -0.824   7.540   8.455
  202    H    PHE  56           HN       PHE  56   0.652   7.005   6.442
  203    HA   PHE  56           HA       PHE  56   3.312   7.086   7.499
  204    HB2  PHE  56           HB2      PHE  56   2.563   5.104   6.274
  205    HB3  PHE  56           HB3      PHE  56   2.363   6.067   4.810
  206    HD1  PHE  56           HD1      PHE  56   4.853   4.793   7.224
  207    HD2  PHE  56           HD2      PHE  56   4.187   6.544   3.404
  208    HE1  PHE  56           HE1      PHE  56   7.213   4.410   6.639
  209    HE2  PHE  56           HE2      PHE  56   6.541   6.166   2.813
  210    HZ   PHE  56           HZ       PHE  56   8.057   5.092   4.430
  211    H    THR  57           HN       THR  57   1.677   8.599   4.822
  212    HA   THR  57           HA       THR  57   3.911   9.677   3.491
  213    HB   THR  57           HB       THR  57   1.099  10.752   3.620
  214    HG1  THR  57           HG1      THR  57   2.168   9.232   1.495
  215   HG21  THR  57          HG21      THR  57   2.668  12.407   2.720
  216   HG22  THR  57          HG22      THR  57   1.611  11.790   1.450
  217   HG23  THR  57          HG23      THR  57   3.273  11.214   1.571
  218    H    LYS  58           HN       LYS  58   2.294  10.625   6.375
  219    HA   LYS  58           HA       LYS  58   3.223  13.360   6.414
  220    HB2  LYS  58           HB2      LYS  58   1.173  12.777   7.595
  221    HB3  LYS  58           HB3      LYS  58   2.043  11.612   8.584
  222    HG2  LYS  58           HG2      LYS  58   3.321  13.428   9.600
  223    HG3  LYS  58           HG3      LYS  58   2.447  14.597   8.605
  224    HD2  LYS  58           HD2      LYS  58   0.342  13.902   9.639
  225    HD3  LYS  58           HD3      LYS  58   1.215  12.731  10.631
  226    HE2  LYS  58           HE2      LYS  58   1.719  15.695  10.668
  227    HE3  LYS  58           HE3      LYS  58   0.647  14.863  11.792
  228    HZ1  LYS  58           HZ1      LYS  58   2.564  13.515  12.502
  229    HZ2  LYS  58           HZ2      LYS  58   2.793  15.167  12.795
  230    HZ3  LYS  58           HZ3      LYS  58   3.573  14.431  11.488
  231    H    GLU  59           HN       GLU  59   4.118  10.300   7.934
  232    HA   GLU  59           HA       GLU  59   6.322  11.546   9.341
  233    HB2  GLU  59           HB2      GLU  59   6.088   9.838  10.752
  234    HB3  GLU  59           HB3      GLU  59   4.749   9.257   9.771
  235    HG2  GLU  59           HG2      GLU  59   6.148   7.799   8.562
  236    HG3  GLU  59           HG3      GLU  59   7.614   8.543   9.230
  237    H    GLN  60           HN       GLN  60   5.725   9.796   6.452
  238    HA   GLN  60           HA       GLN  60   8.198   8.828   5.701
  239    HB2  GLN  60           HB2      GLN  60   6.085   8.556   4.444
  240    HB3  GLN  60           HB3      GLN  60   6.137  10.251   4.001
  241    HG2  GLN  60           HG2      GLN  60   8.157   9.860   2.718
  242    HG3  GLN  60           HG3      GLN  60   8.118   8.150   3.172
  243   HE21  GLN  60          HE21      GLN  60   7.884   7.486   1.037
  244   HE22  GLN  60          HE22      GLN  60   6.421   7.702   0.153
  245    H    GLN  61           HN       GLN  61   6.833  12.044   5.240
  246    HA   GLN  61           HA       GLN  61   9.062  13.306   4.081
  247    HB2  GLN  61           HB2      GLN  61   6.935  14.458   5.899
  248    HB3  GLN  61           HB3      GLN  61   8.008  15.398   4.863
  249    HG2  GLN  61           HG2      GLN  61   5.900  13.442   3.974
  250    HG3  GLN  61           HG3      GLN  61   5.849  15.197   3.824
  251   HE21  GLN  61          HE21      GLN  61   7.181  12.251   2.580
  252   HE22  GLN  61          HE22      GLN  61   7.870  12.925   1.146
  253    H    ARG  62           HN       ARG  62   8.150  12.704   7.405
  254    HA   ARG  62           HA       ARG  62  10.082  14.353   8.682
  255    HB2  ARG  62           HB2      ARG  62   8.056  13.719   9.813
  256    HB3  ARG  62           HB3      ARG  62   8.423  12.015   9.600
  257    HG2  ARG  62           HG2      ARG  62   8.795  12.656  11.877
  258    HG3  ARG  62           HG3      ARG  62  10.325  12.236  11.112
  259    HD2  ARG  62           HD2      ARG  62  10.877  14.582  10.851
  260    HD3  ARG  62           HD3      ARG  62   9.305  15.047  11.513
  261    HE   ARG  62           HE       ARG  62  10.361  13.485  13.448
  262   HH11  ARG  62          HH12      ARG  62  11.562  16.319  11.761
  263   HH12  ARG  62          HH11      ARG  62  12.530  16.851  13.098
  264   HH21  ARG  62          HH22      ARG  62  11.602  14.195  15.203
  265   HH22  ARG  62          HH21      ARG  62  12.559  15.641  15.064
  266    H    LEU  63           HN       LEU  63   9.884  10.922   7.949
  267    HA   LEU  63           HA       LEU  63  12.398  10.231   9.060
  268    HB2  LEU  63           HB2      LEU  63  10.665   8.781   7.088
  269    HB3  LEU  63           HB3      LEU  63  12.069   8.089   7.872
  270    HG   LEU  63           HG       LEU  63   9.587   9.034   9.310
  271   HD11  LEU  63          HD11      LEU  63   9.149   7.081   7.905
  272   HD12  LEU  63          HD12      LEU  63  10.508   6.241   8.650
  273   HD13  LEU  63          HD13      LEU  63   9.097   6.670   9.618
  274   HD21  LEU  63          HD21      LEU  63  11.625   9.165  10.659
  275   HD22  LEU  63          HD22      LEU  63  10.550   7.887  11.232
  276   HD23  LEU  63          HD23      LEU  63  11.979   7.478  10.283
  277    H    GLY  64           HN       GLY  64  11.821  12.162   6.593
  278    HA2  GLY  64           HA1      GLY  64  13.086  12.919   4.829
  279    HA3  GLY  64           HA2      GLY  64  14.410  11.948   5.466
  280    H    ILE  65           HN       ILE  65  11.424  10.397   4.818
  281    HA   ILE  65           HA       ILE  65  12.740   8.761   2.868
  282    HB   ILE  65           HB       ILE  65   9.941   8.564   3.980
  283   HG12  ILE  65          HG12      ILE  65  12.481   7.035   4.577
  284   HG13  ILE  65          HG13      ILE  65  11.614   8.101   5.674
  285   HG21  ILE  65          HG21      ILE  65  10.049   7.591   1.755
  286   HG22  ILE  65          HG22      ILE  65  11.464   6.644   2.212
  287   HG23  ILE  65          HG23      ILE  65   9.903   6.321   2.968
  288   HD11  ILE  65          HD11      ILE  65  11.222   5.766   6.212
  289   HD12  ILE  65          HD12      ILE  65   9.730   6.548   5.690
  290   HD13  ILE  65          HD13      ILE  65  10.600   5.483   4.584
  291    HA   PRO  66           HA       PRO  66  11.262  11.090  -0.716
  292    HB2  PRO  66           HB2      PRO  66  11.431   8.349  -1.839
  293    HB3  PRO  66           HB3      PRO  66  12.112   9.852  -2.458
  294    HG2  PRO  66           HG2      PRO  66  13.587   7.929  -1.239
  295    HG3  PRO  66           HG3      PRO  66  14.014   9.649  -1.203
  296    HD2  PRO  66           HD2      PRO  66  12.997   7.922   0.933
  297    HD3  PRO  66           HD3      PRO  66  13.835   9.479   1.045
  298    H    LYS  67           HN       LYS  67   9.144  11.328  -1.522
  299    HA   LYS  67           HA       LYS  67   7.202   9.633  -0.230
  300    HB2  LYS  67           HB2      LYS  67   5.522  11.171  -1.037
  301    HB3  LYS  67           HB3      LYS  67   6.853  12.047  -0.306
  302    HG2  LYS  67           HG2      LYS  67   6.477  13.342  -2.134
  303    HG3  LYS  67           HG3      LYS  67   7.667  12.222  -2.805
  304    HD2  LYS  67           HD2      LYS  67   6.012  10.965  -3.921
  305    HD3  LYS  67           HD3      LYS  67   4.709  11.699  -2.991
  306    HE2  LYS  67           HE2      LYS  67   4.710  12.581  -5.239
  307    HE3  LYS  67           HE3      LYS  67   5.155  13.849  -4.101
  308    HZ1  LYS  67           HZ1      LYS  67   7.377  13.763  -4.772
  309    HZ2  LYS  67           HZ2      LYS  67   6.492  13.676  -6.220
  310    HZ3  LYS  67           HZ3      LYS  67   7.189  12.271  -5.563
  311    H    ASP  68           HN       ASP  68   8.734   9.640  -3.250
  312    HA   ASP  68           HA       ASP  68   6.682   8.011  -4.564
  313    HB2  ASP  68           HB2      ASP  68   9.445   8.894  -5.441
  314    HB3  ASP  68           HB3      ASP  68   8.417   7.835  -6.395
  315    HA   PRO  69           HA       PRO  69   8.692   4.228  -3.395
  316    HB2  PRO  69           HB2      PRO  69   7.930   2.556  -5.336
  317    HB3  PRO  69           HB3      PRO  69   6.769   3.241  -4.194
  318    HG2  PRO  69           HG2      PRO  69   7.321   3.999  -7.024
  319    HG3  PRO  69           HG3      PRO  69   5.775   3.933  -6.159
  320    HD2  PRO  69           HD2      PRO  69   7.258   6.243  -6.626
  321    HD3  PRO  69           HD3      PRO  69   6.001   6.066  -5.387
  322    H    ARG  70           HN       ARG  70   9.251   5.217  -6.742
  323    HA   ARG  70           HA       ARG  70  10.928   3.098  -7.469
  324    HB2  ARG  70           HB2      ARG  70  11.484   4.474  -9.458
  325    HB3  ARG  70           HB3      ARG  70   9.760   4.313  -9.155
  326    HG2  ARG  70           HG2      ARG  70  11.116   6.685  -8.016
  327    HG3  ARG  70           HG3      ARG  70  10.905   6.631  -9.767
  328    HD2  ARG  70           HD2      ARG  70   8.655   6.158  -7.820
  329    HD3  ARG  70           HD3      ARG  70   9.052   7.756  -8.463
  330    HE   ARG  70           HE       ARG  70   8.614   5.675 -10.442
  331   HH11  ARG  70          HH12      ARG  70   7.195   8.333  -8.607
  332   HH12  ARG  70          HH11      ARG  70   5.892   8.553  -9.732
  333   HH21  ARG  70          HH22      ARG  70   6.879   6.002 -11.909
  334   HH22  ARG  70          HH21      ARG  70   5.717   7.261 -11.592
  335    H    GLN  71           HN       GLN  71  11.856   5.194  -5.211
  336    HA   GLN  71           HA       GLN  71  14.671   4.904  -5.968
  337    HB2  GLN  71           HB2      GLN  71  15.234   7.163  -5.534
  338    HB3  GLN  71           HB3      GLN  71  13.781   7.244  -6.523
  339    HG2  GLN  71           HG2      GLN  71  13.904   7.531  -3.533
  340    HG3  GLN  71           HG3      GLN  71  13.698   8.839  -4.696
  341   HE21  GLN  71          HE21      GLN  71  12.204   6.000  -3.265
  342   HE22  GLN  71          HE22      GLN  71  10.573   6.434  -3.656
  343    H    TRP  72           HN       TRP  72  12.578   3.885  -3.891
  344    HA   TRP  72           HA       TRP  72  13.605   4.722  -1.383
  345    HB2  TRP  72           HB2      TRP  72  11.664   2.681  -2.399
  346    HB3  TRP  72           HB3      TRP  72  12.264   2.512  -0.751
  347    HD1  TRP  72           HD1      TRP  72  12.187   6.032  -0.885
  348    HE1  TRP  72           HE1      TRP  72   9.915   7.010  -0.168
  349    HE3  TRP  72           HE3      TRP  72   9.338   1.829  -1.269
  350    HZ2  TRP  72           HZ2      TRP  72   7.259   6.100   0.195
  351    HZ3  TRP  72           HZ3      TRP  72   6.950   1.962  -0.721
  352    HH2  TRP  72           HH2      TRP  72   5.936   4.050  -0.007
  353    H    THR  73           HN       THR  73  14.783   3.473   0.136
  354    HA   THR  73           HA       THR  73  16.438   1.374  -0.933
  355    HB   THR  73           HB       THR  73  17.424   1.332   1.341
  356    HG1  THR  73           HG1      THR  73  16.603   2.577   2.952
  357   HG21  THR  73          HG21      THR  73  18.422   3.542   1.311
  358   HG22  THR  73          HG22      THR  73  17.112   4.155   0.302
  359   HG23  THR  73          HG23      THR  73  18.241   2.962  -0.346
  360    H    GLU  74           HN       GLU  74  16.603  -0.676   0.540
  361    HA   GLU  74           HA       GLU  74  14.196  -2.063   0.393
  362    HB2  GLU  74           HB2      GLU  74  15.266  -3.853   1.578
  363    HB3  GLU  74           HB3      GLU  74  16.452  -3.114   0.519
  364    HG2  GLU  74           HG2      GLU  74  16.219  -2.713   3.493
  365    HG3  GLU  74           HG3      GLU  74  17.426  -3.686   2.659
  366    H    THR  75           HN       THR  75  15.564  -0.195   3.027
  367    HA   THR  75           HA       THR  75  13.670  -1.078   4.974
  368    HB   THR  75           HB       THR  75  15.449   1.369   5.046
  369    HG1  THR  75           HG1      THR  75  16.690  -0.534   4.788
  370   HG21  THR  75          HG21      THR  75  15.221   1.171   7.475
  371   HG22  THR  75          HG22      THR  75  14.141  -0.209   7.271
  372   HG23  THR  75          HG23      THR  75  13.645   1.388   6.713
  373    H    HIS  76           HN       HIS  76  13.809   1.541   2.632
  374    HA   HIS  76           HA       HIS  76  11.817   3.149   3.947
  375    HB2  HIS  76           HB2      HIS  76  13.083   3.261   1.209
  376    HB3  HIS  76           HB3      HIS  76  11.745   4.316   1.647
  377    HD1  HIS  76           HD1      HIS  76  14.639   5.340   0.946
  378    HD2  HIS  76           HD2      HIS  76  13.074   4.826   4.766
  379    HE1  HIS  76           HE1      HIS  76  15.976   6.848   2.427
  380    HE2  HIS  76           HE2      HIS  76  15.061   6.487   4.757
  381    H    VAL  77           HN       VAL  77  11.906   0.827   1.305
  382    HA   VAL  77           HA       VAL  77   9.209   0.980   0.569
  383    HB   VAL  77           HB       VAL  77  11.212  -1.279   0.369
  384   HG11  VAL  77          HG11      VAL  77   8.457  -1.106  -0.844
  385   HG12  VAL  77          HG12      VAL  77   9.651  -2.360  -1.170
  386   HG13  VAL  77          HG13      VAL  77   8.956  -2.205   0.443
  387   HG21  VAL  77          HG21      VAL  77  11.702   0.728  -0.981
  388   HG22  VAL  77          HG22      VAL  77  11.309  -0.662  -1.996
  389   HG23  VAL  77          HG23      VAL  77  10.110   0.607  -1.727
  390    H    ARG  78           HN       ARG  78  10.956  -1.184   2.792
  391    HA   ARG  78           HA       ARG  78   8.752  -2.649   3.680
  392    HB2  ARG  78           HB2      ARG  78  11.415  -2.024   4.861
  393    HB3  ARG  78           HB3      ARG  78  10.212  -2.877   5.816
  394    HG2  ARG  78           HG2      ARG  78  10.053  -4.545   3.938
  395    HG3  ARG  78           HG3      ARG  78  11.471  -3.760   3.230
  396    HD2  ARG  78           HD2      ARG  78  12.113  -5.686   4.568
  397    HD3  ARG  78           HD3      ARG  78  12.723  -4.193   5.273
  398    HE   ARG  78           HE       ARG  78  10.262  -5.409   6.293
  399   HH11  ARG  78          HH12      ARG  78  13.542  -4.298   6.775
  400   HH12  ARG  78          HH11      ARG  78  13.501  -4.527   8.498
  401   HH21  ARG  78          HH22      ARG  78  10.203  -5.713   8.570
  402   HH22  ARG  78          HH21      ARG  78  11.606  -5.346   9.521
  403    H    ASP  79           HN       ASP  79  10.067   0.403   4.839
  404    HA   ASP  79           HA       ASP  79   8.628   0.766   7.177
  405    HB2  ASP  79           HB2      ASP  79   9.661   2.599   5.062
  406    HB3  ASP  79           HB3      ASP  79   8.585   3.269   6.283
  407    H    TRP  80           HN       TRP  80   7.733   1.654   3.867
  408    HA   TRP  80           HA       TRP  80   5.109   2.525   4.597
  409    HB2  TRP  80           HB2      TRP  80   5.933   3.633   2.752
  410    HB3  TRP  80           HB3      TRP  80   6.766   2.208   2.141
  411    HD1  TRP  80           HD1      TRP  80   3.380   3.964   2.030
  412    HE1  TRP  80           HE1      TRP  80   2.057   2.930   0.081
  413    HE3  TRP  80           HE3      TRP  80   6.470   0.074   0.888
  414    HZ2  TRP  80           HZ2      TRP  80   2.282   0.764  -1.709
  415    HZ3  TRP  80           HZ3      TRP  80   5.850  -1.441  -0.937
  416    HH2  TRP  80           HH2      TRP  80   3.793  -1.110  -2.202
  417    H    VAL  81           HN       VAL  81   6.640  -0.355   3.494
  418    HA   VAL  81           HA       VAL  81   4.450  -1.789   2.475
  419    HB   VAL  81           HB       VAL  81   7.219  -2.392   3.345
  420   HG11  VAL  81          HG11      VAL  81   6.970  -4.794   3.209
  421   HG12  VAL  81          HG12      VAL  81   6.014  -4.147   4.544
  422   HG13  VAL  81          HG13      VAL  81   5.220  -4.622   3.041
  423   HG21  VAL  81          HG21      VAL  81   7.283  -3.527   1.175
  424   HG22  VAL  81          HG22      VAL  81   5.565  -3.190   0.964
  425   HG23  VAL  81          HG23      VAL  81   6.723  -1.860   1.047
  426    H    MET  82           HN       MET  82   6.110  -2.131   5.600
  427    HA   MET  82           HA       MET  82   3.972  -3.650   6.676
  428    HB2  MET  82           HB2      MET  82   5.104  -3.532   8.788
  429    HB3  MET  82           HB3      MET  82   6.250  -3.861   7.498
  430    HG2  MET  82           HG2      MET  82   6.831  -1.431   7.504
  431    HG3  MET  82           HG3      MET  82   5.839  -1.269   8.957
  432    HE1  MET  82           HE1      MET  82   7.719  -3.828  11.336
  433    HE2  MET  82           HE2      MET  82   6.257  -2.864  11.116
  434    HE3  MET  82           HE3      MET  82   6.524  -4.304  10.131
  435    H    TRP  83           HN       TRP  83   4.233  -0.237   6.230
  436    HA   TRP  83           HA       TRP  83   2.722   0.473   8.548
  437    HB2  TRP  83           HB2      TRP  83   4.029   2.204   7.424
  438    HB3  TRP  83           HB3      TRP  83   3.108   1.991   5.939
  439    HD1  TRP  83           HD1      TRP  83   2.791   3.458   9.462
  440    HE1  TRP  83           HE1      TRP  83   0.799   5.081   9.481
  441    HE3  TRP  83           HE3      TRP  83   0.940   2.514   4.799
  442    HZ2  TRP  83           HZ2      TRP  83  -1.288   5.861   7.731
  443    HZ3  TRP  83           HZ3      TRP  83  -1.053   3.735   4.049
  444    HH2  TRP  83           HH2      TRP  83  -2.142   5.368   5.484
  445    H    ALA  84           HN       ALA  84   1.657   0.291   5.103
  446    HA   ALA  84           HA       ALA  84  -1.067   0.650   5.753
  447    HB1  ALA  84           HB1      ALA  84  -1.581  -0.279   3.552
  448    HB2  ALA  84           HB2      ALA  84  -0.241   0.865   3.452
  449    HB3  ALA  84           HB3      ALA  84   0.076  -0.871   3.401
  450    H    VAL  85           HN       VAL  85   0.997  -2.136   5.549
  451    HA   VAL  85           HA       VAL  85  -0.796  -4.173   6.109
  452    HB   VAL  85           HB       VAL  85   2.137  -3.766   6.537
  453   HG11  VAL  85          HG11      VAL  85   0.756  -6.307   7.384
  454   HG12  VAL  85          HG12      VAL  85   2.471  -5.926   7.494
  455   HG13  VAL  85          HG13      VAL  85   1.311  -5.076   8.515
  456   HG21  VAL  85          HG21      VAL  85   2.285  -5.631   4.977
  457   HG22  VAL  85          HG22      VAL  85   0.527  -5.771   4.977
  458   HG23  VAL  85          HG23      VAL  85   1.297  -4.320   4.335
  459    H    ASN  86           HN       ASN  86   1.152  -2.304   8.525
  460    HA   ASN  86           HA       ASN  86  -0.064  -3.797  10.595
  461    HB2  ASN  86           HB2      ASN  86   1.130  -2.446  12.203
  462    HB3  ASN  86           HB3      ASN  86   2.180  -3.027  10.929
  463   HD21  ASN  86          HD21      ASN  86   0.092  -0.390  10.242
  464   HD22  ASN  86          HD22      ASN  86   1.293   0.859  10.311
  465    H    GLU  87           HN       GLU  87  -1.086  -0.979   8.963
  466    HA   GLU  87           HA       GLU  87  -2.691   0.031  11.154
  467    HB2  GLU  87           HB2      GLU  87  -2.713   0.668   8.195
  468    HB3  GLU  87           HB3      GLU  87  -3.678   1.500   9.408
  469    HG2  GLU  87           HG2      GLU  87  -0.678   1.389   9.376
  470    HG3  GLU  87           HG3      GLU  87  -1.646   2.729   8.761
  471    H    PHE  88           HN       PHE  88  -3.005  -1.912   8.287
  472    HA   PHE  88           HA       PHE  88  -5.806  -2.448   8.599
  473    HB2  PHE  88           HB2      PHE  88  -3.616  -3.211   6.766
  474    HB3  PHE  88           HB3      PHE  88  -4.899  -4.410   6.968
  475    HD1  PHE  88           HD1      PHE  88  -7.243  -3.823   6.432
  476    HD2  PHE  88           HD2      PHE  88  -3.995  -1.221   5.549
  477    HE1  PHE  88           HE1      PHE  88  -8.659  -2.591   4.844
  478    HE2  PHE  88           HE2      PHE  88  -5.407   0.015   3.963
  479    HZ   PHE  88           HZ       PHE  88  -7.786  -0.652   3.665
  480    H    SER  89           HN       SER  89  -3.274  -3.321  10.422
  481    HA   SER  89           HA       SER  89  -2.696  -5.036  11.787
  482    HB2  SER  89           HB2      SER  89  -5.651  -5.685  11.607
  483    HB3  SER  89           HB3      SER  89  -4.544  -6.210  12.876
  484    HG   SER  89           HG       SER  89  -5.785  -3.779  12.507
  485    H    LEU  90           HN       LEU  90  -2.284  -5.529   9.034
  486    HA   LEU  90           HA       LEU  90  -3.234  -8.129   8.312
  487    HB2  LEU  90           HB2      LEU  90  -0.809  -6.664   7.243
  488    HB3  LEU  90           HB3      LEU  90  -1.741  -7.909   6.421
  489    HG   LEU  90           HG       LEU  90  -2.706  -5.117   7.112
  490   HD11  LEU  90          HD11      LEU  90  -1.095  -5.237   5.252
  491   HD12  LEU  90          HD12      LEU  90  -2.145  -6.391   4.434
  492   HD13  LEU  90          HD13      LEU  90  -2.706  -4.744   4.729
  493   HD21  LEU  90          HD21      LEU  90  -4.715  -5.733   5.848
  494   HD22  LEU  90          HD22      LEU  90  -4.098  -7.371   5.639
  495   HD23  LEU  90          HD23      LEU  90  -4.506  -6.782   7.249
  496    H    LYS  91           HN       LYS  91  -0.182  -6.796   9.420
  497    HA   LYS  91           HA       LYS  91   1.427  -7.540  10.809
  498    HB2  LYS  91           HB2      LYS  91  -0.975  -7.696  12.027
  499    HB3  LYS  91           HB3      LYS  91  -0.399  -9.344  12.243
  500    HG2  LYS  91           HG2      LYS  91   0.241  -8.050  14.146
  501    HG3  LYS  91           HG3      LYS  91   1.683  -8.443  13.200
  502    HD2  LYS  91           HD2      LYS  91   1.808  -6.254  12.306
  503    HD3  LYS  91           HD3      LYS  91   0.195  -5.842  12.889
  504    HE2  LYS  91           HE2      LYS  91   2.025  -4.828  14.218
  505    HE3  LYS  91           HE3      LYS  91   0.956  -5.860  15.164
  506    HZ1  LYS  91           HZ1      LYS  91   3.506  -6.861  14.039
  507    HZ2  LYS  91           HZ2      LYS  91   2.564  -7.534  15.282
  508    HZ3  LYS  91           HZ3      LYS  91   3.425  -6.100  15.552
  509    H    GLY  92           HN       GLY  92   0.846  -9.405   8.424
  510    HA2  GLY  92           HA1      GLY  92   2.643 -11.471   9.385
  511    HA3  GLY  92           HA2      GLY  92   1.094 -11.992   8.726
  512    H    VAL  93           HN       VAL  93   3.462  -9.529   7.853
  513    HA   VAL  93           HA       VAL  93   3.215 -10.297   5.057
  514    HB   VAL  93           HB       VAL  93   3.521  -7.803   6.410
  515   HG11  VAL  93          HG11      VAL  93   5.320  -6.776   5.121
  516   HG12  VAL  93          HG12      VAL  93   5.934  -8.054   6.169
  517   HG13  VAL  93          HG13      VAL  93   5.738  -8.349   4.441
  518   HG21  VAL  93          HG21      VAL  93   2.016  -8.309   4.556
  519   HG22  VAL  93          HG22      VAL  93   3.038  -6.912   4.207
  520   HG23  VAL  93          HG23      VAL  93   3.413  -8.476   3.481
  521    H    ASP  94           HN       ASP  94   4.911 -11.092   3.872
  522    HA   ASP  94           HA       ASP  94   7.176 -12.090   5.350
  523    HB2  ASP  94           HB2      ASP  94   6.661 -12.162   2.363
  524    HB3  ASP  94           HB3      ASP  94   7.854 -13.111   3.241
  525    H    PHE  95           HN       PHE  95   8.295 -10.272   6.019
  526    HA   PHE  95           HA       PHE  95   8.587  -7.942   4.496
  527    HB2  PHE  95           HB2      PHE  95  10.387  -8.932   6.721
  528    HB3  PHE  95           HB3      PHE  95  10.260  -7.274   6.148
  529    HD1  PHE  95           HD1      PHE  95   8.240  -5.956   6.617
  530    HD2  PHE  95           HD2      PHE  95   8.787  -9.856   8.228
  531    HE1  PHE  95           HE1      PHE  95   6.459  -5.523   8.260
  532    HE2  PHE  95           HE2      PHE  95   7.009  -9.428   9.873
  533    HZ   PHE  95           HZ       PHE  95   5.868  -7.259   9.917
  534    H    GLN  96           HN       GLN  96  10.283 -10.929   4.495
  535    HA   GLN  96           HA       GLN  96  12.618  -9.910   3.136
  536    HB2  GLN  96           HB2      GLN  96  11.710 -12.704   3.804
  537    HB3  GLN  96           HB3      GLN  96  13.196 -12.351   2.930
  538    HG2  GLN  96           HG2      GLN  96  12.521 -11.388   5.701
  539    HG3  GLN  96           HG3      GLN  96  13.618 -12.712   5.302
  540   HE21  GLN  96          HE21      GLN  96  13.156  -9.256   5.266
  541   HE22  GLN  96          HE22      GLN  96  14.800  -8.838   4.921
  542    H    LYS  97           HN       LYS  97   9.574 -11.357   2.233
  543    HA   LYS  97           HA       LYS  97  10.363 -11.675  -0.533
  544    HB2  LYS  97           HB2      LYS  97   8.354 -12.801   0.861
  545    HB3  LYS  97           HB3      LYS  97   7.485 -11.412   0.223
  546    HG2  LYS  97           HG2      LYS  97   9.011 -13.324  -1.529
  547    HG3  LYS  97           HG3      LYS  97   7.316 -13.549  -1.100
  548    HD2  LYS  97           HD2      LYS  97   6.792 -11.360  -2.099
  549    HD3  LYS  97           HD3      LYS  97   8.487 -11.176  -2.554
  550    HE2  LYS  97           HE2      LYS  97   6.803 -13.503  -3.447
  551    HE3  LYS  97           HE3      LYS  97   6.901 -11.998  -4.359
  552    HZ1  LYS  97           HZ1      LYS  97   9.286 -13.603  -3.620
  553    HZ2  LYS  97           HZ2      LYS  97   9.196 -12.323  -4.730
  554    HZ3  LYS  97           HZ3      LYS  97   8.448 -13.804  -5.080
  555    H    PHE  98           HN       PHE  98   9.258  -9.319   1.619
  556    HA   PHE  98           HA       PHE  98   8.425  -7.401  -0.383
  557    HB2  PHE  98           HB2      PHE  98   8.397  -7.550   2.590
  558    HB3  PHE  98           HB3      PHE  98   8.403  -5.955   1.840
  559    HD1  PHE  98           HD1      PHE  98   6.575  -5.217   0.483
  560    HD2  PHE  98           HD2      PHE  98   6.483  -9.009   2.404
  561    HE1  PHE  98           HE1      PHE  98   4.163  -5.354   0.086
  562    HE2  PHE  98           HE2      PHE  98   4.068  -9.155   2.002
  563    HZ   PHE  98           HZ       PHE  98   2.902  -7.320   0.850
  564    H    CYS  99           HN       CYS  99  11.243  -8.514   0.034
  565    HA   CYS  99           HA       CYS  99  12.856  -6.294   0.832
  566    HB2  CYS  99           HB2      CYS  99  13.497  -8.770   0.860
  567    HB3  CYS  99           HB3      CYS  99  13.693  -8.617  -0.886
  568    HG   CYS  99           HG       CYS  99  16.146  -8.542   0.732
  569    H    MET 100           HN       MET 100  11.822  -4.686  -0.553
  570    HA   MET 100           HA       MET 100  12.913  -4.811  -3.272
  571    HB2  MET 100           HB2      MET 100  10.374  -3.592  -2.247
  572    HB3  MET 100           HB3      MET 100  11.130  -2.963  -3.703
  573    HG2  MET 100           HG2      MET 100   9.631  -4.443  -4.574
  574    HG3  MET 100           HG3      MET 100  11.092  -5.443  -4.455
  575    HE1  MET 100           HE1      MET 100   7.603  -5.656  -1.438
  576    HE2  MET 100           HE2      MET 100   8.738  -4.306  -1.490
  577    HE3  MET 100           HE3      MET 100   7.631  -4.578  -2.835
  578    H    SER 101           HN       SER 101  14.447  -3.418  -3.714
  579    HA   SER 101           HA       SER 101  14.737  -0.927  -2.318
  580    HB2  SER 101           HB2      SER 101  16.622  -1.953  -3.611
  581    HB3  SER 101           HB3      SER 101  15.693  -1.740  -5.094
  582    HG   SER 101           HG       SER 101  16.401   0.406  -3.373
  583    H    GLY 102           HN       GLY 102  13.911   1.125  -3.201
  584    HA2  GLY 102           HA1      GLY 102  11.249   0.964  -3.830
  585    HA3  GLY 102           HA2      GLY 102  12.237   2.380  -4.122
  586    H    ALA 103           HN       ALA 103  13.938   1.294  -6.141
  587    HA   ALA 103           HA       ALA 103  12.396   1.613  -8.462
  588    HB1  ALA 103           HB1      ALA 103  14.828   1.934  -8.396
  589    HB2  ALA 103           HB2      ALA 103  15.048   0.200  -8.162
  590    HB3  ALA 103           HB3      ALA 103  14.358   0.805  -9.667
  591    H    ALA 104           HN       ALA 104  13.439  -1.228  -6.692
  592    HA   ALA 104           HA       ALA 104  12.347  -3.156  -8.475
  593    HB1  ALA 104           HB1      ALA 104  14.143  -3.702  -6.894
  594    HB2  ALA 104           HB2      ALA 104  13.039  -3.408  -5.546
  595    HB3  ALA 104           HB3      ALA 104  12.737  -4.743  -6.662
  596    H    LEU 105           HN       LEU 105  11.228  -1.734  -5.349
  597    HA   LEU 105           HA       LEU 105   8.849  -2.857  -4.985
  598    HB2  LEU 105           HB2      LEU 105   9.743  -1.090  -3.562
  599    HB3  LEU 105           HB3      LEU 105   9.479   0.102  -4.832
  600    HG   LEU 105           HG       LEU 105   7.048  -0.420  -4.714
  601   HD11  LEU 105          HD11      LEU 105   7.953  -2.067  -2.373
  602   HD12  LEU 105          HD12      LEU 105   6.288  -1.517  -2.588
  603   HD13  LEU 105          HD13      LEU 105   7.022  -2.589  -3.783
  604   HD21  LEU 105          HD21      LEU 105   6.628   0.858  -2.722
  605   HD22  LEU 105          HD22      LEU 105   8.262   0.530  -2.138
  606   HD23  LEU 105          HD23      LEU 105   8.021   1.513  -3.582
  607    H    CYS 106           HN       CYS 106   9.315  -0.010  -6.927
  608    HA   CYS 106           HA       CYS 106   6.781   0.150  -8.006
  609    HB2  CYS 106           HB2      CYS 106   8.558   1.898  -7.973
  610    HB3  CYS 106           HB3      CYS 106   9.366   1.031  -9.270
  611    HG   CYS 106           HG       CYS 106   6.694   1.303 -10.720
  612    H    ALA 107           HN       ALA 107   9.704  -1.386  -9.374
  613    HA   ALA 107           HA       ALA 107   8.682  -1.914 -11.890
  614    HB1  ALA 107           HB1      ALA 107  10.780  -3.498 -10.435
  615    HB2  ALA 107           HB2      ALA 107  10.544  -3.402 -12.180
  616    HB3  ALA 107           HB3      ALA 107  11.058  -1.974 -11.280
  617    H    LEU 108           HN       LEU 108   8.178  -3.791  -8.932
  618    HA   LEU 108           HA       LEU 108   7.724  -6.264 -10.142
  619    HB2  LEU 108           HB2      LEU 108   6.275  -6.751  -8.072
  620    HB3  LEU 108           HB3      LEU 108   7.982  -6.446  -7.863
  621    HG   LEU 108           HG       LEU 108   7.430  -4.115  -7.159
  622   HD11  LEU 108          HD11      LEU 108   4.583  -5.122  -7.260
  623   HD12  LEU 108          HD12      LEU 108   5.111  -3.651  -6.432
  624   HD13  LEU 108          HD13      LEU 108   5.272  -3.787  -8.183
  625   HD21  LEU 108          HD21      LEU 108   7.890  -5.865  -5.554
  626   HD22  LEU 108          HD22      LEU 108   6.646  -4.773  -4.944
  627   HD23  LEU 108          HD23      LEU 108   6.197  -6.356  -5.577
  628    H    GLY 109           HN       GLY 109   5.541  -3.546  -9.822
  629    HA2  GLY 109           HA1      GLY 109   3.527  -3.157 -10.878
  630    HA3  GLY 109           HA2      GLY 109   3.782  -4.638 -11.791
  631    H    LYS 110           HN       LYS 110   1.267  -4.001 -10.944
  632    HA   LYS 110           HA       LYS 110   0.347  -4.848  -8.541
  633    HB2  LYS 110           HB2      LYS 110  -1.580  -4.383  -9.574
  634    HB3  LYS 110           HB3      LYS 110  -0.775  -4.431 -11.131
  635    HG2  LYS 110           HG2      LYS 110  -2.506  -5.945 -11.389
  636    HG3  LYS 110           HG3      LYS 110  -1.137  -6.978 -10.990
  637    HD2  LYS 110           HD2      LYS 110  -2.067  -6.550  -8.530
  638    HD3  LYS 110           HD3      LYS 110  -3.569  -6.356  -9.435
  639    HE2  LYS 110           HE2      LYS 110  -1.731  -8.756  -9.625
  640    HE3  LYS 110           HE3      LYS 110  -3.201  -8.687  -8.656
  641    HZ1  LYS 110           HZ1      LYS 110  -2.992  -8.543 -11.619
  642    HZ2  LYS 110           HZ2      LYS 110  -4.420  -8.213 -10.767
  643    HZ3  LYS 110           HZ3      LYS 110  -3.727  -9.761 -10.688
  644    H    GLU 111           HN       GLU 111   0.867  -7.061 -11.326
  645    HA   GLU 111           HA       GLU 111  -0.117  -9.346 -10.176
  646    HB2  GLU 111           HB2      GLU 111   2.273  -9.231 -12.016
  647    HB3  GLU 111           HB3      GLU 111   1.221 -10.614 -11.757
  648    HG2  GLU 111           HG2      GLU 111   0.283  -9.865 -13.654
  649    HG3  GLU 111           HG3      GLU 111  -0.611  -8.841 -12.531
  650    H    CYS 112           HN       CYS 112   3.313  -8.443 -10.204
  651    HA   CYS 112           HA       CYS 112   4.156 -10.626  -8.681
  652    HB2  CYS 112           HB2      CYS 112   5.729  -9.342 -10.024
  653    HB3  CYS 112           HB3      CYS 112   5.472  -7.927  -9.009
  654    HG   CYS 112           HG       CYS 112   6.552 -10.737  -7.464
  655    H    PHE 113           HN       PHE 113   3.528  -7.250  -7.671
  656    HA   PHE 113           HA       PHE 113   4.142  -7.531  -5.015
  657    HB2  PHE 113           HB2      PHE 113   3.384  -5.432  -6.379
  658    HB3  PHE 113           HB3      PHE 113   1.781  -5.853  -5.789
  659    HD1  PHE 113           HD2      PHE 113   1.607  -6.298  -3.252
  660    HD2  PHE 113           HD1      PHE 113   4.762  -4.043  -5.047
  661    HE1  PHE 113           HE2      PHE 113   2.110  -5.280  -1.087
  662    HE2  PHE 113           HE1      PHE 113   5.260  -3.041  -2.869
  663    HZ   PHE 113           HZ       PHE 113   3.950  -3.665  -0.886
  664    H    LEU 114           HN       LEU 114   1.036  -8.313  -6.563
  665    HA   LEU 114           HA       LEU 114  -0.163  -8.835  -4.000
  666    HB2  LEU 114           HB2      LEU 114  -1.361  -9.835  -6.544
  667    HB3  LEU 114           HB3      LEU 114  -2.151  -9.354  -5.058
  668    HG   LEU 114           HG       LEU 114  -1.258  -7.719  -7.348
  669   HD11  LEU 114          HD11      LEU 114  -3.311  -6.499  -6.775
  670   HD12  LEU 114          HD12      LEU 114  -3.590  -8.223  -7.028
  671   HD13  LEU 114          HD13      LEU 114  -3.537  -7.569  -5.391
  672   HD21  LEU 114          HD21      LEU 114  -1.413  -6.506  -4.606
  673   HD22  LEU 114          HD22      LEU 114   0.094  -6.845  -5.462
  674   HD23  LEU 114          HD23      LEU 114  -1.060  -5.691  -6.133
  675    H    GLU 115           HN       GLU 115   1.553 -10.695  -6.354
  676    HA   GLU 115           HA       GLU 115   1.021 -13.232  -5.156
  677    HB2  GLU 115           HB2      GLU 115   3.430 -12.251  -6.693
  678    HB3  GLU 115           HB3      GLU 115   3.142 -13.925  -6.250
  679    HG2  GLU 115           HG2      GLU 115   1.133 -13.945  -7.648
  680    HG3  GLU 115           HG3      GLU 115   1.457 -12.271  -8.110
  681    H    LEU 116           HN       LEU 116   2.784 -10.480  -4.410
  682    HA   LEU 116           HA       LEU 116   4.999 -11.748  -3.082
  683    HB2  LEU 116           HB2      LEU 116   5.638  -9.976  -4.384
  684    HB3  LEU 116           HB3      LEU 116   4.197  -9.048  -4.032
  685    HG   LEU 116           HG       LEU 116   6.023  -9.395  -1.778
  686   HD11  LEU 116          HD11      LEU 116   6.786  -7.725  -4.160
  687   HD12  LEU 116          HD12      LEU 116   7.603  -7.727  -2.597
  688   HD13  LEU 116          HD13      LEU 116   7.634  -9.171  -3.610
  689   HD21  LEU 116          HD21      LEU 116   4.701  -7.023  -3.040
  690   HD22  LEU 116          HD22      LEU 116   4.015  -8.003  -1.744
  691   HD23  LEU 116          HD23      LEU 116   5.483  -7.066  -1.460
  692    H    ALA 117           HN       ALA 117   1.980 -10.300  -2.276
  693    HA   ALA 117           HA       ALA 117   2.446 -11.123   0.517
  694    HB1  ALA 117           HB1      ALA 117   0.981  -9.299   1.289
  695    HB2  ALA 117           HB2      ALA 117   2.405  -8.670   0.455
  696    HB3  ALA 117           HB3      ALA 117   0.848  -8.709  -0.370
  697    HA   PRO 118           HA       PRO 118  -1.732 -13.082   0.143
  698    HB2  PRO 118           HB2      PRO 118  -2.798 -10.941   1.924
  699    HB3  PRO 118           HB3      PRO 118  -3.046 -12.690   2.004
  700    HG2  PRO 118           HG2      PRO 118  -1.392 -11.475   3.705
  701    HG3  PRO 118           HG3      PRO 118  -0.997 -13.065   3.029
  702    HD2  PRO 118           HD2      PRO 118   0.121 -10.388   2.355
  703    HD3  PRO 118           HD3      PRO 118   0.913 -11.977   2.354
  704    H    ASP 119           HN       ASP 119  -3.420 -12.710  -1.253
  705    HA   ASP 119           HA       ASP 119  -3.058 -10.790  -3.186
  706    HB2  ASP 119           HB2      ASP 119  -5.105 -11.507  -4.193
  707    HB3  ASP 119           HB3      ASP 119  -4.317 -12.910  -3.482
  708    H    PHE 120           HN       PHE 120  -4.731 -10.268  -0.184
  709    HA   PHE 120           HA       PHE 120  -6.191  -8.002  -1.271
  710    HB2  PHE 120           HB2      PHE 120  -7.331  -9.448   0.396
  711    HB3  PHE 120           HB3      PHE 120  -6.078  -9.036   1.561
  712    HD1  PHE 120           HD1      PHE 120  -7.531  -6.599  -0.799
  713    HD2  PHE 120           HD2      PHE 120  -7.523  -8.091   3.191
  714    HE1  PHE 120           HE1      PHE 120  -8.828  -4.641  -0.067
  715    HE2  PHE 120           HE2      PHE 120  -8.819  -6.132   3.926
  716    HZ   PHE 120           HZ       PHE 120  -9.469  -4.404   2.297
  717    H    VAL 121           HN       VAL 121  -3.547  -8.878   0.734
  718    HA   VAL 121           HA       VAL 121  -2.980  -6.294   1.761
  719    HB   VAL 121           HB       VAL 121  -1.363  -8.835   1.668
  720   HG11  VAL 121          HG11      VAL 121  -0.942  -6.303   3.250
  721   HG12  VAL 121          HG12      VAL 121  -0.069  -7.816   3.509
  722   HG13  VAL 121          HG13      VAL 121   0.105  -6.947   1.984
  723   HG21  VAL 121          HG21      VAL 121  -2.218  -9.209   3.877
  724   HG22  VAL 121          HG22      VAL 121  -3.022  -7.635   3.870
  725   HG23  VAL 121          HG23      VAL 121  -3.573  -8.905   2.777
  726    H    GLY 122           HN       GLY 122  -1.614  -8.375  -0.778
  727    HA2  GLY 122           HA1      GLY 122   0.418  -6.729  -1.677
  728    HA3  GLY 122           HA2      GLY 122  -0.536  -7.800  -2.698
  729    H    ASP 123           HN       ASP 123  -3.056  -6.651  -2.510
  730    HA   ASP 123           HA       ASP 123  -2.684  -4.487  -4.353
  731    HB2  ASP 123           HB2      ASP 123  -4.469  -6.114  -4.738
  732    HB3  ASP 123           HB3      ASP 123  -5.233  -5.664  -3.214
  733    H    ILE 124           HN       ILE 124  -3.847  -4.847  -1.034
  734    HA   ILE 124           HA       ILE 124  -4.464  -2.236  -0.432
  735    HB   ILE 124           HB       ILE 124  -3.280  -4.468   1.162
  736   HG12  ILE 124          HG12      ILE 124  -5.763  -2.773   1.515
  737   HG13  ILE 124          HG13      ILE 124  -5.710  -4.312   0.658
  738   HG21  ILE 124          HG21      ILE 124  -2.107  -2.492   2.012
  739   HG22  ILE 124          HG22      ILE 124  -3.646  -1.651   2.213
  740   HG23  ILE 124          HG23      ILE 124  -3.283  -3.077   3.191
  741   HD11  ILE 124          HD11      ILE 124  -6.569  -4.545   2.933
  742   HD12  ILE 124          HD12      ILE 124  -5.074  -5.452   2.701
  743   HD13  ILE 124          HD13      ILE 124  -5.050  -3.915   3.567
  744    H    LEU 125           HN       LEU 125  -1.263  -3.681   0.097
  745    HA   LEU 125           HA       LEU 125   0.067  -1.258   0.378
  746    HB2  LEU 125           HB2      LEU 125   0.810  -4.064  -0.160
  747    HB3  LEU 125           HB3      LEU 125   2.021  -2.839  -0.518
  748    HG   LEU 125           HG       LEU 125   0.629  -3.105   2.136
  749   HD11  LEU 125          HD11      LEU 125   3.350  -4.070   1.277
  750   HD12  LEU 125          HD12      LEU 125   2.730  -4.080   2.927
  751   HD13  LEU 125          HD13      LEU 125   1.970  -5.086   1.695
  752   HD21  LEU 125          HD21      LEU 125   1.464  -0.873   1.628
  753   HD22  LEU 125          HD22      LEU 125   2.431  -1.633   2.896
  754   HD23  LEU 125          HD23      LEU 125   3.051  -1.544   1.246
  755    H    TRP 126           HN       TRP 126  -0.632  -3.167  -2.520
  756    HA   TRP 126           HA       TRP 126   0.973  -1.678  -4.283
  757    HB2  TRP 126           HB2      TRP 126   0.127  -3.788  -5.051
  758    HB3  TRP 126           HB3      TRP 126  -1.542  -3.273  -4.810
  759    HD1  TRP 126           HD1      TRP 126  -2.718  -2.397  -6.887
  760    HE1  TRP 126           HE1      TRP 126  -1.973  -1.407  -9.158
  761    HE3  TRP 126           HE3      TRP 126   2.330  -2.458  -6.180
  762    HZ2  TRP 126           HZ2      TRP 126   0.460  -0.762 -10.462
  763    HZ3  TRP 126           HZ3      TRP 126   3.798  -1.653  -7.981
  764    HH2  TRP 126           HH2      TRP 126   2.878  -0.827 -10.083
  765    H    GLU 127           HN       GLU 127  -2.390  -1.213  -3.218
  766    HA   GLU 127           HA       GLU 127  -3.011   0.974  -4.821
  767    HB2  GLU 127           HB2      GLU 127  -4.032  -0.132  -2.325
  768    HB3  GLU 127           HB3      GLU 127  -4.170   1.622  -2.399
  769    HG2  GLU 127           HG2      GLU 127  -5.209  -0.309  -4.449
  770    HG3  GLU 127           HG3      GLU 127  -6.173   0.523  -3.226
  771    H    HIS 128           HN       HIS 128  -1.757   1.091  -1.457
  772    HA   HIS 128           HA       HIS 128  -1.255   3.860  -1.613
  773    HB2  HIS 128           HB2      HIS 128  -1.255   2.436   0.517
  774    HB3  HIS 128           HB3      HIS 128   0.401   2.001   0.096
  775    HD1  HIS 128           HD1      HIS 128   0.569   3.335   2.596
  776    HD2  HIS 128           HD2      HIS 128   0.038   5.598  -0.862
  777    HE1  HIS 128           HE1      HIS 128   1.261   5.678   3.209
  778    HE2  HIS 128           HE2      HIS 128   0.777   7.056   1.158
  779    H    LEU 129           HN       LEU 129   0.718   1.107  -2.619
  780    HA   LEU 129           HA       LEU 129   3.066   2.475  -3.188
  781    HB2  LEU 129           HB2      LEU 129   2.835   0.042  -3.380
  782    HB3  LEU 129           HB3      LEU 129   1.720   0.237  -4.715
  783    HG   LEU 129           HG       LEU 129   3.399   0.771  -6.226
  784   HD11  LEU 129          HD11      LEU 129   4.339   2.603  -4.852
  785   HD12  LEU 129          HD12      LEU 129   5.217   1.406  -3.900
  786   HD13  LEU 129          HD13      LEU 129   5.586   1.611  -5.612
  787   HD21  LEU 129          HD21      LEU 129   3.630  -1.540  -5.368
  788   HD22  LEU 129          HD22      LEU 129   5.154  -0.860  -5.941
  789   HD23  LEU 129          HD23      LEU 129   4.828  -0.959  -4.211
  790    H    GLU 130           HN       GLU 130   0.188   1.932  -5.120
  791    HA   GLU 130           HA       GLU 130   1.078   3.444  -7.277
  792    HB2  GLU 130           HB2      GLU 130  -0.794   1.698  -7.241
  793    HB3  GLU 130           HB3      GLU 130  -1.823   2.959  -6.573
  794    HG2  GLU 130           HG2      GLU 130  -1.372   4.330  -8.582
  795    HG3  GLU 130           HG3      GLU 130  -0.453   2.982  -9.253
  796    H    ILE 131           HN       ILE 131  -0.850   4.189  -4.467
  797    HA   ILE 131           HA       ILE 131  -1.556   6.814  -5.076
  798    HB   ILE 131           HB       ILE 131  -1.338   5.241  -2.563
  799   HG12  ILE 131          HG12      ILE 131  -3.695   5.746  -2.361
  800   HG13  ILE 131          HG13      ILE 131  -3.601   6.929  -3.662
  801   HG21  ILE 131          HG21      ILE 131  -1.695   8.228  -2.660
  802   HG22  ILE 131          HG22      ILE 131  -2.128   7.224  -1.269
  803   HG23  ILE 131          HG23      ILE 131  -0.444   7.323  -1.804
  804   HD11  ILE 131          HD11      ILE 131  -3.358   3.936  -3.901
  805   HD12  ILE 131          HD12      ILE 131  -4.686   4.953  -4.460
  806   HD13  ILE 131          HD13      ILE 131  -3.103   5.071  -5.232
  807    H    LEU 132           HN       LEU 132   1.369   5.597  -3.378
  808    HA   LEU 132           HA       LEU 132   2.447   8.062  -2.658
  809    HB2  LEU 132           HB2      LEU 132   4.104   5.774  -3.676
  810    HB3  LEU 132           HB3      LEU 132   4.611   7.051  -2.589
  811    HG   LEU 132           HG       LEU 132   2.363   5.412  -1.639
  812   HD11  LEU 132          HD11      LEU 132   3.886   3.564  -1.038
  813   HD12  LEU 132          HD12      LEU 132   3.679   3.741  -2.782
  814   HD13  LEU 132          HD13      LEU 132   5.154   4.322  -2.006
  815   HD21  LEU 132          HD21      LEU 132   3.398   7.090  -0.200
  816   HD22  LEU 132          HD22      LEU 132   3.701   5.476   0.445
  817   HD23  LEU 132          HD23      LEU 132   4.980   6.337  -0.416
  818    H    GLN 133           HN       GLN 133   2.641   6.290  -5.639
  819    HA   GLN 133           HA       GLN 133   4.432   8.232  -6.822
  820    HB2  GLN 133           HB2      GLN 133   4.503   6.796  -8.752
  821    HB3  GLN 133           HB3      GLN 133   4.701   5.816  -7.310
  822    HG2  GLN 133           HG2      GLN 133   2.137   5.460  -7.532
  823    HG3  GLN 133           HG3      GLN 133   2.406   5.967  -9.199
  824   HE21  GLN 133          HE21      GLN 133   3.048   3.579  -6.786
  825   HE22  GLN 133          HE22      GLN 133   3.613   2.340  -7.862
  826    H    LYS 134           HN       LYS 134   0.979   7.475  -6.783
  827    HA   LYS 134           HA       LYS 134   0.166   8.864  -8.969
  828    HB2  LYS 134           HB2      LYS 134  -1.713   7.962  -8.215
  829    HB3  LYS 134           HB3      LYS 134  -0.970   7.641  -6.663
  830    HG2  LYS 134           HG2      LYS 134  -2.056  10.358  -7.196
  831    HG3  LYS 134           HG3      LYS 134  -3.173   9.035  -6.868
  832    HD2  LYS 134           HD2      LYS 134  -1.747   8.563  -4.796
  833    HD3  LYS 134           HD3      LYS 134  -1.004  10.134  -5.097
  834    HE2  LYS 134           HE2      LYS 134  -3.954   9.657  -4.687
  835    HE3  LYS 134           HE3      LYS 134  -2.838  10.265  -3.466
  836    HZ1  LYS 134           HZ1      LYS 134  -4.111  12.036  -4.559
  837    HZ2  LYS 134           HZ2      LYS 134  -3.419  11.617  -6.051
  838    HZ3  LYS 134           HZ3      LYS 134  -2.440  12.209  -4.795
  839    H    GLU 135           HN       GLU 135   1.338  10.183  -5.963
  840    HA   GLU 135           HA       GLU 135   0.305  12.771  -6.210
  841    HB2  GLU 135           HB2      GLU 135   2.855  11.742  -4.979
  842    HB3  GLU 135           HB3      GLU 135   2.333  13.417  -4.848
  843    HG2  GLU 135           HG2      GLU 135   0.741  11.042  -3.907
  844    HG3  GLU 135           HG3      GLU 135   1.756  12.049  -2.876
  845    H    ASP 136           HN       ASP 136   2.641  11.126  -8.070
  846    HA   ASP 136           HA       ASP 136   2.995  13.520  -9.717
  847    HB2  ASP 136           HB2      ASP 136   5.160  11.995  -8.372
  848    HB3  ASP 136           HB3      ASP 136   5.437  12.423 -10.057
  849    H    VAL 137           HN       VAL 137   1.272  11.278 -10.064
  850    HA   VAL 137           HA       VAL 137   2.654   9.504 -11.917
  851    HB   VAL 137           HB       VAL 137   1.121   8.560 -10.173
  852   HG11  VAL 137          HG11      VAL 137  -1.061   9.719 -11.902
  853   HG12  VAL 137          HG12      VAL 137  -1.287   8.605 -10.553
  854   HG13  VAL 137          HG13      VAL 137  -0.657  10.227 -10.261
  855   HG21  VAL 137          HG21      VAL 137   0.093   6.911 -11.673
  856   HG22  VAL 137          HG22      VAL 137   0.442   7.957 -13.049
  857   HG23  VAL 137          HG23      VAL 137   1.764   7.258 -12.115
  858    H    LYS 138           HN       LYS 138   2.453   9.531 -14.034
  859    HA   LYS 138           HA       LYS 138   0.146  10.818 -15.278
  860    HB2  LYS 138           HB2      LYS 138   3.032  11.431 -15.936
  861    HB3  LYS 138           HB3      LYS 138   1.692  11.815 -17.009
  862    HG2  LYS 138           HG2      LYS 138   0.723  13.243 -15.262
  863    HG3  LYS 138           HG3      LYS 138   2.105  12.885 -14.223
  864    HD2  LYS 138           HD2      LYS 138   3.610  13.913 -15.817
  865    HD3  LYS 138           HD3      LYS 138   2.276  14.186 -16.939
  866    HE2  LYS 138           HE2      LYS 138   1.209  15.665 -15.309
  867    HE3  LYS 138           HE3      LYS 138   2.542  15.393 -14.187
  868    HZ1  LYS 138           HZ1      LYS 138   2.743  17.478 -15.441
  869    HZ2  LYS 138           HZ2      LYS 138   2.826  16.595 -16.887
  870    HZ3  LYS 138           HZ3      LYS 138   4.046  16.430 -15.722
  Start of MODEL    5
    1    H1   MET  29           H1       MET  29 -28.686 -15.058  -1.950
    2    H2   MET  29           H2       MET  29 -27.687 -13.696  -2.015
    3    H3   MET  29           H3       MET  29 -27.239 -15.029  -1.072
    4    HA   MET  29           HA       MET  29 -25.986 -14.893  -3.144
    5    HB2  MET  29           HB2      MET  29 -26.509 -17.079  -2.002
    6    HB3  MET  29           HB3      MET  29 -27.862 -17.268  -3.112
    7    HG2  MET  29           HG2      MET  29 -26.201 -17.089  -4.993
    8    HG3  MET  29           HG3      MET  29 -24.931 -17.190  -3.775
    9    HE1  MET  29           HE1      MET  29 -27.915 -20.539  -4.829
   10    HE2  MET  29           HE2      MET  29 -28.425 -19.072  -3.991
   11    HE3  MET  29           HE3      MET  29 -27.804 -18.975  -5.639
   12    H    GLU  30           HN       GLU  30 -26.853 -13.138  -4.397
   13    HA   GLU  30           HA       GLU  30 -28.975 -13.796  -6.270
   14    HB2  GLU  30           HB2      GLU  30 -28.548 -11.453  -7.119
   15    HB3  GLU  30           HB3      GLU  30 -29.096 -11.567  -5.456
   16    HG2  GLU  30           HG2      GLU  30 -26.187 -11.321  -6.141
   17    HG3  GLU  30           HG3      GLU  30 -27.231  -9.909  -6.007
   18    H    CYS  31           HN       CYS  31 -28.543 -14.872  -8.064
   19    HA   CYS  31           HA       CYS  31 -25.797 -14.820  -9.104
   20    HB2  CYS  31           HB2      CYS  31 -28.023 -16.802  -9.619
   21    HB3  CYS  31           HB3      CYS  31 -26.383 -16.921 -10.246
   22    HG   CYS  31           HG       CYS  31 -25.507 -18.295  -8.274
   23    H    ALA  32           HN       ALA  32 -29.059 -13.945  -9.905
   24    HA   ALA  32           HA       ALA  32 -28.679 -13.816 -12.737
   25    HB1  ALA  32           HB1      ALA  32 -30.713 -12.425 -10.994
   26    HB2  ALA  32           HB2      ALA  32 -30.765 -12.528 -12.753
   27    HB3  ALA  32           HB3      ALA  32 -30.912 -13.991 -11.780
   28    H    ASP  33           HN       ASP  33 -28.498 -11.513 -10.077
   29    HA   ASP  33           HA       ASP  33 -26.885  -9.766 -11.818
   30    HB2  ASP  33           HB2      ASP  33 -28.667  -8.918  -9.513
   31    HB3  ASP  33           HB3      ASP  33 -27.608  -7.847 -10.424
   32    H    VAL  34           HN       VAL  34 -25.412 -11.558 -10.921
   33    HA   VAL  34           HA       VAL  34 -24.749 -11.524  -8.164
   34    HB   VAL  34           HB       VAL  34 -24.471 -13.534  -9.519
   35   HG11  VAL  34          HG11      VAL  34 -22.632 -13.755 -11.121
   36   HG12  VAL  34          HG12      VAL  34 -23.801 -12.535 -11.624
   37   HG13  VAL  34          HG13      VAL  34 -22.260 -12.043 -10.923
   38   HG21  VAL  34          HG21      VAL  34 -22.218 -14.189  -8.752
   39   HG22  VAL  34          HG22      VAL  34 -21.887 -12.502  -8.358
   40   HG23  VAL  34          HG23      VAL  34 -23.161 -13.374  -7.504
   41    HA   PRO  35           HA       PRO  35 -21.943  -8.035  -8.246
   42    HB2  PRO  35           HB2      PRO  35 -21.281  -8.885  -5.523
   43    HB3  PRO  35           HB3      PRO  35 -22.035  -7.387  -6.074
   44    HG2  PRO  35           HG2      PRO  35 -23.404  -9.256  -4.707
   45    HG3  PRO  35           HG3      PRO  35 -24.160  -8.254  -5.958
   46    HD2  PRO  35           HD2      PRO  35 -23.185 -11.084  -6.134
   47    HD3  PRO  35           HD3      PRO  35 -24.675 -10.364  -6.782
   48    H    LEU  36           HN       LEU  36 -19.717  -7.763  -8.364
   49    HA   LEU  36           HA       LEU  36 -18.125 -10.230  -8.100
   50    HB2  LEU  36           HB2      LEU  36 -17.969  -8.171 -10.300
   51    HB3  LEU  36           HB3      LEU  36 -16.822  -9.481 -10.084
   52    HG   LEU  36           HG       LEU  36 -19.768  -9.844 -10.648
   53   HD11  LEU  36          HD11      LEU  36 -17.369 -10.086 -12.451
   54   HD12  LEU  36          HD12      LEU  36 -19.003 -10.601 -12.865
   55   HD13  LEU  36          HD13      LEU  36 -18.664  -8.896 -12.569
   56   HD21  LEU  36          HD21      LEU  36 -19.167 -12.184 -11.029
   57   HD22  LEU  36          HD22      LEU  36 -17.504 -11.834 -10.557
   58   HD23  LEU  36          HD23      LEU  36 -18.803 -11.688  -9.375
   59    H    LEU  37           HN       LEU  37 -18.144  -6.709  -8.046
   60    HA   LEU  37           HA       LEU  37 -15.516  -6.696  -6.769
   61    HB2  LEU  37           HB2      LEU  37 -16.370  -5.001  -8.564
   62    HB3  LEU  37           HB3      LEU  37 -17.220  -4.263  -7.225
   63    HG   LEU  37           HG       LEU  37 -15.064  -3.160  -7.768
   64   HD11  LEU  37          HD11      LEU  37 -14.200  -3.033  -5.482
   65   HD12  LEU  37          HD12      LEU  37 -15.962  -2.934  -5.530
   66   HD13  LEU  37          HD13      LEU  37 -15.176  -4.437  -5.043
   67   HD21  LEU  37          HD21      LEU  37 -13.799  -5.097  -8.479
   68   HD22  LEU  37          HD22      LEU  37 -12.969  -4.279  -7.156
   69   HD23  LEU  37          HD23      LEU  37 -13.864  -5.767  -6.848
   70    H    THR  38           HN       THR  38 -15.885  -7.587  -4.792
   71    HA   THR  38           HA       THR  38 -18.166  -6.795  -3.214
   72    HB   THR  38           HB       THR  38 -17.469  -9.137  -3.221
   73    HG1  THR  38           HG1      THR  38 -18.520  -8.490  -1.374
   74   HG21  THR  38          HG21      THR  38 -14.963  -8.208  -1.812
   75   HG22  THR  38          HG22      THR  38 -15.038  -8.817  -3.465
   76   HG23  THR  38          HG23      THR  38 -15.432  -9.879  -2.114
   77    HA   PRO  39           HA       PRO  39 -16.327  -3.341  -1.054
   78    HB2  PRO  39           HB2      PRO  39 -18.428  -4.391   0.811
   79    HB3  PRO  39           HB3      PRO  39 -18.044  -2.715   0.391
   80    HG2  PRO  39           HG2      PRO  39 -20.122  -3.877  -0.729
   81    HG3  PRO  39           HG3      PRO  39 -19.021  -2.894  -1.721
   82    HD2  PRO  39           HD2      PRO  39 -19.272  -5.867  -1.549
   83    HD3  PRO  39           HD3      PRO  39 -18.910  -4.836  -2.949
   84    H    SER  40           HN       SER  40 -16.780  -6.594   0.099
   85    HA   SER  40           HA       SER  40 -15.757  -6.551   2.630
   86    HB2  SER  40           HB2      SER  40 -15.122  -8.708   0.609
   87    HB3  SER  40           HB3      SER  40 -15.282  -8.883   2.357
   88    HG   SER  40           HG       SER  40 -17.241  -8.666   0.389
   89    H    SER  41           HN       SER  41 -13.866  -6.775  -0.410
   90    HA   SER  41           HA       SER  41 -11.431  -6.549   1.157
   91    HB2  SER  41           HB2      SER  41 -10.323  -6.764  -1.108
   92    HB3  SER  41           HB3      SER  41 -11.300  -8.141  -0.600
   93    HG   SER  41           HG       SER  41 -11.576  -7.279  -2.835
   94    H    LYS  42           HN       LYS  42 -12.746  -4.738  -1.682
   95    HA   LYS  42           HA       LYS  42 -10.584  -2.860  -1.187
   96    HB2  LYS  42           HB2      LYS  42 -10.958  -3.744  -3.478
   97    HB3  LYS  42           HB3      LYS  42 -12.464  -2.835  -3.538
   98    HG2  LYS  42           HG2      LYS  42 -11.422  -0.841  -3.775
   99    HG3  LYS  42           HG3      LYS  42 -10.044  -1.315  -2.773
  100    HD2  LYS  42           HD2      LYS  42 -10.553  -2.179  -5.628
  101    HD3  LYS  42           HD3      LYS  42  -9.377  -0.973  -5.103
  102    HE2  LYS  42           HE2      LYS  42  -8.481  -2.892  -3.597
  103    HE3  LYS  42           HE3      LYS  42  -9.354  -3.939  -4.712
  104    HZ1  LYS  42           HZ1      LYS  42  -7.178  -3.796  -5.509
  105    HZ2  LYS  42           HZ2      LYS  42  -7.096  -2.118  -5.299
  106    HZ3  LYS  42           HZ3      LYS  42  -8.071  -2.771  -6.527
  107    H    GLU  43           HN       GLU  43 -14.026  -2.899  -0.769
  108    HA   GLU  43           HA       GLU  43 -14.294  -0.043  -0.801
  109    HB2  GLU  43           HB2      GLU  43 -16.168  -1.732  -1.137
  110    HB3  GLU  43           HB3      GLU  43 -16.114  -2.000   0.598
  111    HG2  GLU  43           HG2      GLU  43 -17.882  -0.493   0.111
  112    HG3  GLU  43           HG3      GLU  43 -16.602   0.399   0.933
  113    H    MET  44           HN       MET  44 -13.365  -2.478   1.485
  114    HA   MET  44           HA       MET  44 -13.598  -0.874   3.820
  115    HB2  MET  44           HB2      MET  44 -11.768  -3.237   3.375
  116    HB3  MET  44           HB3      MET  44 -12.293  -2.594   4.926
  117    HG2  MET  44           HG2      MET  44 -13.913  -4.063   2.870
  118    HG3  MET  44           HG3      MET  44 -13.567  -4.538   4.528
  119    HE1  MET  44           HE1      MET  44 -16.445  -4.294   2.827
  120    HE2  MET  44           HE2      MET  44 -16.314  -5.081   4.402
  121    HE3  MET  44           HE3      MET  44 -17.505  -3.805   4.152
  122    H    MET  45           HN       MET  45 -10.842  -1.737   1.710
  123    HA   MET  45           HA       MET  45  -9.056   0.053   2.986
  124    HB2  MET  45           HB2      MET  45  -7.578  -0.263   1.130
  125    HB3  MET  45           HB3      MET  45  -8.326  -1.815   1.503
  126    HG2  MET  45           HG2      MET  45 -10.018  -1.161  -0.339
  127    HG3  MET  45           HG3      MET  45  -8.789   0.008  -0.820
  128    HE1  MET  45           HE1      MET  45  -6.103  -1.591  -0.156
  129    HE2  MET  45           HE2      MET  45  -5.785  -2.302  -1.739
  130    HE3  MET  45           HE3      MET  45  -6.375  -0.641  -1.617
  131    H    SER  46           HN       SER  46 -11.425   0.490   0.435
  132    HA   SER  46           HA       SER  46 -10.637   2.976  -0.497
  133    HB2  SER  46           HB2      SER  46 -12.472   1.643  -1.470
  134    HB3  SER  46           HB3      SER  46 -13.478   2.012  -0.070
  135    HG   SER  46           HG       SER  46 -13.776   3.394  -1.982
  136    H    GLN  47           HN       GLN  47 -12.755   2.230   2.281
  137    HA   GLN  47           HA       GLN  47 -12.682   4.947   3.175
  138    HB2  GLN  47           HB2      GLN  47 -13.704   4.002   5.287
  139    HB3  GLN  47           HB3      GLN  47 -14.620   3.759   3.809
  140    HG2  GLN  47           HG2      GLN  47 -13.818   1.460   3.684
  141    HG3  GLN  47           HG3      GLN  47 -12.881   1.706   5.156
  142   HE21  GLN  47          HE21      GLN  47 -15.025  -0.197   4.597
  143   HE22  GLN  47          HE22      GLN  47 -16.242   0.094   5.791
  144    H    ALA  48           HN       ALA  48 -11.086   1.947   4.311
  145    HA   ALA  48           HA       ALA  48  -9.796   3.234   6.477
  146    HB1  ALA  48           HB1      ALA  48  -9.030   0.625   5.184
  147    HB2  ALA  48           HB2      ALA  48  -8.603   1.172   6.804
  148    HB3  ALA  48           HB3      ALA  48 -10.286   0.820   6.408
  149    H    LEU  49           HN       LEU  49  -8.442   2.133   3.311
  150    HA   LEU  49           HA       LEU  49  -5.789   2.920   4.035
  151    HB2  LEU  49           HB2      LEU  49  -7.120   1.642   1.757
  152    HB3  LEU  49           HB3      LEU  49  -5.831   2.736   1.294
  153    HG   LEU  49           HG       LEU  49  -5.619   0.300   3.028
  154   HD11  LEU  49          HD11      LEU  49  -4.412   1.073   0.383
  155   HD12  LEU  49          HD12      LEU  49  -4.115  -0.435   1.249
  156   HD13  LEU  49          HD13      LEU  49  -5.729  -0.071   0.632
  157   HD21  LEU  49          HD21      LEU  49  -3.513   2.374   2.435
  158   HD22  LEU  49          HD22      LEU  49  -4.203   2.001   4.011
  159   HD23  LEU  49          HD23      LEU  49  -3.208   0.806   3.179
  160    H    LYS  50           HN       LYS  50  -8.142   4.081   1.668
  161    HA   LYS  50           HA       LYS  50  -6.471   6.016   0.605
  162    HB2  LYS  50           HB2      LYS  50  -9.484   6.153   0.598
  163    HB3  LYS  50           HB3      LYS  50  -8.372   6.795  -0.607
  164    HG2  LYS  50           HG2      LYS  50  -8.827   3.874  -0.002
  165    HG3  LYS  50           HG3      LYS  50  -9.458   4.755  -1.391
  166    HD2  LYS  50           HD2      LYS  50  -6.501   4.524  -0.827
  167    HD3  LYS  50           HD3      LYS  50  -7.375   3.330  -1.789
  168    HE2  LYS  50           HE2      LYS  50  -7.248   6.289  -2.379
  169    HE3  LYS  50           HE3      LYS  50  -6.243   5.062  -3.151
  170    HZ1  LYS  50           HZ1      LYS  50  -9.221   5.059  -3.250
  171    HZ2  LYS  50           HZ2      LYS  50  -8.163   4.070  -4.135
  172    HZ3  LYS  50           HZ3      LYS  50  -8.235   5.732  -4.457
  173    H    ALA  51           HN       ALA  51  -8.587   6.099   3.348
  174    HA   ALA  51           HA       ALA  51  -8.321   8.930   3.816
  175    HB1  ALA  51           HB1      ALA  51 -10.292   7.704   4.595
  176    HB2  ALA  51           HB2      ALA  51  -9.269   6.769   5.686
  177    HB3  ALA  51           HB3      ALA  51  -9.447   8.507   5.919
  178    H    THR  52           HN       THR  52  -6.735   5.977   4.974
  179    HA   THR  52           HA       THR  52  -5.537   7.272   7.225
  180    HB   THR  52           HB       THR  52  -6.167   4.828   7.112
  181    HG1  THR  52           HG1      THR  52  -4.206   4.219   8.305
  182   HG21  THR  52          HG21      THR  52  -4.486   3.277   6.188
  183   HG22  THR  52          HG22      THR  52  -3.589   4.652   5.538
  184   HG23  THR  52          HG23      THR  52  -5.203   4.289   4.929
  185    H    PHE  53           HN       PHE  53  -4.718   7.335   4.000
  186    HA   PHE  53           HA       PHE  53  -2.065   6.607   3.895
  187    HB2  PHE  53           HB2      PHE  53  -3.573   8.638   2.269
  188    HB3  PHE  53           HB3      PHE  53  -1.899   8.212   1.928
  189    HD1  PHE  53           HD2      PHE  53  -2.020   5.305   2.543
  190    HD2  PHE  53           HD1      PHE  53  -4.663   7.831   0.382
  191    HE1  PHE  53           HE2      PHE  53  -2.793   3.376   1.238
  192    HE2  PHE  53           HE1      PHE  53  -5.448   5.904  -0.923
  193    HZ   PHE  53           HZ       PHE  53  -4.459   3.683  -0.546
  194    H    SER  54           HN       SER  54  -3.393   9.622   5.043
  195    HA   SER  54           HA       SER  54  -1.070  11.193   4.844
  196    HB2  SER  54           HB2      SER  54  -3.367  11.416   6.808
  197    HB3  SER  54           HB3      SER  54  -2.205  12.689   6.431
  198    HG   SER  54           HG       SER  54  -2.967  12.343   4.157
  199    H    GLY  55           HN       GLY  55  -1.950   8.661   7.014
  200    HA2  GLY  55           HA1      GLY  55  -0.416   9.200   9.257
  201    HA3  GLY  55           HA2      GLY  55  -0.750   7.592   8.628
  202    H    PHE  56           HN       PHE  56   0.666   7.084   6.570
  203    HA   PHE  56           HA       PHE  56   3.371   7.284   7.547
  204    HB2  PHE  56           HB2      PHE  56   2.528   5.162   6.570
  205    HB3  PHE  56           HB3      PHE  56   2.392   5.967   5.009
  206    HD1  PHE  56           HD1      PHE  56   4.776   4.860   7.599
  207    HD2  PHE  56           HD2      PHE  56   4.267   6.276   3.620
  208    HE1  PHE  56           HE1      PHE  56   7.129   4.336   7.116
  209    HE2  PHE  56           HE2      PHE  56   6.621   5.763   3.131
  210    HZ   PHE  56           HZ       PHE  56   8.054   4.785   4.878
  211    H    THR  57           HN       THR  57   1.553   8.403   4.757
  212    HA   THR  57           HA       THR  57   3.622   9.384   3.189
  213    HB   THR  57           HB       THR  57   0.887  10.606   3.530
  214    HG1  THR  57           HG1      THR  57   0.663   9.314   1.442
  215   HG21  THR  57          HG21      THR  57   1.213  11.499   1.279
  216   HG22  THR  57          HG22      THR  57   2.838  10.817   1.235
  217   HG23  THR  57          HG23      THR  57   2.452  12.102   2.378
  218    H    LYS  58           HN       LYS  58   2.292  10.735   6.137
  219    HA   LYS  58           HA       LYS  58   3.453  13.360   5.631
  220    HB2  LYS  58           HB2      LYS  58   1.284  13.242   6.812
  221    HB3  LYS  58           HB3      LYS  58   2.062  12.362   8.121
  222    HG2  LYS  58           HG2      LYS  58   3.386  14.244   8.717
  223    HG3  LYS  58           HG3      LYS  58   2.909  15.115   7.261
  224    HD2  LYS  58           HD2      LYS  58   1.643  16.076   8.990
  225    HD3  LYS  58           HD3      LYS  58   0.528  14.996   8.159
  226    HE2  LYS  58           HE2      LYS  58   2.046  14.200  10.635
  227    HE3  LYS  58           HE3      LYS  58   0.462  14.969  10.692
  228    HZ1  LYS  58           HZ1      LYS  58   0.118  12.660  10.834
  229    HZ2  LYS  58           HZ2      LYS  58   1.157  12.330   9.538
  230    HZ3  LYS  58           HZ3      LYS  58  -0.334  13.096   9.255
  231    H    GLU  59           HN       GLU  59   4.082  10.447   7.466
  232    HA   GLU  59           HA       GLU  59   6.273  11.671   8.929
  233    HB2  GLU  59           HB2      GLU  59   6.012   9.975  10.368
  234    HB3  GLU  59           HB3      GLU  59   4.657   9.404   9.393
  235    HG2  GLU  59           HG2      GLU  59   6.017   7.911   8.195
  236    HG3  GLU  59           HG3      GLU  59   7.506   8.656   8.806
  237    H    GLN  60           HN       GLN  60   5.671   9.786   6.120
  238    HA   GLN  60           HA       GLN  60   8.161   8.798   5.441
  239    HB2  GLN  60           HB2      GLN  60   5.888   8.598   4.256
  240    HB3  GLN  60           HB3      GLN  60   6.268  10.140   3.514
  241    HG2  GLN  60           HG2      GLN  60   8.215   9.184   2.452
  242    HG3  GLN  60           HG3      GLN  60   7.911   7.637   3.255
  243   HE21  GLN  60          HE21      GLN  60   8.021   8.269   0.409
  244   HE22  GLN  60          HE22      GLN  60   6.497   7.778  -0.237
  245    H    GLN  61           HN       GLN  61   6.709  11.921   4.722
  246    HA   GLN  61           HA       GLN  61   8.964  13.143   3.551
  247    HB2  GLN  61           HB2      GLN  61   6.702  14.391   5.121
  248    HB3  GLN  61           HB3      GLN  61   7.792  15.252   4.034
  249    HG2  GLN  61           HG2      GLN  61   5.800  13.125   3.268
  250    HG3  GLN  61           HG3      GLN  61   5.684  14.852   2.936
  251   HE21  GLN  61          HE21      GLN  61   7.287  11.874   2.107
  252   HE22  GLN  61          HE22      GLN  61   7.998  12.430   0.634
  253    H    ARG  62           HN       ARG  62   7.841  12.845   6.855
  254    HA   ARG  62           HA       ARG  62   9.618  14.640   8.102
  255    HB2  ARG  62           HB2      ARG  62   7.534  13.795   9.106
  256    HB3  ARG  62           HB3      ARG  62   8.250  12.194   9.210
  257    HG2  ARG  62           HG2      ARG  62   8.277  13.272  11.365
  258    HG3  ARG  62           HG3      ARG  62   9.921  13.031  10.778
  259    HD2  ARG  62           HD2      ARG  62   8.476  15.628  10.361
  260    HD3  ARG  62           HD3      ARG  62   9.329  15.284  11.864
  261    HE   ARG  62           HE       ARG  62  11.225  14.776  10.057
  262   HH11  ARG  62          HH12      ARG  62   8.987  17.450  10.275
  263   HH12  ARG  62          HH11      ARG  62  10.114  18.617   9.649
  264   HH21  ARG  62          HH22      ARG  62  12.711  16.286   9.214
  265   HH22  ARG  62          HH21      ARG  62  12.241  17.952   9.035
  266    H    LEU  63           HN       LEU  63   9.748  11.144   7.608
  267    HA   LEU  63           HA       LEU  63  12.340  10.827   8.756
  268    HB2  LEU  63           HB2      LEU  63  10.745   9.013   6.974
  269    HB3  LEU  63           HB3      LEU  63  12.219   8.554   7.804
  270    HG   LEU  63           HG       LEU  63   9.654   9.382   9.158
  271   HD11  LEU  63          HD11      LEU  63   9.412   7.245   8.030
  272   HD12  LEU  63          HD12      LEU  63  10.893   6.659   8.787
  273   HD13  LEU  63          HD13      LEU  63   9.477   7.019   9.777
  274   HD21  LEU  63          HD21      LEU  63  10.738   8.595  11.197
  275   HD22  LEU  63          HD22      LEU  63  12.213   8.259  10.290
  276   HD23  LEU  63          HD23      LEU  63  11.647   9.919  10.465
  277    H    GLY  64           HN       GLY  64  11.596  12.536   6.254
  278    HA2  GLY  64           HA1      GLY  64  12.762  13.306   4.432
  279    HA3  GLY  64           HA2      GLY  64  14.160  12.443   5.067
  280    H    ILE  65           HN       ILE  65  11.341  10.580   4.601
  281    HA   ILE  65           HA       ILE  65  12.710   9.020   2.642
  282    HB   ILE  65           HB       ILE  65   9.906   8.671   3.708
  283   HG12  ILE  65          HG12      ILE  65  12.505   7.315   4.461
  284   HG13  ILE  65          HG13      ILE  65  11.540   8.373   5.484
  285   HG21  ILE  65          HG21      ILE  65  10.207   7.647   1.510
  286   HG22  ILE  65          HG22      ILE  65  11.633   6.788   2.094
  287   HG23  ILE  65          HG23      ILE  65  10.043   6.415   2.760
  288   HD11  ILE  65          HD11      ILE  65  11.206   6.065   6.111
  289   HD12  ILE  65          HD12      ILE  65   9.717   6.721   5.432
  290   HD13  ILE  65          HD13      ILE  65  10.735   5.653   4.460
  291    HA   PRO  66           HA       PRO  66  11.164  11.363  -0.879
  292    HB2  PRO  66           HB2      PRO  66  11.462   9.041  -2.481
  293    HB3  PRO  66           HB3      PRO  66  12.589  10.391  -2.349
  294    HG2  PRO  66           HG2      PRO  66  12.631   7.741  -1.032
  295    HG3  PRO  66           HG3      PRO  66  13.981   8.791  -1.495
  296    HD2  PRO  66           HD2      PRO  66  13.232   8.510   1.059
  297    HD3  PRO  66           HD3      PRO  66  13.805  10.070   0.428
  298    H    LYS  67           HN       LYS  67   9.090  11.593  -1.551
  299    HA   LYS  67           HA       LYS  67   7.049   9.912  -0.549
  300    HB2  LYS  67           HB2      LYS  67   5.517  11.277  -1.964
  301    HB3  LYS  67           HB3      LYS  67   6.576  12.234  -0.936
  302    HG2  LYS  67           HG2      LYS  67   7.973  12.806  -2.760
  303    HG3  LYS  67           HG3      LYS  67   7.165  11.650  -3.823
  304    HD2  LYS  67           HD2      LYS  67   6.428  13.907  -4.330
  305    HD3  LYS  67           HD3      LYS  67   5.096  12.972  -3.657
  306    HE2  LYS  67           HE2      LYS  67   6.795  14.731  -1.918
  307    HE3  LYS  67           HE3      LYS  67   5.450  15.392  -2.844
  308    HZ1  LYS  67           HZ1      LYS  67   4.786  14.839  -0.593
  309    HZ2  LYS  67           HZ2      LYS  67   5.249  13.227  -0.819
  310    HZ3  LYS  67           HZ3      LYS  67   3.952  13.864  -1.703
  311    H    ASP  68           HN       ASP  68   8.765   9.948  -3.562
  312    HA   ASP  68           HA       ASP  68   6.936   8.222  -4.971
  313    HB2  ASP  68           HB2      ASP  68   8.543   9.890  -6.029
  314    HB3  ASP  68           HB3      ASP  68   9.853   8.814  -5.559
  315    HA   PRO  69           HA       PRO  69   8.840   4.577  -3.242
  316    HB2  PRO  69           HB2      PRO  69   7.309   2.749  -4.361
  317    HB3  PRO  69           HB3      PRO  69   6.584   3.985  -3.325
  318    HG2  PRO  69           HG2      PRO  69   6.596   3.769  -6.303
  319    HG3  PRO  69           HG3      PRO  69   5.309   4.336  -5.225
  320    HD2  PRO  69           HD2      PRO  69   7.176   5.939  -6.623
  321    HD3  PRO  69           HD3      PRO  69   6.063   6.477  -5.348
  322    H    ARG  70           HN       ARG  70   9.662   5.581  -6.269
  323    HA   ARG  70           HA       ARG  70  10.706   2.993  -7.172
  324    HB2  ARG  70           HB2      ARG  70  10.323   5.632  -8.527
  325    HB3  ARG  70           HB3      ARG  70  11.442   4.455  -9.196
  326    HG2  ARG  70           HG2      ARG  70   9.431   4.123 -10.334
  327    HG3  ARG  70           HG3      ARG  70   9.520   2.813  -9.159
  328    HD2  ARG  70           HD2      ARG  70   7.279   3.671  -9.167
  329    HD3  ARG  70           HD3      ARG  70   8.055   4.155  -7.654
  330    HE   ARG  70           HE       ARG  70   8.058   6.359  -8.337
  331   HH11  ARG  70          HH12      ARG  70   6.897   4.306 -10.938
  332   HH12  ARG  70          HH11      ARG  70   6.340   5.637 -11.904
  333   HH21  ARG  70          HH22      ARG  70   7.306   8.087  -9.564
  334   HH22  ARG  70          HH21      ARG  70   6.563   7.803 -11.118
  335    H    GLN  71           HN       GLN  71  11.830   5.137  -5.107
  336    HA   GLN  71           HA       GLN  71  14.607   4.661  -5.926
  337    HB2  GLN  71           HB2      GLN  71  15.304   6.887  -5.643
  338    HB3  GLN  71           HB3      GLN  71  13.768   7.036  -6.488
  339    HG2  GLN  71           HG2      GLN  71  14.165   7.344  -3.526
  340    HG3  GLN  71           HG3      GLN  71  13.987   8.660  -4.690
  341   HE21  GLN  71          HE21      GLN  71  12.360   5.898  -3.229
  342   HE22  GLN  71          HE22      GLN  71  10.748   6.464  -3.523
  343    H    TRP  72           HN       TRP  72  12.584   3.764  -3.778
  344    HA   TRP  72           HA       TRP  72  13.593   4.668  -1.293
  345    HB2  TRP  72           HB2      TRP  72  11.661   2.614  -2.296
  346    HB3  TRP  72           HB3      TRP  72  12.224   2.481  -0.634
  347    HD1  TRP  72           HD1      TRP  72  12.117   6.019  -0.923
  348    HE1  TRP  72           HE1      TRP  72   9.830   6.970  -0.249
  349    HE3  TRP  72           HE3      TRP  72   9.377   1.735  -1.118
  350    HZ2  TRP  72           HZ2      TRP  72   7.191   6.014   0.153
  351    HZ3  TRP  72           HZ3      TRP  72   6.989   1.829  -0.576
  352    HH2  TRP  72           HH2      TRP  72   5.920   3.918   0.042
  353    H    THR  73           HN       THR  73  14.690   3.370   0.302
  354    HA   THR  73           HA       THR  73  16.363   1.256  -0.725
  355    HB   THR  73           HB       THR  73  17.266   1.207   1.589
  356    HG1  THR  73           HG1      THR  73  16.453   2.968   2.995
  357   HG21  THR  73          HG21      THR  73  18.167   2.812  -0.081
  358   HG22  THR  73          HG22      THR  73  18.303   3.398   1.578
  359   HG23  THR  73          HG23      THR  73  17.037   4.030   0.523
  360    H    GLU  74           HN       GLU  74  16.443  -0.829   0.610
  361    HA   GLU  74           HA       GLU  74  14.013  -2.157   0.709
  362    HB2  GLU  74           HB2      GLU  74  16.447  -2.718   2.423
  363    HB3  GLU  74           HB3      GLU  74  15.132  -3.842   2.114
  364    HG2  GLU  74           HG2      GLU  74  16.825  -4.537   0.686
  365    HG3  GLU  74           HG3      GLU  74  15.750  -3.605  -0.354
  366    H    THR  75           HN       THR  75  15.569  -0.143   3.094
  367    HA   THR  75           HA       THR  75  13.944  -0.837   5.310
  368    HB   THR  75           HB       THR  75  15.412   1.765   4.861
  369    HG1  THR  75           HG1      THR  75  16.393  -0.632   6.073
  370   HG21  THR  75          HG21      THR  75  14.607   0.296   7.379
  371   HG22  THR  75          HG22      THR  75  13.896   1.792   6.772
  372   HG23  THR  75          HG23      THR  75  15.572   1.771   7.322
  373    H    HIS  76           HN       HIS  76  13.727   1.602   2.757
  374    HA   HIS  76           HA       HIS  76  11.615   3.080   4.039
  375    HB2  HIS  76           HB2      HIS  76  12.784   3.185   1.260
  376    HB3  HIS  76           HB3      HIS  76  11.465   4.225   1.790
  377    HD1  HIS  76           HD1      HIS  76  14.260   5.318   0.901
  378    HD2  HIS  76           HD2      HIS  76  13.062   4.675   4.827
  379    HE1  HIS  76           HE1      HIS  76  15.681   6.843   2.283
  380    HE2  HIS  76           HE2      HIS  76  15.027   6.363   4.682
  381    H    VAL  77           HN       VAL  77  11.869   0.699   1.451
  382    HA   VAL  77           HA       VAL  77   9.195   0.739   0.643
  383    HB   VAL  77           HB       VAL  77  11.300  -1.422   0.437
  384   HG11  VAL  77          HG11      VAL  77   8.569  -1.345  -0.838
  385   HG12  VAL  77          HG12      VAL  77   9.831  -2.531  -1.171
  386   HG13  VAL  77          HG13      VAL  77   9.091  -2.457   0.429
  387   HG21  VAL  77          HG21      VAL  77  11.369  -0.744  -1.934
  388   HG22  VAL  77          HG22      VAL  77  10.160   0.499  -1.609
  389   HG23  VAL  77          HG23      VAL  77  11.754   0.607  -0.866
  390    H    ARG  78           HN       ARG  78  10.929  -1.481   2.862
  391    HA   ARG  78           HA       ARG  78   8.673  -2.963   3.634
  392    HB2  ARG  78           HB2      ARG  78  11.277  -2.438   5.041
  393    HB3  ARG  78           HB3      ARG  78  10.036  -3.478   5.721
  394    HG2  ARG  78           HG2      ARG  78  10.175  -4.882   3.679
  395    HG3  ARG  78           HG3      ARG  78  11.529  -3.882   3.143
  396    HD2  ARG  78           HD2      ARG  78  11.410  -5.438   5.720
  397    HD3  ARG  78           HD3      ARG  78  12.278  -5.939   4.267
  398    HE   ARG  78           HE       ARG  78  12.968  -3.366   5.492
  399   HH11  ARG  78          HH12      ARG  78  13.815  -6.727   4.929
  400   HH12  ARG  78          HH11      ARG  78  15.497  -6.487   5.302
  401   HH21  ARG  78          HH22      ARG  78  15.174  -3.076   5.999
  402   HH22  ARG  78          HH21      ARG  78  16.259  -4.427   5.911
  403    H    ASP  79           HN       ASP  79   9.903   0.098   4.809
  404    HA   ASP  79           HA       ASP  79   8.510   0.252   7.244
  405    HB2  ASP  79           HB2      ASP  79  10.304   1.845   6.089
  406    HB3  ASP  79           HB3      ASP  79   8.853   2.701   5.561
  407    H    TRP  80           HN       TRP  80   7.685   1.343   3.985
  408    HA   TRP  80           HA       TRP  80   5.096   2.317   4.703
  409    HB2  TRP  80           HB2      TRP  80   5.955   3.400   2.857
  410    HB3  TRP  80           HB3      TRP  80   6.766   1.956   2.262
  411    HD1  TRP  80           HD1      TRP  80   3.364   3.720   2.160
  412    HE1  TRP  80           HE1      TRP  80   2.070   2.750   0.158
  413    HE3  TRP  80           HE3      TRP  80   6.512  -0.096   0.895
  414    HZ2  TRP  80           HZ2      TRP  80   2.342   0.666  -1.719
  415    HZ3  TRP  80           HZ3      TRP  80   5.926  -1.535  -1.001
  416    HH2  TRP  80           HH2      TRP  80   3.877  -1.168  -2.275
  417    H    VAL  81           HN       VAL  81   6.539  -0.613   3.663
  418    HA   VAL  81           HA       VAL  81   4.323  -1.988   2.616
  419    HB   VAL  81           HB       VAL  81   7.045  -2.697   3.588
  420   HG11  VAL  81          HG11      VAL  81   5.745  -4.428   4.677
  421   HG12  VAL  81          HG12      VAL  81   4.939  -4.802   3.154
  422   HG13  VAL  81          HG13      VAL  81   6.671  -5.091   3.329
  423   HG21  VAL  81          HG21      VAL  81   6.700  -2.082   1.277
  424   HG22  VAL  81          HG22      VAL  81   7.163  -3.782   1.383
  425   HG23  VAL  81          HG23      VAL  81   5.478  -3.343   1.098
  426    H    MET  82           HN       MET  82   5.891  -2.272   5.788
  427    HA   MET  82           HA       MET  82   3.720  -3.745   6.870
  428    HB2  MET  82           HB2      MET  82   4.809  -3.571   8.999
  429    HB3  MET  82           HB3      MET  82   5.995  -3.931   7.755
  430    HG2  MET  82           HG2      MET  82   6.595  -1.526   7.701
  431    HG3  MET  82           HG3      MET  82   5.506  -1.271   9.065
  432    HE1  MET  82           HE1      MET  82   5.824  -2.699  11.405
  433    HE2  MET  82           HE2      MET  82   6.077  -4.190  10.494
  434    HE3  MET  82           HE3      MET  82   7.246  -3.696  11.720
  435    H    TRP  83           HN       TRP  83   4.067  -0.359   6.313
  436    HA   TRP  83           HA       TRP  83   2.532   0.483   8.570
  437    HB2  TRP  83           HB2      TRP  83   3.902   2.127   7.406
  438    HB3  TRP  83           HB3      TRP  83   3.004   1.876   5.911
  439    HD1  TRP  83           HD1      TRP  83   2.667   3.516   9.357
  440    HE1  TRP  83           HE1      TRP  83   0.709   5.177   9.270
  441    HE3  TRP  83           HE3      TRP  83   0.856   2.397   4.719
  442    HZ2  TRP  83           HZ2      TRP  83  -1.328   5.923   7.468
  443    HZ3  TRP  83           HZ3      TRP  83  -1.092   3.631   3.884
  444    HH2  TRP  83           HH2      TRP  83  -2.160   5.357   5.230
  445    H    ALA  84           HN       ALA  84   1.526   0.194   5.118
  446    HA   ALA  84           HA       ALA  84  -1.203   0.632   5.683
  447    HB1  ALA  84           HB1      ALA  84  -0.015  -1.000   3.432
  448    HB2  ALA  84           HB2      ALA  84  -1.671  -0.394   3.508
  449    HB3  ALA  84           HB3      ALA  84  -0.320   0.736   3.400
  450    H    VAL  85           HN       VAL  85   0.803  -2.187   5.621
  451    HA   VAL  85           HA       VAL  85  -1.039  -4.192   6.164
  452    HB   VAL  85           HB       VAL  85   1.891  -3.800   6.559
  453   HG11  VAL  85          HG11      VAL  85   0.435  -6.195   7.672
  454   HG12  VAL  85          HG12      VAL  85   2.181  -6.015   7.535
  455   HG13  VAL  85          HG13      VAL  85   1.267  -4.966   8.617
  456   HG21  VAL  85          HG21      VAL  85   1.051  -4.467   4.410
  457   HG22  VAL  85          HG22      VAL  85   1.982  -5.785   5.122
  458   HG23  VAL  85          HG23      VAL  85   0.219  -5.847   5.128
  459    H    ASN  86           HN       ASN  86   0.824  -2.205   8.525
  460    HA   ASN  86           HA       ASN  86  -0.302  -3.638  10.691
  461    HB2  ASN  86           HB2      ASN  86   1.114  -2.538  12.058
  462    HB3  ASN  86           HB3      ASN  86   1.922  -2.263  10.527
  463   HD21  ASN  86          HD21      ASN  86   0.083  -0.223   9.621
  464   HD22  ASN  86          HD22      ASN  86   0.411   1.185  10.596
  465    H    GLU  87           HN       GLU  87  -1.471  -1.008   8.862
  466    HA   GLU  87           HA       GLU  87  -3.126   0.126  10.940
  467    HB2  GLU  87           HB2      GLU  87  -2.342   1.513   9.056
  468    HB3  GLU  87           HB3      GLU  87  -3.172   0.458   7.923
  469    HG2  GLU  87           HG2      GLU  87  -4.430   2.484   8.265
  470    HG3  GLU  87           HG3      GLU  87  -5.318   1.101   8.899
  471    H    PHE  88           HN       PHE  88  -3.379  -1.996   8.192
  472    HA   PHE  88           HA       PHE  88  -6.143  -2.674   8.585
  473    HB2  PHE  88           HB2      PHE  88  -3.926  -3.412   6.750
  474    HB3  PHE  88           HB3      PHE  88  -5.256  -4.567   6.930
  475    HD1  PHE  88           HD1      PHE  88  -7.538  -3.954   6.315
  476    HD2  PHE  88           HD2      PHE  88  -4.266  -1.322   5.649
  477    HE1  PHE  88           HE1      PHE  88  -8.924  -2.625   4.777
  478    HE2  PHE  88           HE2      PHE  88  -5.643   0.004   4.111
  479    HZ   PHE  88           HZ       PHE  88  -7.974  -0.643   3.676
  480    H    SER  89           HN       SER  89  -3.586  -3.332  10.415
  481    HA   SER  89           HA       SER  89  -2.744  -4.985  11.696
  482    HB2  SER  89           HB2      SER  89  -4.421  -6.290  12.969
  483    HB3  SER  89           HB3      SER  89  -4.808  -4.573  12.912
  484    HG   SER  89           HG       SER  89  -5.996  -5.678  10.839
  485    H    LEU  90           HN       LEU  90  -2.398  -5.581   9.033
  486    HA   LEU  90           HA       LEU  90  -3.369  -8.202   8.383
  487    HB2  LEU  90           HB2      LEU  90  -1.010  -6.726   7.188
  488    HB3  LEU  90           HB3      LEU  90  -1.971  -7.986   6.428
  489    HG   LEU  90           HG       LEU  90  -2.951  -5.207   7.140
  490   HD11  LEU  90          HD11      LEU  90  -1.390  -5.214   5.270
  491   HD12  LEU  90          HD12      LEU  90  -2.346  -6.452   4.457
  492   HD13  LEU  90          HD13      LEU  90  -3.030  -4.851   4.733
  493   HD21  LEU  90          HD21      LEU  90  -4.322  -7.476   5.666
  494   HD22  LEU  90          HD22      LEU  90  -4.710  -6.919   7.294
  495   HD23  LEU  90          HD23      LEU  90  -4.972  -5.855   5.911
  496    H    LYS  91           HN       LYS  91  -0.263  -6.815   9.295
  497    HA   LYS  91           HA       LYS  91   1.534  -7.594  10.442
  498    HB2  LYS  91           HB2      LYS  91  -0.532  -9.158  11.976
  499    HB3  LYS  91           HB3      LYS  91   0.984  -8.497  12.576
  500    HG2  LYS  91           HG2      LYS  91  -1.288  -6.814  11.552
  501    HG3  LYS  91           HG3      LYS  91  -1.055  -7.231  13.252
  502    HD2  LYS  91           HD2      LYS  91   1.194  -5.990  11.734
  503    HD3  LYS  91           HD3      LYS  91  -0.142  -4.971  12.279
  504    HE2  LYS  91           HE2      LYS  91   1.537  -6.765  14.032
  505    HE3  LYS  91           HE3      LYS  91   1.692  -5.012  13.900
  506    HZ1  LYS  91           HZ1      LYS  91  -0.660  -4.866  14.648
  507    HZ2  LYS  91           HZ2      LYS  91   0.401  -5.477  15.818
  508    HZ3  LYS  91           HZ3      LYS  91  -0.625  -6.530  14.973
  509    H    GLY  92           HN       GLY  92   0.715  -9.387   8.115
  510    HA2  GLY  92           HA1      GLY  92   2.245 -11.712   9.032
  511    HA3  GLY  92           HA2      GLY  92   0.737 -11.933   8.146
  512    H    VAL  93           HN       VAL  93   3.259  -9.533   7.727
  513    HA   VAL  93           HA       VAL  93   3.413 -10.198   4.895
  514    HB   VAL  93           HB       VAL  93   3.671  -7.742   6.440
  515   HG11  VAL  93          HG11      VAL  93   5.439  -6.718   5.083
  516   HG12  VAL  93          HG12      VAL  93   6.069  -8.038   6.070
  517   HG13  VAL  93          HG13      VAL  93   5.776  -8.285   4.348
  518   HG21  VAL  93          HG21      VAL  93   3.076  -6.757   4.325
  519   HG22  VAL  93          HG22      VAL  93   3.473  -8.260   3.483
  520   HG23  VAL  93          HG23      VAL  93   2.095  -8.203   4.592
  521    H    ASP  94           HN       ASP  94   5.136 -11.170   4.029
  522    HA   ASP  94           HA       ASP  94   7.344 -11.850   5.794
  523    HB2  ASP  94           HB2      ASP  94   6.395 -13.519   4.159
  524    HB3  ASP  94           HB3      ASP  94   7.040 -12.522   2.856
  525    H    PHE  95           HN       PHE  95   8.721 -10.270   6.138
  526    HA   PHE  95           HA       PHE  95   8.859  -7.968   4.499
  527    HB2  PHE  95           HB2      PHE  95  10.619  -8.905   6.778
  528    HB3  PHE  95           HB3      PHE  95  10.809  -7.345   5.988
  529    HD1  PHE  95           HD2      PHE  95   8.550  -9.405   8.036
  530    HD2  PHE  95           HD1      PHE  95   9.390  -5.524   6.514
  531    HE1  PHE  95           HE2      PHE  95   6.874  -8.448   9.557
  532    HE2  PHE  95           HE1      PHE  95   7.716  -4.557   8.033
  533    HZ   PHE  95           HZ       PHE  95   6.481  -5.993   9.570
  534    H    GLN  96           HN       GLN  96  10.400 -10.970   4.438
  535    HA   GLN  96           HA       GLN  96  12.777 -10.126   3.049
  536    HB2  GLN  96           HB2      GLN  96  12.653 -12.128   4.563
  537    HB3  GLN  96           HB3      GLN  96  11.647 -12.902   3.340
  538    HG2  GLN  96           HG2      GLN  96  14.032 -13.571   3.292
  539    HG3  GLN  96           HG3      GLN  96  13.412 -12.933   1.772
  540   HE21  GLN  96          HE21      GLN  96  14.248 -10.909   4.508
  541   HE22  GLN  96          HE22      GLN  96  15.613 -10.148   3.761
  542    H    LYS  97           HN       LYS  97   9.639 -11.531   2.244
  543    HA   LYS  97           HA       LYS  97  10.257 -11.840  -0.524
  544    HB2  LYS  97           HB2      LYS  97   8.243 -12.790   1.019
  545    HB3  LYS  97           HB3      LYS  97   7.433 -11.399   0.310
  546    HG2  LYS  97           HG2      LYS  97   8.777 -13.578  -1.281
  547    HG3  LYS  97           HG3      LYS  97   7.053 -13.516  -0.915
  548    HD2  LYS  97           HD2      LYS  97   6.922 -11.337  -2.066
  549    HD3  LYS  97           HD3      LYS  97   8.626 -11.486  -2.494
  550    HE2  LYS  97           HE2      LYS  97   6.490 -13.459  -3.280
  551    HE3  LYS  97           HE3      LYS  97   7.056 -12.147  -4.309
  552    HZ1  LYS  97           HZ1      LYS  97   8.743 -14.356  -3.264
  553    HZ2  LYS  97           HZ2      LYS  97   9.259 -13.111  -4.290
  554    HZ3  LYS  97           HZ3      LYS  97   8.128 -14.249  -4.839
  555    H    PHE  98           HN       PHE  98   9.228  -9.373   1.610
  556    HA   PHE  98           HA       PHE  98   8.489  -7.486  -0.459
  557    HB2  PHE  98           HB2      PHE  98   8.476  -7.509   2.523
  558    HB3  PHE  98           HB3      PHE  98   8.460  -5.960   1.684
  559    HD1  PHE  98           HD1      PHE  98   6.543  -5.321   0.291
  560    HD2  PHE  98           HD2      PHE  98   6.626  -8.975   2.464
  561    HE1  PHE  98           HE1      PHE  98   4.114  -5.548   0.012
  562    HE2  PHE  98           HE2      PHE  98   4.205  -9.219   2.170
  563    HZ   PHE  98           HZ       PHE  98   2.950  -7.411   0.845
  564    H    CYS  99           HN       CYS  99  11.274  -8.634  -0.118
  565    HA   CYS  99           HA       CYS  99  12.909  -6.442   0.754
  566    HB2  CYS  99           HB2      CYS  99  13.510  -8.929   0.842
  567    HB3  CYS  99           HB3      CYS  99  13.793  -8.804  -0.892
  568    HG   CYS  99           HG       CYS  99  15.992  -7.301  -0.798
  569    H    MET 100           HN       MET 100  11.954  -4.836  -0.643
  570    HA   MET 100           HA       MET 100  13.195  -4.904  -3.302
  571    HB2  MET 100           HB2      MET 100  10.560  -3.713  -2.463
  572    HB3  MET 100           HB3      MET 100  11.401  -3.159  -3.902
  573    HG2  MET 100           HG2      MET 100   9.947  -4.675  -4.781
  574    HG3  MET 100           HG3      MET 100  11.391  -5.672  -4.541
  575    HE1  MET 100           HE1      MET 100   9.021  -4.388  -1.687
  576    HE2  MET 100           HE2      MET 100   7.910  -4.650  -3.031
  577    HE3  MET 100           HE3      MET 100   7.831  -5.687  -1.606
  578    H    SER 101           HN       SER 101  14.528  -3.287  -3.766
  579    HA   SER 101           HA       SER 101  14.594  -0.891  -2.154
  580    HB2  SER 101           HB2      SER 101  15.809  -1.337  -4.902
  581    HB3  SER 101           HB3      SER 101  16.282  -0.130  -3.707
  582    HG   SER 101           HG       SER 101  16.941  -1.890  -2.337
  583    H    GLY 102           HN       GLY 102  13.892   1.211  -3.230
  584    HA2  GLY 102           HA1      GLY 102  11.269   1.130  -3.962
  585    HA3  GLY 102           HA2      GLY 102  12.342   2.444  -4.382
  586    H    ALA 103           HN       ALA 103  14.000   1.296  -6.281
  587    HA   ALA 103           HA       ALA 103  12.368   1.410  -8.563
  588    HB1  ALA 103           HB1      ALA 103  14.736   1.931  -8.665
  589    HB2  ALA 103           HB2      ALA 103  15.139   0.256  -8.287
  590    HB3  ALA 103           HB3      ALA 103  14.342   0.649  -9.809
  591    H    ALA 104           HN       ALA 104  13.559  -1.268  -6.663
  592    HA   ALA 104           HA       ALA 104  12.538  -3.334  -8.335
  593    HB1  ALA 104           HB1      ALA 104  14.317  -3.728  -6.679
  594    HB2  ALA 104           HB2      ALA 104  13.166  -3.401  -5.381
  595    HB3  ALA 104           HB3      ALA 104  12.938  -4.803  -6.432
  596    H    LEU 105           HN       LEU 105  11.329  -1.751  -5.325
  597    HA   LEU 105           HA       LEU 105   8.955  -2.881  -4.965
  598    HB2  LEU 105           HB2      LEU 105   9.803  -1.027  -3.607
  599    HB3  LEU 105           HB3      LEU 105   9.518   0.096  -4.934
  600    HG   LEU 105           HG       LEU 105   7.105  -0.491  -4.827
  601   HD11  LEU 105          HD11      LEU 105   8.010  -2.013  -2.400
  602   HD12  LEU 105          HD12      LEU 105   6.335  -1.524  -2.675
  603   HD13  LEU 105          HD13      LEU 105   7.129  -2.623  -3.807
  604   HD21  LEU 105          HD21      LEU 105   8.195   0.581  -2.243
  605   HD22  LEU 105          HD22      LEU 105   8.047   1.507  -3.740
  606   HD23  LEU 105          HD23      LEU 105   6.602   0.880  -2.947
  607    H    CYS 106           HN       CYS 106   9.502  -0.241  -7.169
  608    HA   CYS 106           HA       CYS 106   6.983  -0.326  -8.358
  609    HB2  CYS 106           HB2      CYS 106   8.395   1.598  -8.501
  610    HB3  CYS 106           HB3      CYS 106   9.624   0.678  -9.365
  611    HG   CYS 106           HG       CYS 106   8.129   0.391 -11.701
  612    H    ALA 107           HN       ALA 107  10.083  -1.622  -9.568
  613    HA   ALA 107           HA       ALA 107   9.202  -2.474 -12.022
  614    HB1  ALA 107           HB1      ALA 107  11.206  -3.804 -12.130
  615    HB2  ALA 107           HB2      ALA 107  11.541  -2.255 -11.355
  616    HB3  ALA 107           HB3      ALA 107  11.390  -3.715 -10.378
  617    H    LEU 108           HN       LEU 108   8.556  -4.079  -8.978
  618    HA   LEU 108           HA       LEU 108   8.141  -6.636 -10.020
  619    HB2  LEU 108           HB2      LEU 108   6.408  -6.831  -8.092
  620    HB3  LEU 108           HB3      LEU 108   8.112  -6.703  -7.735
  621    HG   LEU 108           HG       LEU 108   7.733  -4.240  -7.280
  622   HD11  LEU 108          HD11      LEU 108   4.831  -5.078  -7.445
  623   HD12  LEU 108          HD12      LEU 108   5.414  -3.589  -6.682
  624   HD13  LEU 108          HD13      LEU 108   5.644  -3.845  -8.413
  625   HD21  LEU 108          HD21      LEU 108   6.290  -6.264  -5.583
  626   HD22  LEU 108          HD22      LEU 108   8.014  -5.899  -5.535
  627   HD23  LEU 108          HD23      LEU 108   6.840  -4.675  -5.055
  628    H    GLY 109           HN       GLY 109   5.988  -3.840  -9.986
  629    HA2  GLY 109           HA1      GLY 109   4.082  -3.474 -11.259
  630    HA3  GLY 109           HA2      GLY 109   4.328  -5.050 -12.006
  631    H    LYS 110           HN       LYS 110   1.821  -4.007 -11.119
  632    HA   LYS 110           HA       LYS 110   0.906  -4.709  -8.655
  633    HB2  LYS 110           HB2      LYS 110  -0.425  -3.738 -10.574
  634    HB3  LYS 110           HB3      LYS 110  -0.683  -5.400 -11.097
  635    HG2  LYS 110           HG2      LYS 110  -1.242  -5.234  -8.316
  636    HG3  LYS 110           HG3      LYS 110  -2.095  -3.931  -9.138
  637    HD2  LYS 110           HD2      LYS 110  -3.551  -5.767  -9.089
  638    HD3  LYS 110           HD3      LYS 110  -2.953  -5.649 -10.741
  639    HE2  LYS 110           HE2      LYS 110  -1.302  -7.452 -10.218
  640    HE3  LYS 110           HE3      LYS 110  -2.038  -7.626  -8.622
  641    HZ1  LYS 110           HZ1      LYS 110  -4.093  -8.283  -9.640
  642    HZ2  LYS 110           HZ2      LYS 110  -2.849  -9.248 -10.264
  643    HZ3  LYS 110           HZ3      LYS 110  -3.488  -7.987 -11.196
  644    H    GLU 111           HN       GLU 111   1.006  -6.962 -11.431
  645    HA   GLU 111           HA       GLU 111  -0.101  -9.148 -10.186
  646    HB2  GLU 111           HB2      GLU 111   1.369 -10.540 -11.752
  647    HB3  GLU 111           HB3      GLU 111   0.254  -9.393 -12.478
  648    HG2  GLU 111           HG2      GLU 111   3.006  -8.449 -11.945
  649    HG3  GLU 111           HG3      GLU 111   2.786  -9.630 -13.238
  650    H    CYS 112           HN       CYS 112   3.375  -8.469 -10.403
  651    HA   CYS 112           HA       CYS 112   4.152 -10.653  -8.838
  652    HB2  CYS 112           HB2      CYS 112   5.628  -8.059  -9.291
  653    HB3  CYS 112           HB3      CYS 112   6.333  -9.539  -8.647
  654    HG   CYS 112           HG       CYS 112   5.974  -8.611 -11.764
  655    H    PHE 113           HN       PHE 113   3.686  -7.211  -7.888
  656    HA   PHE 113           HA       PHE 113   4.305  -7.492  -5.229
  657    HB2  PHE 113           HB2      PHE 113   3.589  -5.373  -6.556
  658    HB3  PHE 113           HB3      PHE 113   1.963  -5.789  -6.025
  659    HD1  PHE 113           HD2      PHE 113   1.634  -6.173  -3.511
  660    HD2  PHE 113           HD1      PHE 113   4.992  -4.120  -5.157
  661    HE1  PHE 113           HE2      PHE 113   2.090  -5.171  -1.323
  662    HE2  PHE 113           HE1      PHE 113   5.450  -3.135  -2.961
  663    HZ   PHE 113           HZ       PHE 113   4.012  -3.666  -1.040
  664    H    LEU 114           HN       LEU 114   1.103  -8.099  -6.708
  665    HA   LEU 114           HA       LEU 114   0.027  -8.790  -4.121
  666    HB2  LEU 114           HB2      LEU 114  -1.351  -9.541  -6.658
  667    HB3  LEU 114           HB3      LEU 114  -2.034  -9.068  -5.112
  668    HG   LEU 114           HG       LEU 114  -0.966  -7.353  -7.312
  669   HD11  LEU 114          HD11      LEU 114  -3.021  -6.098  -6.841
  670   HD12  LEU 114          HD12      LEU 114  -3.343  -7.787  -7.234
  671   HD13  LEU 114          HD13      LEU 114  -3.411  -7.245  -5.557
  672   HD21  LEU 114          HD21      LEU 114  -0.841  -5.432  -5.903
  673   HD22  LEU 114          HD22      LEU 114  -1.328  -6.377  -4.495
  674   HD23  LEU 114          HD23      LEU 114   0.232  -6.677  -5.256
  675    H    GLU 115           HN       GLU 115   1.614 -10.424  -6.674
  676    HA   GLU 115           HA       GLU 115   1.075 -13.045  -5.706
  677    HB2  GLU 115           HB2      GLU 115   3.186 -11.884  -7.505
  678    HB3  GLU 115           HB3      GLU 115   3.236 -13.569  -7.011
  679    HG2  GLU 115           HG2      GLU 115   0.875 -12.328  -8.391
  680    HG3  GLU 115           HG3      GLU 115   2.201 -13.119  -9.247
  681    H    LEU 116           HN       LEU 116   2.850 -10.443  -4.656
  682    HA   LEU 116           HA       LEU 116   5.080 -11.896  -3.496
  683    HB2  LEU 116           HB2      LEU 116   5.964 -10.033  -4.414
  684    HB3  LEU 116           HB3      LEU 116   4.453  -9.152  -4.332
  685    HG   LEU 116           HG       LEU 116   5.855  -9.523  -1.764
  686   HD11  LEU 116          HD11      LEU 116   7.403  -7.685  -2.235
  687   HD12  LEU 116          HD12      LEU 116   7.743  -9.098  -3.236
  688   HD13  LEU 116          HD13      LEU 116   6.900  -7.713  -3.925
  689   HD21  LEU 116          HD21      LEU 116   5.132  -7.234  -1.456
  690   HD22  LEU 116          HD22      LEU 116   4.585  -7.173  -3.131
  691   HD23  LEU 116          HD23      LEU 116   3.788  -8.248  -1.983
  692    H    ALA 117           HN       ALA 117   2.128 -10.367  -2.576
  693    HA   ALA 117           HA       ALA 117   2.594 -11.268   0.195
  694    HB1  ALA 117           HB1      ALA 117   2.692  -8.844   0.191
  695    HB2  ALA 117           HB2      ALA 117   1.156  -8.757  -0.674
  696    HB3  ALA 117           HB3      ALA 117   1.205  -9.375   0.979
  697    HA   PRO 118           HA       PRO 118  -1.654 -13.035   0.038
  698    HB2  PRO 118           HB2      PRO 118  -2.480 -10.781   1.811
  699    HB3  PRO 118           HB3      PRO 118  -2.860 -12.502   1.937
  700    HG2  PRO 118           HG2      PRO 118  -1.026 -11.394   3.525
  701    HG3  PRO 118           HG3      PRO 118  -0.802 -13.025   2.868
  702    HD2  PRO 118           HD2      PRO 118   0.523 -10.477   2.104
  703    HD3  PRO 118           HD3      PRO 118   1.143 -12.140   2.048
  704    H    ASP 119           HN       ASP 119  -3.272 -12.640  -1.376
  705    HA   ASP 119           HA       ASP 119  -2.943 -10.652  -3.260
  706    HB2  ASP 119           HB2      ASP 119  -5.044 -11.368  -4.247
  707    HB3  ASP 119           HB3      ASP 119  -4.095 -12.755  -3.726
  708    H    PHE 120           HN       PHE 120  -4.626 -10.287  -0.238
  709    HA   PHE 120           HA       PHE 120  -6.055  -7.960  -1.244
  710    HB2  PHE 120           HB2      PHE 120  -7.226  -9.454   0.363
  711    HB3  PHE 120           HB3      PHE 120  -5.988  -9.072   1.558
  712    HD1  PHE 120           HD1      PHE 120  -7.224  -6.540  -0.751
  713    HD2  PHE 120           HD2      PHE 120  -7.600  -8.207   3.149
  714    HE1  PHE 120           HE1      PHE 120  -8.541  -4.587  -0.042
  715    HE2  PHE 120           HE2      PHE 120  -8.921  -6.261   3.860
  716    HZ   PHE 120           HZ       PHE 120  -9.311  -4.419   2.327
  717    H    VAL 121           HN       VAL 121  -3.405  -8.927   0.729
  718    HA   VAL 121           HA       VAL 121  -2.910  -6.379   1.894
  719    HB   VAL 121           HB       VAL 121  -1.249  -8.887   1.767
  720   HG11  VAL 121          HG11      VAL 121  -0.061  -7.913   3.711
  721   HG12  VAL 121          HG12      VAL 121   0.180  -6.995   2.223
  722   HG13  VAL 121          HG13      VAL 121  -0.940  -6.403   3.450
  723   HG21  VAL 121          HG21      VAL 121  -2.984  -7.797   3.965
  724   HG22  VAL 121          HG22      VAL 121  -3.508  -9.014   2.796
  725   HG23  VAL 121          HG23      VAL 121  -2.182  -9.370   3.915
  726    H    GLY 122           HN       GLY 122  -1.388  -8.331  -0.661
  727    HA2  GLY 122           HA1      GLY 122   0.575  -6.485  -1.400
  728    HA3  GLY 122           HA2      GLY 122  -0.185  -7.657  -2.475
  729    H    ASP 123           HN       ASP 123  -2.837  -6.753  -2.289
  730    HA   ASP 123           HA       ASP 123  -2.855  -4.738  -4.256
  731    HB2  ASP 123           HB2      ASP 123  -4.491  -6.699  -3.785
  732    HB3  ASP 123           HB3      ASP 123  -5.216  -5.620  -2.604
  733    H    ILE 124           HN       ILE 124  -3.880  -4.863  -0.866
  734    HA   ILE 124           HA       ILE 124  -4.500  -2.240  -0.368
  735    HB   ILE 124           HB       ILE 124  -3.355  -4.452   1.259
  736   HG12  ILE 124          HG12      ILE 124  -5.777  -2.680   1.648
  737   HG13  ILE 124          HG13      ILE 124  -5.780  -4.210   0.772
  738   HG21  ILE 124          HG21      ILE 124  -3.633  -1.632   2.331
  739   HG22  ILE 124          HG22      ILE 124  -3.271  -3.075   3.282
  740   HG23  ILE 124          HG23      ILE 124  -2.114  -2.495   2.084
  741   HD11  ILE 124          HD11      ILE 124  -5.205  -5.415   2.776
  742   HD12  ILE 124          HD12      ILE 124  -5.036  -3.897   3.671
  743   HD13  ILE 124          HD13      ILE 124  -6.617  -4.400   3.078
  744    H    LEU 125           HN       LEU 125  -1.298  -3.687   0.137
  745    HA   LEU 125           HA       LEU 125   0.065  -1.294   0.502
  746    HB2  LEU 125           HB2      LEU 125   0.754  -4.093  -0.144
  747    HB3  LEU 125           HB3      LEU 125   1.983  -2.884  -0.499
  748    HG   LEU 125           HG       LEU 125   0.642  -3.136   2.176
  749   HD11  LEU 125          HD11      LEU 125   3.263  -4.292   1.235
  750   HD12  LEU 125          HD12      LEU 125   2.716  -4.236   2.913
  751   HD13  LEU 125          HD13      LEU 125   1.830  -5.196   1.727
  752   HD21  LEU 125          HD21      LEU 125   2.564  -1.787   2.893
  753   HD22  LEU 125          HD22      LEU 125   3.123  -1.715   1.220
  754   HD23  LEU 125          HD23      LEU 125   1.593  -0.961   1.674
  755    H    TRP 126           HN       TRP 126  -0.670  -3.094  -2.429
  756    HA   TRP 126           HA       TRP 126   0.933  -1.586  -4.175
  757    HB2  TRP 126           HB2      TRP 126   0.120  -3.653  -5.009
  758    HB3  TRP 126           HB3      TRP 126  -1.555  -3.233  -4.635
  759    HD1  TRP 126           HD1      TRP 126  -2.913  -2.003  -6.429
  760    HE1  TRP 126           HE1      TRP 126  -2.347  -1.003  -8.764
  761    HE3  TRP 126           HE3      TRP 126   2.164  -2.619  -6.401
  762    HZ2  TRP 126           HZ2      TRP 126  -0.047  -0.580 -10.359
  763    HZ3  TRP 126           HZ3      TRP 126   3.467  -1.901  -8.358
  764    HH2  TRP 126           HH2      TRP 126   2.379  -0.906 -10.301
  765    H    GLU 127           HN       GLU 127  -2.448  -1.201  -3.151
  766    HA   GLU 127           HA       GLU 127  -3.102   1.003  -4.681
  767    HB2  GLU 127           HB2      GLU 127  -4.111  -0.231  -2.285
  768    HB3  GLU 127           HB3      GLU 127  -4.167   1.528  -2.142
  769    HG2  GLU 127           HG2      GLU 127  -6.230   0.543  -3.060
  770    HG3  GLU 127           HG3      GLU 127  -5.465   1.708  -4.132
  771    H    HIS 128           HN       HIS 128  -1.800   1.101  -1.339
  772    HA   HIS 128           HA       HIS 128  -1.261   3.870  -1.463
  773    HB2  HIS 128           HB2      HIS 128  -1.247   2.408   0.646
  774    HB3  HIS 128           HB3      HIS 128   0.396   1.959   0.188
  775    HD1  HIS 128           HD1      HIS 128   0.830   3.204   2.621
  776    HD2  HIS 128           HD2      HIS 128  -0.162   5.617  -0.618
  777    HE1  HIS 128           HE1      HIS 128   1.502   5.535   3.291
  778    HE2  HIS 128           HE2      HIS 128   0.957   6.976   1.296
  779    H    LEU 129           HN       LEU 129   0.640   1.100  -2.579
  780    HA   LEU 129           HA       LEU 129   2.991   2.432  -3.187
  781    HB2  LEU 129           HB2      LEU 129   2.685   0.015  -3.446
  782    HB3  LEU 129           HB3      LEU 129   1.557   0.280  -4.758
  783    HG   LEU 129           HG       LEU 129   3.231   0.788  -6.282
  784   HD11  LEU 129          HD11      LEU 129   5.448   1.561  -5.678
  785   HD12  LEU 129          HD12      LEU 129   4.232   2.577  -4.898
  786   HD13  LEU 129          HD13      LEU 129   5.085   1.347  -3.965
  787   HD21  LEU 129          HD21      LEU 129   3.420  -1.542  -5.423
  788   HD22  LEU 129          HD22      LEU 129   4.930  -0.889  -6.063
  789   HD23  LEU 129          HD23      LEU 129   4.679  -0.980  -4.318
  790    H    GLU 130           HN       GLU 130   0.057   2.076  -5.187
  791    HA   GLU 130           HA       GLU 130   1.028   3.839  -7.137
  792    HB2  GLU 130           HB2      GLU 130  -1.734   2.841  -6.538
  793    HB3  GLU 130           HB3      GLU 130  -1.447   4.029  -7.801
  794    HG2  GLU 130           HG2      GLU 130   0.212   2.358  -8.764
  795    HG3  GLU 130           HG3      GLU 130  -0.515   1.185  -7.665
  796    H    ILE 131           HN       ILE 131  -0.836   4.300  -4.230
  797    HA   ILE 131           HA       ILE 131  -1.523   6.984  -4.617
  798    HB   ILE 131           HB       ILE 131  -1.270   5.222  -2.239
  799   HG12  ILE 131          HG12      ILE 131  -3.604   5.777  -1.920
  800   HG13  ILE 131          HG13      ILE 131  -3.514   7.054  -3.128
  801   HG21  ILE 131          HG21      ILE 131  -1.917   7.107  -0.767
  802   HG22  ILE 131          HG22      ILE 131  -0.274   7.241  -1.407
  803   HG23  ILE 131          HG23      ILE 131  -1.572   8.213  -2.102
  804   HD11  ILE 131          HD11      ILE 131  -3.105   5.310  -4.846
  805   HD12  ILE 131          HD12      ILE 131  -3.380   4.083  -3.598
  806   HD13  ILE 131          HD13      ILE 131  -4.676   5.194  -4.051
  807    H    LEU 132           HN       LEU 132   1.400   5.584  -3.051
  808    HA   LEU 132           HA       LEU 132   2.623   8.022  -2.415
  809    HB2  LEU 132           HB2      LEU 132   4.198   5.688  -3.449
  810    HB3  LEU 132           HB3      LEU 132   4.708   6.911  -2.307
  811    HG   LEU 132           HG       LEU 132   2.438   5.277  -1.421
  812   HD11  LEU 132          HD11      LEU 132   5.185   4.126  -1.885
  813   HD12  LEU 132          HD12      LEU 132   3.898   3.352  -0.958
  814   HD13  LEU 132          HD13      LEU 132   3.687   3.642  -2.685
  815   HD21  LEU 132          HD21      LEU 132   3.835   5.178   0.633
  816   HD22  LEU 132          HD22      LEU 132   5.092   6.085  -0.207
  817   HD23  LEU 132          HD23      LEU 132   3.521   6.832   0.097
  818    H    GLN 133           HN       GLN 133   2.510   6.125  -5.307
  819    HA   GLN 133           HA       GLN 133   4.229   7.710  -6.886
  820    HB2  GLN 133           HB2      GLN 133   2.408   5.464  -7.269
  821    HB3  GLN 133           HB3      GLN 133   2.406   6.574  -8.634
  822    HG2  GLN 133           HG2      GLN 133   4.541   6.094  -9.215
  823    HG3  GLN 133           HG3      GLN 133   5.040   5.774  -7.554
  824   HE21  GLN 133          HE21      GLN 133   3.007   3.921  -6.922
  825   HE22  GLN 133          HE22      GLN 133   3.305   2.473  -7.822
  826    H    LYS 134           HN       LYS 134   0.656   7.697  -6.438
  827    HA   LYS 134           HA       LYS 134  -0.095   9.623  -8.180
  828    HB2  LYS 134           HB2      LYS 134  -2.022   9.062  -7.226
  829    HB3  LYS 134           HB3      LYS 134  -1.164   8.301  -5.897
  830    HG2  LYS 134           HG2      LYS 134  -1.173  11.120  -5.475
  831    HG3  LYS 134           HG3      LYS 134  -2.817  10.588  -5.843
  832    HD2  LYS 134           HD2      LYS 134  -2.525   8.790  -4.124
  833    HD3  LYS 134           HD3      LYS 134  -0.977   9.524  -3.696
  834    HE2  LYS 134           HE2      LYS 134  -3.673  10.879  -3.541
  835    HE3  LYS 134           HE3      LYS 134  -2.781  10.207  -2.178
  836    HZ1  LYS 134           HZ1      LYS 134  -2.485  12.601  -2.357
  837    HZ2  LYS 134           HZ2      LYS 134  -1.849  12.434  -3.917
  838    HZ3  LYS 134           HZ3      LYS 134  -1.008  11.797  -2.588
  839    H    GLU 135           HN       GLU 135   1.642  10.117  -5.172
  840    HA   GLU 135           HA       GLU 135   1.304  12.807  -4.750
  841    HB2  GLU 135           HB2      GLU 135   3.784  11.108  -4.502
  842    HB3  GLU 135           HB3      GLU 135   3.667  12.751  -3.889
  843    HG2  GLU 135           HG2      GLU 135   1.883  10.483  -3.033
  844    HG3  GLU 135           HG3      GLU 135   3.326  11.011  -2.166
  845    H    ASP 136           HN       ASP 136   3.361  11.199  -7.147
  846    HA   ASP 136           HA       ASP 136   3.213  13.462  -8.870
  847    HB2  ASP 136           HB2      ASP 136   5.022  14.184  -7.282
  848    HB3  ASP 136           HB3      ASP 136   5.984  12.820  -7.848
  849    H    VAL 137           HN       VAL 137   2.297  11.158  -9.512
  850    HA   VAL 137           HA       VAL 137   4.262  10.087 -11.441
  851    HB   VAL 137           HB       VAL 137   3.387   8.429  -9.735
  852   HG11  VAL 137          HG11      VAL 137   1.099   9.246  -9.580
  853   HG12  VAL 137          HG12      VAL 137   0.801   8.755 -11.249
  854   HG13  VAL 137          HG13      VAL 137   1.138   7.538 -10.016
  855   HG21  VAL 137          HG21      VAL 137   2.798   7.854 -12.635
  856   HG22  VAL 137          HG22      VAL 137   4.350   7.669 -11.823
  857   HG23  VAL 137          HG23      VAL 137   2.992   6.642 -11.369
  858    H    LYS 138           HN       LYS 138   2.159  12.306 -11.218
  859    HA   LYS 138           HA       LYS 138   1.050  12.057 -13.874
  860    HB2  LYS 138           HB2      LYS 138  -0.639  10.936 -12.519
  861    HB3  LYS 138           HB3      LYS 138  -0.682  12.293 -11.404
  862    HG2  LYS 138           HG2      LYS 138  -1.633  13.711 -13.106
  863    HG3  LYS 138           HG3      LYS 138  -1.493  12.417 -14.300
  864    HD2  LYS 138           HD2      LYS 138  -3.047  11.048 -13.049
  865    HD3  LYS 138           HD3      LYS 138  -3.127  12.261 -11.768
  866    HE2  LYS 138           HE2      LYS 138  -4.162  13.838 -13.268
  867    HE3  LYS 138           HE3      LYS 138  -3.960  12.731 -14.627
  868    HZ1  LYS 138           HZ1      LYS 138  -5.615  12.174 -12.224
  869    HZ2  LYS 138           HZ2      LYS 138  -5.477  11.197 -13.604
  870    HZ3  LYS 138           HZ3      LYS 138  -6.221  12.714 -13.710
  Start of MODEL    6
    1    H1   MET  29           H1       MET  29 -18.016  -8.086  11.553
    2    H2   MET  29           H2       MET  29 -17.929  -6.482  12.080
    3    H3   MET  29           H3       MET  29 -19.281  -7.014  11.217
    4    HA   MET  29           HA       MET  29 -18.471  -7.999  13.884
    5    HB2  MET  29           HB2      MET  29 -20.680  -6.090  13.087
    6    HB3  MET  29           HB3      MET  29 -20.489  -6.786  14.690
    7    HG2  MET  29           HG2      MET  29 -18.316  -5.688  14.911
    8    HG3  MET  29           HG3      MET  29 -18.512  -4.990  13.304
    9    HE1  MET  29           HE1      MET  29 -20.366  -3.146  12.708
   10    HE2  MET  29           HE2      MET  29 -21.604  -4.263  13.283
   11    HE3  MET  29           HE3      MET  29 -21.584  -2.596  13.859
   12    H    GLU  30           HN       GLU  30 -18.972  -9.677  11.654
   13    HA   GLU  30           HA       GLU  30 -21.727 -10.517  11.671
   14    HB2  GLU  30           HB2      GLU  30 -20.238 -10.706   9.685
   15    HB3  GLU  30           HB3      GLU  30 -19.276 -11.895  10.549
   16    HG2  GLU  30           HG2      GLU  30 -20.639 -13.156   9.158
   17    HG3  GLU  30           HG3      GLU  30 -21.422 -13.248  10.733
   18    H    CYS  31           HN       CYS  31 -18.848 -11.277  13.422
   19    HA   CYS  31           HA       CYS  31 -19.560 -13.890  14.293
   20    HB2  CYS  31           HB2      CYS  31 -17.727 -13.457  15.997
   21    HB3  CYS  31           HB3      CYS  31 -17.257 -13.325  14.304
   22    HG   CYS  31           HG       CYS  31 -17.152 -11.039  16.713
   23    H    ALA  32           HN       ALA  32 -20.826 -10.915  15.070
   24    HA   ALA  32           HA       ALA  32 -21.498 -11.514  17.823
   25    HB1  ALA  32           HB1      ALA  32 -21.118  -9.196  17.131
   26    HB2  ALA  32           HB2      ALA  32 -22.487  -9.301  16.023
   27    HB3  ALA  32           HB3      ALA  32 -22.750  -9.422  17.763
   28    H    ASP  33           HN       ASP  33 -22.430 -12.831  15.075
   29    HA   ASP  33           HA       ASP  33 -24.187 -14.045  14.329
   30    HB2  ASP  33           HB2      ASP  33 -25.291 -13.546  17.101
   31    HB3  ASP  33           HB3      ASP  33 -26.074 -14.572  15.903
   32    H    VAL  34           HN       VAL  34 -23.930 -11.335  13.818
   33    HA   VAL  34           HA       VAL  34 -26.736 -10.564  13.388
   34    HB   VAL  34           HB       VAL  34 -24.389  -8.720  13.913
   35   HG11  VAL  34          HG11      VAL  34 -25.891  -7.792  12.237
   36   HG12  VAL  34          HG12      VAL  34 -27.267  -8.049  13.312
   37   HG13  VAL  34          HG13      VAL  34 -26.007  -6.897  13.753
   38   HG21  VAL  34          HG21      VAL  34 -25.618  -8.053  15.915
   39   HG22  VAL  34          HG22      VAL  34 -26.880  -9.225  15.537
   40   HG23  VAL  34          HG23      VAL  34 -25.254  -9.778  15.941
   41    HA   PRO  35           HA       PRO  35 -25.077 -11.096   9.184
   42    HB2  PRO  35           HB2      PRO  35 -27.948 -10.663   8.578
   43    HB3  PRO  35           HB3      PRO  35 -26.871 -11.961   8.051
   44    HG2  PRO  35           HG2      PRO  35 -28.735 -12.424   9.882
   45    HG3  PRO  35           HG3      PRO  35 -27.120 -13.145  10.025
   46    HD2  PRO  35           HD2      PRO  35 -28.252 -10.755  11.444
   47    HD3  PRO  35           HD3      PRO  35 -27.285 -12.095  12.099
   48    H    LEU  36           HN       LEU  36 -24.212  -9.448   8.169
   49    HA   LEU  36           HA       LEU  36 -25.738  -7.062   7.623
   50    HB2  LEU  36           HB2      LEU  36 -23.813  -5.631   8.581
   51    HB3  LEU  36           HB3      LEU  36 -25.046  -6.249   9.657
   52    HG   LEU  36           HG       LEU  36 -23.417  -8.152  10.177
   53   HD11  LEU  36          HD11      LEU  36 -21.050  -7.650   9.872
   54   HD12  LEU  36          HD12      LEU  36 -21.876  -7.829   8.324
   55   HD13  LEU  36          HD13      LEU  36 -21.471  -6.222   8.927
   56   HD21  LEU  36          HD21      LEU  36 -22.748  -5.331  10.980
   57   HD22  LEU  36          HD22      LEU  36 -23.950  -6.378  11.734
   58   HD23  LEU  36          HD23      LEU  36 -22.238  -6.791  11.830
   59    H    LEU  37           HN       LEU  37 -24.891  -5.762   6.012
   60    HA   LEU  37           HA       LEU  37 -22.799  -7.037   4.400
   61    HB2  LEU  37           HB2      LEU  37 -24.894  -6.646   3.245
   62    HB3  LEU  37           HB3      LEU  37 -24.880  -4.958   3.717
   63    HG   LEU  37           HG       LEU  37 -22.853  -4.616   2.334
   64   HD11  LEU  37          HD11      LEU  37 -21.982  -6.891   2.381
   65   HD12  LEU  37          HD12      LEU  37 -23.361  -7.446   1.429
   66   HD13  LEU  37          HD13      LEU  37 -22.196  -6.323   0.724
   67   HD21  LEU  37          HD21      LEU  37 -25.085  -4.136   1.462
   68   HD22  LEU  37          HD22      LEU  37 -23.996  -4.691   0.191
   69   HD23  LEU  37          HD23      LEU  37 -25.203  -5.788   0.859
   70    H    THR  38           HN       THR  38 -20.859  -6.299   5.031
   71    HA   THR  38           HA       THR  38 -20.507  -3.382   5.122
   72    HB   THR  38           HB       THR  38 -18.730  -3.764   6.871
   73    HG1  THR  38           HG1      THR  38 -18.263  -5.778   7.268
   74   HG21  THR  38          HG21      THR  38 -21.557  -4.508   7.625
   75   HG22  THR  38          HG22      THR  38 -20.912  -2.873   7.481
   76   HG23  THR  38          HG23      THR  38 -20.310  -3.951   8.741
   77    HA   PRO  39           HA       PRO  39 -17.166  -3.645   2.147
   78    HB2  PRO  39           HB2      PRO  39 -15.851  -2.058   4.327
   79    HB3  PRO  39           HB3      PRO  39 -15.835  -1.798   2.577
   80    HG2  PRO  39           HG2      PRO  39 -17.429  -0.345   4.104
   81    HG3  PRO  39           HG3      PRO  39 -18.007  -0.973   2.549
   82    HD2  PRO  39           HD2      PRO  39 -18.660  -1.868   5.310
   83    HD3  PRO  39           HD3      PRO  39 -19.662  -1.901   3.844
   84    H    SER  40           HN       SER  40 -16.165  -5.580   2.027
   85    HA   SER  40           HA       SER  40 -14.781  -6.549   4.425
   86    HB2  SER  40           HB2      SER  40 -14.995  -8.799   3.217
   87    HB3  SER  40           HB3      SER  40 -16.486  -8.071   3.822
   88    HG   SER  40           HG       SER  40 -16.665  -8.839   1.646
   89    H    SER  41           HN       SER  41 -14.410  -6.832   0.845
   90    HA   SER  41           HA       SER  41 -11.642  -7.548   1.334
   91    HB2  SER  41           HB2      SER  41 -11.712  -7.904  -1.219
   92    HB3  SER  41           HB3      SER  41 -12.665  -8.982  -0.198
   93    HG   SER  41           HG       SER  41 -14.445  -8.201  -1.025
   94    H    LYS  42           HN       LYS  42 -12.980  -5.437  -1.275
   95    HA   LYS  42           HA       LYS  42 -10.620  -3.760  -0.987
   96    HB2  LYS  42           HB2      LYS  42 -11.469  -4.318  -3.247
   97    HB3  LYS  42           HB3      LYS  42 -12.935  -3.406  -2.877
   98    HG2  LYS  42           HG2      LYS  42 -11.756  -1.768  -3.947
   99    HG3  LYS  42           HG3      LYS  42 -11.177  -1.499  -2.292
  100    HD2  LYS  42           HD2      LYS  42  -9.277  -1.450  -3.694
  101    HD3  LYS  42           HD3      LYS  42  -9.238  -2.996  -2.847
  102    HE2  LYS  42           HE2      LYS  42  -9.980  -4.163  -4.781
  103    HE3  LYS  42           HE3      LYS  42 -10.360  -2.660  -5.621
  104    HZ1  LYS  42           HZ1      LYS  42  -8.288  -3.595  -6.414
  105    HZ2  LYS  42           HZ2      LYS  42  -7.636  -3.584  -4.844
  106    HZ3  LYS  42           HZ3      LYS  42  -7.997  -2.123  -5.629
  107    H    GLU  43           HN       GLU  43 -14.101  -3.509  -0.442
  108    HA   GLU  43           HA       GLU  43 -14.099  -0.689  -0.501
  109    HB2  GLU  43           HB2      GLU  43 -16.359  -1.149   0.826
  110    HB3  GLU  43           HB3      GLU  43 -16.215  -1.372  -0.911
  111    HG2  GLU  43           HG2      GLU  43 -15.775  -3.599   1.032
  112    HG3  GLU  43           HG3      GLU  43 -17.378  -3.172   0.448
  113    H    MET  44           HN       MET  44 -13.130  -2.908   1.902
  114    HA   MET  44           HA       MET  44 -13.393  -1.198   4.137
  115    HB2  MET  44           HB2      MET  44 -12.997  -3.573   4.445
  116    HB3  MET  44           HB3      MET  44 -11.480  -3.470   3.562
  117    HG2  MET  44           HG2      MET  44 -11.146  -3.615   5.969
  118    HG3  MET  44           HG3      MET  44 -10.513  -2.119   5.287
  119    HE1  MET  44           HE1      MET  44 -14.489  -2.346   7.617
  120    HE2  MET  44           HE2      MET  44 -14.265  -2.990   5.991
  121    HE3  MET  44           HE3      MET  44 -13.443  -3.744   7.358
  122    H    MET  45           HN       MET  45 -10.584  -1.969   2.045
  123    HA   MET  45           HA       MET  45  -8.970   0.132   3.040
  124    HB2  MET  45           HB2      MET  45  -7.506  -0.289   1.159
  125    HB3  MET  45           HB3      MET  45  -8.041  -1.821   1.851
  126    HG2  MET  45           HG2      MET  45  -9.868  -1.727   0.029
  127    HG3  MET  45           HG3      MET  45  -8.827  -0.519  -0.721
  128    HE1  MET  45           HE1      MET  45  -6.825  -1.049  -2.161
  129    HE2  MET  45           HE2      MET  45  -6.025  -1.223  -0.603
  130    HE3  MET  45           HE3      MET  45  -5.765  -2.428  -1.863
  131    H    SER  46           HN       SER  46 -11.354  -0.003   0.452
  132    HA   SER  46           HA       SER  46 -10.807   2.365  -0.847
  133    HB2  SER  46           HB2      SER  46 -12.587   0.770  -1.493
  134    HB3  SER  46           HB3      SER  46 -13.555   1.319  -0.126
  135    HG   SER  46           HG       SER  46 -13.095   2.514  -2.575
  136    H    GLN  47           HN       GLN  47 -12.866   1.964   2.049
  137    HA   GLN  47           HA       GLN  47 -12.891   4.793   2.508
  138    HB2  GLN  47           HB2      GLN  47 -13.972   4.204   4.681
  139    HB3  GLN  47           HB3      GLN  47 -14.801   3.570   3.268
  140    HG2  GLN  47           HG2      GLN  47 -13.723   1.384   3.671
  141    HG3  GLN  47           HG3      GLN  47 -13.009   2.044   5.139
  142   HE21  GLN  47          HE21      GLN  47 -14.856  -0.172   4.764
  143   HE22  GLN  47          HE22      GLN  47 -16.238   0.184   5.733
  144    H    ALA  48           HN       ALA  48 -11.232   2.044   4.072
  145    HA   ALA  48           HA       ALA  48 -10.048   3.650   6.086
  146    HB1  ALA  48           HB1      ALA  48  -8.836   1.678   6.732
  147    HB2  ALA  48           HB2      ALA  48 -10.498   1.237   6.340
  148    HB3  ALA  48           HB3      ALA  48  -9.201   0.903   5.191
  149    H    LEU  49           HN       LEU  49  -8.619   2.163   3.122
  150    HA   LEU  49           HA       LEU  49  -5.975   2.951   3.810
  151    HB2  LEU  49           HB2      LEU  49  -7.290   1.470   1.679
  152    HB3  LEU  49           HB3      LEU  49  -6.143   2.630   1.025
  153    HG   LEU  49           HG       LEU  49  -5.603   0.303   2.824
  154   HD11  LEU  49          HD11      LEU  49  -4.499   1.220   0.182
  155   HD12  LEU  49          HD12      LEU  49  -4.033  -0.251   1.036
  156   HD13  LEU  49          HD13      LEU  49  -5.679  -0.064   0.430
  157   HD21  LEU  49          HD21      LEU  49  -3.829   2.679   2.317
  158   HD22  LEU  49          HD22      LEU  49  -4.323   2.006   3.866
  159   HD23  LEU  49          HD23      LEU  49  -3.208   1.110   2.832
  160    H    LYS  50           HN       LYS  50  -8.287   4.029   1.367
  161    HA   LYS  50           HA       LYS  50  -6.598   5.910   0.224
  162    HB2  LYS  50           HB2      LYS  50  -9.613   6.049   0.219
  163    HB3  LYS  50           HB3      LYS  50  -8.508   6.694  -0.986
  164    HG2  LYS  50           HG2      LYS  50  -8.997   3.789  -0.384
  165    HG3  LYS  50           HG3      LYS  50  -9.543   4.678  -1.806
  166    HD2  LYS  50           HD2      LYS  50  -6.659   4.163  -1.042
  167    HD3  LYS  50           HD3      LYS  50  -7.556   3.311  -2.298
  168    HE2  LYS  50           HE2      LYS  50  -7.003   6.279  -2.275
  169    HE3  LYS  50           HE3      LYS  50  -6.067   5.088  -3.172
  170    HZ1  LYS  50           HZ1      LYS  50  -8.938   5.718  -3.564
  171    HZ2  LYS  50           HZ2      LYS  50  -8.099   4.498  -4.381
  172    HZ3  LYS  50           HZ3      LYS  50  -7.670   6.124  -4.608
  173    H    ALA  51           HN       ALA  51  -8.705   6.116   2.975
  174    HA   ALA  51           HA       ALA  51  -8.387   8.959   3.348
  175    HB1  ALA  51           HB1      ALA  51 -10.385   7.807   4.172
  176    HB2  ALA  51           HB2      ALA  51  -9.384   6.881   5.289
  177    HB3  ALA  51           HB3      ALA  51  -9.519   8.630   5.470
  178    H    THR  52           HN       THR  52  -6.903   6.010   4.657
  179    HA   THR  52           HA       THR  52  -5.691   7.328   6.871
  180    HB   THR  52           HB       THR  52  -6.347   4.893   6.790
  181    HG1  THR  52           HG1      THR  52  -4.905   4.509   8.345
  182   HG21  THR  52          HG21      THR  52  -5.348   4.341   4.602
  183   HG22  THR  52          HG22      THR  52  -4.734   3.291   5.882
  184   HG23  THR  52          HG23      THR  52  -3.743   4.619   5.276
  185    H    PHE  53           HN       PHE  53  -4.817   7.297   3.648
  186    HA   PHE  53           HA       PHE  53  -2.149   6.588   3.646
  187    HB2  PHE  53           HB2      PHE  53  -3.620   8.537   1.889
  188    HB3  PHE  53           HB3      PHE  53  -1.943   8.079   1.607
  189    HD1  PHE  53           HD2      PHE  53  -2.037   5.214   2.276
  190    HD2  PHE  53           HD1      PHE  53  -4.746   7.642   0.088
  191    HE1  PHE  53           HE2      PHE  53  -2.802   3.241   1.031
  192    HE2  PHE  53           HE1      PHE  53  -5.521   5.670  -1.151
  193    HZ   PHE  53           HZ       PHE  53  -4.488   3.462  -0.716
  194    H    SER  54           HN       SER  54  -3.562   9.547   4.735
  195    HA   SER  54           HA       SER  54  -1.333  11.232   4.477
  196    HB2  SER  54           HB2      SER  54  -2.568  12.482   6.396
  197    HB3  SER  54           HB3      SER  54  -3.357  12.332   4.826
  198    HG   SER  54           HG       SER  54  -4.878  11.235   5.752
  199    H    GLY  55           HN       GLY  55  -2.112   8.769   6.779
  200    HA2  GLY  55           HA1      GLY  55  -0.586   9.515   8.970
  201    HA3  GLY  55           HA2      GLY  55  -0.913   7.858   8.487
  202    H    PHE  56           HN       PHE  56   0.500   7.212   6.451
  203    HA   PHE  56           HA       PHE  56   3.153   7.246   7.512
  204    HB2  PHE  56           HB2      PHE  56   2.320   5.234   6.395
  205    HB3  PHE  56           HB3      PHE  56   2.192   6.119   4.876
  206    HD1  PHE  56           HD1      PHE  56   4.581   4.864   7.401
  207    HD2  PHE  56           HD2      PHE  56   4.054   6.436   3.484
  208    HE1  PHE  56           HE1      PHE  56   6.894   4.244   6.844
  209    HE2  PHE  56           HE2      PHE  56   6.368   5.829   2.927
  210    HZ   PHE  56           HZ       PHE  56   7.847   4.877   4.687
  211    H    THR  57           HN       THR  57   1.636   8.639   4.673
  212    HA   THR  57           HA       THR  57   4.026   9.417   3.363
  213    HB   THR  57           HB       THR  57   1.280  10.617   3.124
  214    HG1  THR  57           HG1      THR  57   2.522   8.536   1.600
  215   HG21  THR  57          HG21      THR  57   2.009  11.220   0.831
  216   HG22  THR  57          HG22      THR  57   3.632  10.644   1.219
  217   HG23  THR  57          HG23      THR  57   2.959  12.031   2.076
  218    H    LYS  58           HN       LYS  58   2.356  10.744   6.013
  219    HA   LYS  58           HA       LYS  58   3.444  13.432   5.746
  220    HB2  LYS  58           HB2      LYS  58   1.310  13.255   6.872
  221    HB3  LYS  58           HB3      LYS  58   1.964  12.093   8.019
  222    HG2  LYS  58           HG2      LYS  58   3.446  13.822   8.918
  223    HG3  LYS  58           HG3      LYS  58   2.772  14.985   7.775
  224    HD2  LYS  58           HD2      LYS  58   1.147  13.501   9.835
  225    HD3  LYS  58           HD3      LYS  58   1.809  15.119  10.076
  226    HE2  LYS  58           HE2      LYS  58  -0.094  14.333   7.873
  227    HE3  LYS  58           HE3      LYS  58  -0.556  15.140   9.371
  228    HZ1  LYS  58           HZ1      LYS  58   1.267  16.224   7.291
  229    HZ2  LYS  58           HZ2      LYS  58   0.909  16.987   8.758
  230    HZ3  LYS  58           HZ3      LYS  58  -0.314  16.741   7.611
  231    H    GLU  59           HN       GLU  59   4.005  10.498   7.579
  232    HA   GLU  59           HA       GLU  59   6.237  11.659   9.016
  233    HB2  GLU  59           HB2      GLU  59   5.402  10.239  10.522
  234    HB3  GLU  59           HB3      GLU  59   4.493   9.352   9.315
  235    HG2  GLU  59           HG2      GLU  59   6.133   7.810   9.030
  236    HG3  GLU  59           HG3      GLU  59   7.418   8.915   9.540
  237    H    GLN  60           HN       GLN  60   5.620   9.840   6.211
  238    HA   GLN  60           HA       GLN  60   8.027   8.649   5.560
  239    HB2  GLN  60           HB2      GLN  60   5.799   8.815   4.248
  240    HB3  GLN  60           HB3      GLN  60   6.433  10.326   3.623
  241    HG2  GLN  60           HG2      GLN  60   8.242   9.206   2.557
  242    HG3  GLN  60           HG3      GLN  60   7.793   7.668   3.306
  243   HE21  GLN  60          HE21      GLN  60   8.008   8.371   0.478
  244   HE22  GLN  60          HE22      GLN  60   6.460   8.033  -0.209
  245    H    GLN  61           HN       GLN  61   6.949  11.954   5.103
  246    HA   GLN  61           HA       GLN  61   9.342  13.047   4.069
  247    HB2  GLN  61           HB2      GLN  61   7.177  14.351   5.729
  248    HB3  GLN  61           HB3      GLN  61   8.388  15.212   4.778
  249    HG2  GLN  61           HG2      GLN  61   6.245  13.383   3.714
  250    HG3  GLN  61           HG3      GLN  61   6.291  15.141   3.585
  251   HE21  GLN  61          HE21      GLN  61   7.637  12.146   2.439
  252   HE22  GLN  61          HE22      GLN  61   8.461  12.803   1.072
  253    H    ARG  62           HN       ARG  62   8.126  12.638   7.327
  254    HA   ARG  62           HA       ARG  62  10.062  14.073   8.779
  255    HB2  ARG  62           HB2      ARG  62   7.892  13.351   9.673
  256    HB3  ARG  62           HB3      ARG  62   8.393  11.674   9.549
  257    HG2  ARG  62           HG2      ARG  62   8.552  12.294  11.827
  258    HG3  ARG  62           HG3      ARG  62  10.196  12.167  11.205
  259    HD2  ARG  62           HD2      ARG  62   8.835  14.817  11.156
  260    HD3  ARG  62           HD3      ARG  62   9.451  14.205  12.690
  261    HE   ARG  62           HE       ARG  62  11.655  14.028  11.534
  262   HH11  ARG  62          HH12      ARG  62   9.207  16.208  10.292
  263   HH12  ARG  62          HH11      ARG  62  10.357  17.363   9.681
  264   HH21  ARG  62          HH22      ARG  62  13.178  15.538  10.746
  265   HH22  ARG  62          HH21      ARG  62  12.624  16.985   9.945
  266    H    LEU  63           HN       LEU  63   9.795  10.644   7.975
  267    HA   LEU  63           HA       LEU  63  12.298   9.925   9.138
  268    HB2  LEU  63           HB2      LEU  63  10.497   8.404   7.279
  269    HB3  LEU  63           HB3      LEU  63  11.838   7.720   8.179
  270    HG   LEU  63           HG       LEU  63   9.467   9.027   9.506
  271   HD11  LEU  63          HD11      LEU  63   8.774   7.067   8.162
  272   HD12  LEU  63          HD12      LEU  63   9.922   6.082   9.071
  273   HD13  LEU  63          HD13      LEU  63   8.559   6.844   9.898
  274   HD21  LEU  63          HD21      LEU  63  11.511   8.911  10.835
  275   HD22  LEU  63          HD22      LEU  63  10.265   7.839  11.477
  276   HD23  LEU  63          HD23      LEU  63  11.606   7.173  10.543
  277    H    GLY  64           HN       GLY  64  11.859  11.782   6.624
  278    HA2  GLY  64           HA1      GLY  64  13.202  12.404   4.866
  279    HA3  GLY  64           HA2      GLY  64  14.453  11.381   5.566
  280    H    ILE  65           HN       ILE  65  11.367  10.057   4.846
  281    HA   ILE  65           HA       ILE  65  12.592   8.285   2.955
  282    HB   ILE  65           HB       ILE  65   9.749   8.310   3.969
  283   HG12  ILE  65          HG12      ILE  65  12.157   6.655   4.748
  284   HG13  ILE  65          HG13      ILE  65  11.301   7.811   5.761
  285   HG21  ILE  65          HG21      ILE  65   9.606   6.054   3.026
  286   HG22  ILE  65          HG22      ILE  65   9.929   7.257   1.776
  287   HG23  ILE  65          HG23      ILE  65  11.234   6.224   2.366
  288   HD11  ILE  65          HD11      ILE  65   9.321   6.371   5.720
  289   HD12  ILE  65          HD12      ILE  65  10.195   5.211   4.716
  290   HD13  ILE  65          HD13      ILE  65  10.732   5.532   6.365
  291    HA   PRO  66           HA       PRO  66  11.607  10.947  -0.525
  292    HB2  PRO  66           HB2      PRO  66  11.686   8.280  -1.852
  293    HB3  PRO  66           HB3      PRO  66  12.487   9.785  -2.308
  294    HG2  PRO  66           HG2      PRO  66  13.818   7.768  -1.150
  295    HG3  PRO  66           HG3      PRO  66  14.221   9.466  -0.823
  296    HD2  PRO  66           HD2      PRO  66  12.857   7.477   0.889
  297    HD3  PRO  66           HD3      PRO  66  13.813   8.900   1.345
  298    H    LYS  67           HN       LYS  67   9.676  11.575  -1.241
  299    HA   LYS  67           HA       LYS  67   7.263  10.416  -0.544
  300    HB2  LYS  67           HB2      LYS  67   6.329  11.900  -2.461
  301    HB3  LYS  67           HB3      LYS  67   7.099  12.662  -1.077
  302    HG2  LYS  67           HG2      LYS  67   9.089  13.078  -2.313
  303    HG3  LYS  67           HG3      LYS  67   8.528  12.088  -3.665
  304    HD2  LYS  67           HD2      LYS  67   6.991  14.497  -2.748
  305    HD3  LYS  67           HD3      LYS  67   8.360  14.655  -3.849
  306    HE2  LYS  67           HE2      LYS  67   6.064  12.793  -4.395
  307    HE3  LYS  67           HE3      LYS  67   6.040  14.484  -4.892
  308    HZ1  LYS  67           HZ1      LYS  67   6.815  13.141  -6.704
  309    HZ2  LYS  67           HZ2      LYS  67   7.995  12.405  -5.740
  310    HZ3  LYS  67           HZ3      LYS  67   8.121  14.050  -6.129
  311    H    ASP  68           HN       ASP  68   9.154   9.845  -3.427
  312    HA   ASP  68           HA       ASP  68   7.016   8.269  -4.664
  313    HB2  ASP  68           HB2      ASP  68   9.855   8.782  -5.590
  314    HB3  ASP  68           HB3      ASP  68   8.637   7.903  -6.503
  315    HA   PRO  69           HA       PRO  69   8.836   4.434  -3.289
  316    HB2  PRO  69           HB2      PRO  69   7.880   2.957  -5.531
  317    HB3  PRO  69           HB3      PRO  69   7.160   3.070  -3.926
  318    HG2  PRO  69           HG2      PRO  69   6.063   4.079  -6.269
  319    HG3  PRO  69           HG3      PRO  69   5.595   4.544  -4.627
  320    HD2  PRO  69           HD2      PRO  69   7.338   5.964  -6.576
  321    HD3  PRO  69           HD3      PRO  69   6.258   6.626  -5.331
  322    H    ARG  70           HN       ARG  70   9.364   5.601  -6.515
  323    HA   ARG  70           HA       ARG  70  10.764   3.478  -7.655
  324    HB2  ARG  70           HB2      ARG  70  10.711   6.408  -8.317
  325    HB3  ARG  70           HB3      ARG  70  11.636   5.259  -9.263
  326    HG2  ARG  70           HG2      ARG  70   9.664   5.486 -10.448
  327    HG3  ARG  70           HG3      ARG  70   9.423   3.996  -9.538
  328    HD2  ARG  70           HD2      ARG  70   7.969   5.031  -8.014
  329    HD3  ARG  70           HD3      ARG  70   8.457   6.654  -8.519
  330    HE   ARG  70           HE       ARG  70   7.042   4.868 -10.386
  331   HH11  ARG  70          HH12      ARG  70   7.189   7.896  -8.595
  332   HH12  ARG  70          HH11      ARG  70   5.821   8.584  -9.416
  333   HH21  ARG  70          HH22      ARG  70   5.253   5.797 -11.464
  334   HH22  ARG  70          HH21      ARG  70   4.716   7.395 -11.026
  335    H    GLN  71           HN       GLN  71  11.968   5.124  -5.103
  336    HA   GLN  71           HA       GLN  71  14.740   4.636  -5.903
  337    HB2  GLN  71           HB2      GLN  71  15.520   6.826  -5.449
  338    HB3  GLN  71           HB3      GLN  71  14.098   7.037  -6.462
  339    HG2  GLN  71           HG2      GLN  71  14.222   7.362  -3.473
  340    HG3  GLN  71           HG3      GLN  71  14.118   8.656  -4.666
  341   HE21  GLN  71          HE21      GLN  71  12.417   5.972  -3.182
  342   HE22  GLN  71          HE22      GLN  71  10.822   6.511  -3.589
  343    H    TRP  72           HN       TRP  72  12.630   3.752  -3.815
  344    HA   TRP  72           HA       TRP  72  13.687   4.563  -1.311
  345    HB2  TRP  72           HB2      TRP  72  11.663   2.579  -2.292
  346    HB3  TRP  72           HB3      TRP  72  12.250   2.440  -0.638
  347    HD1  TRP  72           HD1      TRP  72  12.283   5.956  -0.900
  348    HE1  TRP  72           HE1      TRP  72  10.040   7.026  -0.208
  349    HE3  TRP  72           HE3      TRP  72   9.319   1.822  -1.123
  350    HZ2  TRP  72           HZ2      TRP  72   7.356   6.197   0.189
  351    HZ3  TRP  72           HZ3      TRP  72   6.938   2.039  -0.577
  352    HH2  TRP  72           HH2      TRP  72   5.981   4.176   0.062
  353    H    THR  73           HN       THR  73  14.713   3.218   0.248
  354    HA   THR  73           HA       THR  73  16.369   1.090  -0.792
  355    HB   THR  73           HB       THR  73  17.277   1.043   1.519
  356    HG1  THR  73           HG1      THR  73  16.487   2.628   3.006
  357   HG21  THR  73          HG21      THR  73  18.225   2.616  -0.135
  358   HG22  THR  73          HG22      THR  73  18.313   3.248   1.509
  359   HG23  THR  73          HG23      THR  73  17.079   3.846   0.402
  360    H    GLU  74           HN       GLU  74  16.477  -0.924   0.779
  361    HA   GLU  74           HA       GLU  74  14.008  -2.266   0.746
  362    HB2  GLU  74           HB2      GLU  74  16.424  -2.789   2.497
  363    HB3  GLU  74           HB3      GLU  74  15.094  -3.910   2.249
  364    HG2  GLU  74           HG2      GLU  74  15.653  -4.144  -0.073
  365    HG3  GLU  74           HG3      GLU  74  16.893  -2.895   0.065
  366    H    THR  75           HN       THR  75  15.518  -0.190   3.081
  367    HA   THR  75           HA       THR  75  13.873  -0.889   5.303
  368    HB   THR  75           HB       THR  75  15.266   1.753   5.051
  369    HG1  THR  75           HG1      THR  75  16.586  -0.709   5.628
  370   HG21  THR  75          HG21      THR  75  14.983  -0.248   7.297
  371   HG22  THR  75          HG22      THR  75  14.053   1.238   7.112
  372   HG23  THR  75          HG23      THR  75  15.789   1.317   7.411
  373    H    HIS  76           HN       HIS  76  13.790   1.551   2.754
  374    HA   HIS  76           HA       HIS  76  11.723   3.109   4.011
  375    HB2  HIS  76           HB2      HIS  76  12.971   3.219   1.263
  376    HB3  HIS  76           HB3      HIS  76  11.674   4.296   1.769
  377    HD1  HIS  76           HD1      HIS  76  14.689   5.133   1.033
  378    HD2  HIS  76           HD2      HIS  76  13.007   4.818   4.828
  379    HE1  HIS  76           HE1      HIS  76  16.076   6.603   2.510
  380    HE2  HIS  76           HE2      HIS  76  15.091   6.359   4.826
  381    H    VAL  77           HN       VAL  77  11.907   0.721   1.417
  382    HA   VAL  77           HA       VAL  77   9.238   0.886   0.586
  383    HB   VAL  77           HB       VAL  77  11.306  -1.306   0.388
  384   HG11  VAL  77          HG11      VAL  77   8.528  -1.311  -0.785
  385   HG12  VAL  77          HG12      VAL  77   9.797  -2.486  -1.131
  386   HG13  VAL  77          HG13      VAL  77   9.121  -2.372   0.493
  387   HG21  VAL  77          HG21      VAL  77  11.310  -0.712  -1.994
  388   HG22  VAL  77          HG22      VAL  77  10.078   0.519  -1.696
  389   HG23  VAL  77          HG23      VAL  77  11.685   0.687  -0.986
  390    H    ARG  78           HN       ARG  78  10.889  -1.374   2.799
  391    HA   ARG  78           HA       ARG  78   8.547  -2.763   3.513
  392    HB2  ARG  78           HB2      ARG  78  11.234  -2.536   4.837
  393    HB3  ARG  78           HB3      ARG  78   9.941  -3.530   5.499
  394    HG2  ARG  78           HG2      ARG  78   9.844  -4.728   3.308
  395    HG3  ARG  78           HG3      ARG  78  11.283  -3.831   2.824
  396    HD2  ARG  78           HD2      ARG  78  11.117  -5.580   5.268
  397    HD3  ARG  78           HD3      ARG  78  11.734  -6.120   3.708
  398    HE   ARG  78           HE       ARG  78  12.975  -3.828   5.058
  399   HH11  ARG  78          HH12      ARG  78  13.150  -7.083   3.796
  400   HH12  ARG  78          HH11      ARG  78  14.870  -7.201   3.990
  401   HH21  ARG  78          HH22      ARG  78  15.260  -3.987   5.324
  402   HH22  ARG  78          HH21      ARG  78  16.063  -5.449   4.832
  403    H    ASP  79           HN       ASP  79   9.925   0.192   4.711
  404    HA   ASP  79           HA       ASP  79   8.589   0.419   7.168
  405    HB2  ASP  79           HB2      ASP  79  10.341   1.983   5.838
  406    HB3  ASP  79           HB3      ASP  79   8.847   2.856   5.478
  407    H    TRP  80           HN       TRP  80   7.730   1.547   3.926
  408    HA   TRP  80           HA       TRP  80   5.156   2.521   4.656
  409    HB2  TRP  80           HB2      TRP  80   6.003   3.593   2.804
  410    HB3  TRP  80           HB3      TRP  80   6.806   2.146   2.204
  411    HD1  TRP  80           HD1      TRP  80   3.491   4.017   2.025
  412    HE1  TRP  80           HE1      TRP  80   2.133   3.001   0.093
  413    HE3  TRP  80           HE3      TRP  80   6.428  -0.018   0.967
  414    HZ2  TRP  80           HZ2      TRP  80   2.267   0.782  -1.646
  415    HZ3  TRP  80           HZ3      TRP  80   5.748  -1.541  -0.833
  416    HH2  TRP  80           HH2      TRP  80   3.708  -1.151  -2.107
  417    H    VAL  81           HN       VAL  81   6.550  -0.428   3.610
  418    HA   VAL  81           HA       VAL  81   4.309  -1.790   2.593
  419    HB   VAL  81           HB       VAL  81   7.009  -2.552   3.614
  420   HG11  VAL  81          HG11      VAL  81   6.608  -4.916   3.333
  421   HG12  VAL  81          HG12      VAL  81   5.585  -4.264   4.613
  422   HG13  VAL  81          HG13      VAL  81   4.897  -4.610   3.024
  423   HG21  VAL  81          HG21      VAL  81   5.514  -3.124   1.069
  424   HG22  VAL  81          HG22      VAL  81   6.748  -1.886   1.308
  425   HG23  VAL  81          HG23      VAL  81   7.180  -3.594   1.404
  426    H    MET  82           HN       MET  82   5.915  -2.046   5.734
  427    HA   MET  82           HA       MET  82   3.772  -3.515   6.864
  428    HB2  MET  82           HB2      MET  82   4.937  -3.346   8.969
  429    HB3  MET  82           HB3      MET  82   6.047  -3.769   7.676
  430    HG2  MET  82           HG2      MET  82   6.735  -1.380   7.584
  431    HG3  MET  82           HG3      MET  82   5.741  -1.096   9.013
  432    HE1  MET  82           HE1      MET  82   7.519  -3.692  11.496
  433    HE2  MET  82           HE2      MET  82   6.118  -2.640  11.292
  434    HE3  MET  82           HE3      MET  82   6.275  -4.098  10.311
  435    H    TRP  83           HN       TRP  83   4.082  -0.128   6.300
  436    HA   TRP  83           HA       TRP  83   2.556   0.649   8.593
  437    HB2  TRP  83           HB2      TRP  83   3.873   2.345   7.425
  438    HB3  TRP  83           HB3      TRP  83   2.942   2.097   5.950
  439    HD1  TRP  83           HD1      TRP  83   2.613   3.594   9.463
  440    HE1  TRP  83           HE1      TRP  83   0.631   5.238   9.459
  441    HE3  TRP  83           HE3      TRP  83   0.786   2.631   4.797
  442    HZ2  TRP  83           HZ2      TRP  83  -1.437   6.021   7.689
  443    HZ3  TRP  83           HZ3      TRP  83  -1.190   3.860   4.024
  444    HH2  TRP  83           HH2      TRP  83  -2.276   5.515   5.440
  445    H    ALA  84           HN       ALA  84   1.513   0.411   5.137
  446    HA   ALA  84           HA       ALA  84  -1.208   0.742   5.828
  447    HB1  ALA  84           HB1      ALA  84  -0.180  -0.769   3.419
  448    HB2  ALA  84           HB2      ALA  84  -1.783  -0.055   3.629
  449    HB3  ALA  84           HB3      ALA  84  -0.360   0.984   3.499
  450    H    VAL  85           HN       VAL  85   0.908  -2.009   5.599
  451    HA   VAL  85           HA       VAL  85  -0.861  -4.064   6.160
  452    HB   VAL  85           HB       VAL  85   2.065  -3.642   6.635
  453   HG11  VAL  85          HG11      VAL  85   2.298  -5.910   7.521
  454   HG12  VAL  85          HG12      VAL  85   1.353  -4.893   8.610
  455   HG13  VAL  85          HG13      VAL  85   0.541  -6.071   7.578
  456   HG21  VAL  85          HG21      VAL  85   1.304  -4.230   4.419
  457   HG22  VAL  85          HG22      VAL  85   2.230  -5.560   5.116
  458   HG23  VAL  85          HG23      VAL  85   0.470  -5.647   5.057
  459    H    ASN  86           HN       ASN  86   1.069  -2.194   8.582
  460    HA   ASN  86           HA       ASN  86  -0.053  -3.693  10.681
  461    HB2  ASN  86           HB2      ASN  86   1.309  -2.599  12.136
  462    HB3  ASN  86           HB3      ASN  86   2.167  -2.387  10.621
  463   HD21  ASN  86          HD21      ASN  86   0.523  -0.300   9.584
  464   HD22  ASN  86          HD22      ASN  86   0.840   1.116  10.545
  465    H    GLU  87           HN       GLU  87  -1.273  -0.947   9.060
  466    HA   GLU  87           HA       GLU  87  -2.934  -0.045  11.255
  467    HB2  GLU  87           HB2      GLU  87  -2.966   0.632   8.303
  468    HB3  GLU  87           HB3      GLU  87  -3.979   1.398   9.520
  469    HG2  GLU  87           HG2      GLU  87  -0.977   1.447   9.489
  470    HG3  GLU  87           HG3      GLU  87  -2.022   2.745   8.906
  471    H    PHE  88           HN       PHE  88  -3.121  -1.849   8.300
  472    HA   PHE  88           HA       PHE  88  -5.900  -2.518   8.525
  473    HB2  PHE  88           HB2      PHE  88  -3.623  -3.096   6.682
  474    HB3  PHE  88           HB3      PHE  88  -5.083  -4.097   6.595
  475    HD1  PHE  88           HD2      PHE  88  -4.261  -0.485   6.921
  476    HD2  PHE  88           HD1      PHE  88  -6.637  -3.458   5.042
  477    HE1  PHE  88           HE2      PHE  88  -5.325   1.245   5.545
  478    HE2  PHE  88           HE1      PHE  88  -7.711  -1.737   3.663
  479    HZ   PHE  88           HZ       PHE  88  -7.180   0.615   4.011
  480    H    SER  89           HN       SER  89  -3.238  -3.534  10.127
  481    HA   SER  89           HA       SER  89  -2.662  -5.326  11.377
  482    HB2  SER  89           HB2      SER  89  -5.556  -6.146  11.009
  483    HB3  SER  89           HB3      SER  89  -4.448  -6.778  12.228
  484    HG   SER  89           HG       SER  89  -5.215  -5.197  13.388
  485    H    LEU  90           HN       LEU  90  -2.153  -5.424   8.591
  486    HA   LEU  90           HA       LEU  90  -2.756  -8.101   7.647
  487    HB2  LEU  90           HB2      LEU  90  -0.715  -6.251   6.439
  488    HB3  LEU  90           HB3      LEU  90  -1.696  -7.465   5.634
  489    HG   LEU  90           HG       LEU  90  -2.725  -4.839   6.746
  490   HD11  LEU  90          HD11      LEU  90  -2.224  -5.712   3.904
  491   HD12  LEU  90          HD12      LEU  90  -2.867  -4.153   4.429
  492   HD13  LEU  90          HD13      LEU  90  -1.206  -4.610   4.831
  493   HD21  LEU  90          HD21      LEU  90  -4.774  -5.425   5.513
  494   HD22  LEU  90          HD22      LEU  90  -4.064  -6.975   5.061
  495   HD23  LEU  90          HD23      LEU  90  -4.413  -6.625   6.753
  496    H    LYS  91           HN       LYS  91  -0.874  -6.963   9.924
  497    HA   LYS  91           HA       LYS  91   1.735  -7.489   9.657
  498    HB2  LYS  91           HB2      LYS  91   1.678  -8.012  12.131
  499    HB3  LYS  91           HB3      LYS  91   0.932  -6.503  11.627
  500    HG2  LYS  91           HG2      LYS  91  -1.252  -7.952  11.573
  501    HG3  LYS  91           HG3      LYS  91  -0.334  -8.990  12.663
  502    HD2  LYS  91           HD2      LYS  91  -0.837  -6.044  13.080
  503    HD3  LYS  91           HD3      LYS  91  -1.732  -7.349  13.860
  504    HE2  LYS  91           HE2      LYS  91   1.229  -6.848  14.123
  505    HE3  LYS  91           HE3      LYS  91   0.005  -6.412  15.315
  506    HZ1  LYS  91           HZ1      LYS  91  -0.552  -8.796  15.487
  507    HZ2  LYS  91           HZ2      LYS  91   1.039  -8.457  15.951
  508    HZ3  LYS  91           HZ3      LYS  91   0.730  -9.158  14.440
  509    H    GLY  92           HN       GLY  92   1.209  -9.462   8.045
  510    HA2  GLY  92           HA1      GLY  92   2.833 -11.475   9.350
  511    HA3  GLY  92           HA2      GLY  92   1.351 -12.022   8.554
  512    H    VAL  93           HN       VAL  93   3.326  -9.312   7.620
  513    HA   VAL  93           HA       VAL  93   3.470 -10.223   4.898
  514    HB   VAL  93           HB       VAL  93   3.688  -7.709   6.301
  515   HG11  VAL  93          HG11      VAL  93   5.839  -8.207   4.252
  516   HG12  VAL  93          HG12      VAL  93   5.423  -6.651   4.968
  517   HG13  VAL  93          HG13      VAL  93   6.099  -7.932   5.975
  518   HG21  VAL  93          HG21      VAL  93   3.039  -6.820   4.190
  519   HG22  VAL  93          HG22      VAL  93   3.577  -8.280   3.353
  520   HG23  VAL  93          HG23      VAL  93   2.175  -8.341   4.426
  521    H    ASP  94           HN       ASP  94   5.174 -11.182   3.940
  522    HA   ASP  94           HA       ASP  94   7.442 -11.905   5.558
  523    HB2  ASP  94           HB2      ASP  94   6.387 -12.645   2.896
  524    HB3  ASP  94           HB3      ASP  94   8.141 -12.638   3.025
  525    H    PHE  95           HN       PHE  95   8.603 -10.123   6.043
  526    HA   PHE  95           HA       PHE  95   8.942  -7.903   4.378
  527    HB2  PHE  95           HB2      PHE  95  10.651  -8.892   6.674
  528    HB3  PHE  95           HB3      PHE  95  10.828  -7.311   5.921
  529    HD1  PHE  95           HD2      PHE  95   8.630  -9.428   7.975
  530    HD2  PHE  95           HD1      PHE  95   9.335  -5.537   6.405
  531    HE1  PHE  95           HE2      PHE  95   6.938  -8.510   9.504
  532    HE2  PHE  95           HE1      PHE  95   7.649  -4.613   7.934
  533    HZ   PHE  95           HZ       PHE  95   6.447  -6.097   9.486
  534    H    GLN  96           HN       GLN  96  10.493 -10.953   4.481
  535    HA   GLN  96           HA       GLN  96  12.808 -10.191   2.960
  536    HB2  GLN  96           HB2      GLN  96  11.629 -12.872   3.663
  537    HB3  GLN  96           HB3      GLN  96  13.079 -12.694   2.689
  538    HG2  GLN  96           HG2      GLN  96  12.689 -11.807   5.537
  539    HG3  GLN  96           HG3      GLN  96  13.692 -13.137   4.967
  540   HE21  GLN  96          HE21      GLN  96  14.717 -11.627   2.669
  541   HE22  GLN  96          HE22      GLN  96  15.841 -10.488   3.323
  542    H    LYS  97           HN       LYS  97   9.586 -11.392   2.238
  543    HA   LYS  97           HA       LYS  97  10.188 -11.860  -0.540
  544    HB2  LYS  97           HB2      LYS  97   8.176 -12.722   1.071
  545    HB3  LYS  97           HB3      LYS  97   7.384 -11.344   0.314
  546    HG2  LYS  97           HG2      LYS  97   8.718 -13.540  -1.249
  547    HG3  LYS  97           HG3      LYS  97   7.015 -13.566  -0.794
  548    HD2  LYS  97           HD2      LYS  97   6.643 -11.490  -2.024
  549    HD3  LYS  97           HD3      LYS  97   8.355 -11.425  -2.444
  550    HE2  LYS  97           HE2      LYS  97   6.908 -12.300  -4.262
  551    HE3  LYS  97           HE3      LYS  97   8.177 -13.416  -3.760
  552    HZ1  LYS  97           HZ1      LYS  97   5.408 -13.577  -2.707
  553    HZ2  LYS  97           HZ2      LYS  97   6.633 -14.749  -2.619
  554    HZ3  LYS  97           HZ3      LYS  97   5.902 -14.397  -4.106
  555    H    PHE  98           HN       PHE  98   9.304  -9.327   1.558
  556    HA   PHE  98           HA       PHE  98   8.574  -7.468  -0.536
  557    HB2  PHE  98           HB2      PHE  98   8.611  -7.434   2.443
  558    HB3  PHE  98           HB3      PHE  98   8.669  -5.897   1.584
  559    HD1  PHE  98           HD2      PHE  98   6.698  -8.853   2.328
  560    HD2  PHE  98           HD1      PHE  98   6.768  -5.122   0.288
  561    HE1  PHE  98           HE2      PHE  98   4.260  -8.967   2.051
  562    HE2  PHE  98           HE1      PHE  98   4.331  -5.221   0.029
  563    HZ   PHE  98           HZ       PHE  98   3.087  -7.068   0.819
  564    H    CYS  99           HN       CYS  99  11.305  -8.713  -0.308
  565    HA   CYS  99           HA       CYS  99  13.110  -6.624   0.407
  566    HB2  CYS  99           HB2      CYS  99  13.648  -9.091   0.311
  567    HB3  CYS  99           HB3      CYS  99  13.589  -8.960  -1.444
  568    HG   CYS  99           HG       CYS  99  15.732  -6.954   0.290
  569    H    MET 100           HN       MET 100  11.941  -4.924  -0.830
  570    HA   MET 100           HA       MET 100  12.998  -4.860  -3.566
  571    HB2  MET 100           HB2      MET 100  10.486  -3.658  -2.441
  572    HB3  MET 100           HB3      MET 100  11.231  -3.004  -3.892
  573    HG2  MET 100           HG2      MET 100   9.662  -4.421  -4.761
  574    HG3  MET 100           HG3      MET 100  11.113  -5.440  -4.739
  575    HE1  MET 100           HE1      MET 100   7.788  -5.712  -1.554
  576    HE2  MET 100           HE2      MET 100   8.964  -4.399  -1.605
  577    HE3  MET 100           HE3      MET 100   7.771  -4.564  -2.894
  578    H    SER 101           HN       SER 101  14.512  -3.417  -3.941
  579    HA   SER 101           HA       SER 101  14.737  -0.993  -2.424
  580    HB2  SER 101           HB2      SER 101  16.083  -0.236  -4.451
  581    HB3  SER 101           HB3      SER 101  16.696  -1.695  -3.672
  582    HG   SER 101           HG       SER 101  16.194  -2.836  -5.383
  583    H    GLY 102           HN       GLY 102  13.883   1.100  -3.267
  584    HA2  GLY 102           HA1      GLY 102  11.200   0.860  -3.863
  585    HA3  GLY 102           HA2      GLY 102  12.129   2.321  -4.088
  586    H    ALA 103           HN       ALA 103  13.867   1.356  -6.163
  587    HA   ALA 103           HA       ALA 103  12.315   1.706  -8.466
  588    HB1  ALA 103           HB1      ALA 103  14.282   0.911  -9.694
  589    HB2  ALA 103           HB2      ALA 103  14.735   2.046  -8.424
  590    HB3  ALA 103           HB3      ALA 103  14.983   0.317  -8.189
  591    H    ALA 104           HN       ALA 104  13.351  -1.174  -6.762
  592    HA   ALA 104           HA       ALA 104  12.204  -3.050  -8.575
  593    HB1  ALA 104           HB1      ALA 104  12.955  -3.369  -5.666
  594    HB2  ALA 104           HB2      ALA 104  12.598  -4.680  -6.796
  595    HB3  ALA 104           HB3      ALA 104  14.018  -3.665  -7.045
  596    H    LEU 105           HN       LEU 105  11.174  -1.641  -5.410
  597    HA   LEU 105           HA       LEU 105   8.781  -2.743  -5.021
  598    HB2  LEU 105           HB2      LEU 105   9.763  -1.010  -3.587
  599    HB3  LEU 105           HB3      LEU 105   9.423   0.212  -4.810
  600    HG   LEU 105           HG       LEU 105   7.004  -0.381  -4.603
  601   HD11  LEU 105          HD11      LEU 105   8.048  -2.000  -2.301
  602   HD12  LEU 105          HD12      LEU 105   6.356  -1.518  -2.474
  603   HD13  LEU 105          HD13      LEU 105   7.106  -2.561  -3.686
  604   HD21  LEU 105          HD21      LEU 105   8.331   0.602  -2.094
  605   HD22  LEU 105          HD22      LEU 105   7.948   1.576  -3.515
  606   HD23  LEU 105          HD23      LEU 105   6.649   0.861  -2.564
  607    H    CYS 106           HN       CYS 106   9.321   0.084  -6.956
  608    HA   CYS 106           HA       CYS 106   6.779   0.348  -7.983
  609    HB2  CYS 106           HB2      CYS 106   8.558   2.056  -8.026
  610    HB3  CYS 106           HB3      CYS 106   9.395   1.124  -9.258
  611    HG   CYS 106           HG       CYS 106   8.320   2.446 -11.176
  612    H    ALA 107           HN       ALA 107   9.596  -1.304  -9.403
  613    HA   ALA 107           HA       ALA 107   8.442  -1.756 -11.905
  614    HB1  ALA 107           HB1      ALA 107  10.670  -3.290 -10.596
  615    HB2  ALA 107           HB2      ALA 107  10.319  -3.207 -12.322
  616    HB3  ALA 107           HB3      ALA 107  10.846  -1.762 -11.459
  617    H    LEU 108           HN       LEU 108   7.992  -3.573  -8.953
  618    HA   LEU 108           HA       LEU 108   7.568  -6.093 -10.088
  619    HB2  LEU 108           HB2      LEU 108   6.075  -6.459  -7.995
  620    HB3  LEU 108           HB3      LEU 108   7.801  -6.250  -7.824
  621    HG   LEU 108           HG       LEU 108   7.373  -3.855  -7.223
  622   HD11  LEU 108          HD11      LEU 108   4.498  -4.767  -7.212
  623   HD12  LEU 108          HD12      LEU 108   5.081  -3.326  -6.368
  624   HD13  LEU 108          HD13      LEU 108   5.202  -3.432  -8.124
  625   HD21  LEU 108          HD21      LEU 108   6.671  -4.403  -4.947
  626   HD22  LEU 108          HD22      LEU 108   6.170  -6.002  -5.499
  627   HD23  LEU 108          HD23      LEU 108   7.870  -5.536  -5.573
  628    H    GLY 109           HN       GLY 109   5.300  -3.408  -9.735
  629    HA2  GLY 109           HA1      GLY 109   3.160  -3.137 -10.569
  630    HA3  GLY 109           HA2      GLY 109   3.448  -4.545 -11.586
  631    H    LYS 110           HN       LYS 110   0.937  -4.151 -10.416
  632    HA   LYS 110           HA       LYS 110   0.600  -5.417  -7.951
  633    HB2  LYS 110           HB2      LYS 110  -1.653  -5.350  -8.325
  634    HB3  LYS 110           HB3      LYS 110  -1.126  -4.182  -9.522
  635    HG2  LYS 110           HG2      LYS 110  -2.263  -5.335 -11.029
  636    HG3  LYS 110           HG3      LYS 110  -1.092  -6.642 -10.837
  637    HD2  LYS 110           HD2      LYS 110  -3.155  -6.529  -8.761
  638    HD3  LYS 110           HD3      LYS 110  -3.773  -6.859 -10.379
  639    HE2  LYS 110           HE2      LYS 110  -1.464  -8.397  -9.200
  640    HE3  LYS 110           HE3      LYS 110  -3.139  -8.871  -8.920
  641    HZ1  LYS 110           HZ1      LYS 110  -2.099 -10.046 -10.790
  642    HZ2  LYS 110           HZ2      LYS 110  -1.895  -8.574 -11.611
  643    HZ3  LYS 110           HZ3      LYS 110  -3.453  -9.150 -11.273
  644    H    GLU 111           HN       GLU 111   0.918  -6.776 -11.176
  645    HA   GLU 111           HA       GLU 111   0.364  -9.388 -10.911
  646    HB2  GLU 111           HB2      GLU 111   2.979  -8.454 -12.101
  647    HB3  GLU 111           HB3      GLU 111   2.045  -9.869 -12.557
  648    HG2  GLU 111           HG2      GLU 111   1.265  -6.995 -12.997
  649    HG3  GLU 111           HG3      GLU 111   1.822  -8.133 -14.218
  650    H    CYS 112           HN       CYS 112   3.488  -7.974  -9.964
  651    HA   CYS 112           HA       CYS 112   4.328 -10.440  -8.740
  652    HB2  CYS 112           HB2      CYS 112   5.955  -8.990  -9.884
  653    HB3  CYS 112           HB3      CYS 112   5.636  -7.715  -8.714
  654    HG   CYS 112           HG       CYS 112   7.751 -10.223  -8.538
  655    H    PHE 113           HN       PHE 113   3.533  -7.151  -7.636
  656    HA   PHE 113           HA       PHE 113   4.168  -7.448  -4.991
  657    HB2  PHE 113           HB2      PHE 113   3.392  -5.355  -6.339
  658    HB3  PHE 113           HB3      PHE 113   1.793  -5.785  -5.749
  659    HD1  PHE 113           HD2      PHE 113   1.594  -6.194  -3.223
  660    HD2  PHE 113           HD1      PHE 113   4.794  -4.003  -5.011
  661    HE1  PHE 113           HE2      PHE 113   2.093  -5.165  -1.062
  662    HE2  PHE 113           HE1      PHE 113   5.291  -2.989  -2.836
  663    HZ   PHE 113           HZ       PHE 113   3.954  -3.576  -0.859
  664    H    LEU 114           HN       LEU 114   1.028  -8.244  -6.486
  665    HA   LEU 114           HA       LEU 114  -0.110  -8.742  -3.897
  666    HB2  LEU 114           HB2      LEU 114  -1.383  -9.779  -6.382
  667    HB3  LEU 114           HB3      LEU 114  -2.128  -9.200  -4.902
  668    HG   LEU 114           HG       LEU 114  -1.128  -7.667  -7.252
  669   HD11  LEU 114          HD11      LEU 114  -3.213  -6.410  -6.782
  670   HD12  LEU 114          HD12      LEU 114  -3.463  -8.123  -7.123
  671   HD13  LEU 114          HD13      LEU 114  -3.535  -7.535  -5.463
  672   HD21  LEU 114          HD21      LEU 114  -1.029  -5.604  -6.051
  673   HD22  LEU 114          HD22      LEU 114  -1.453  -6.412  -4.541
  674   HD23  LEU 114          HD23      LEU 114   0.100  -6.744  -5.307
  675    H    GLU 115           HN       GLU 115   1.537 -10.607  -6.266
  676    HA   GLU 115           HA       GLU 115   1.011 -13.137  -5.006
  677    HB2  GLU 115           HB2      GLU 115   3.101 -12.245  -6.997
  678    HB3  GLU 115           HB3      GLU 115   2.945 -13.899  -6.423
  679    HG2  GLU 115           HG2      GLU 115   0.795 -12.377  -7.874
  680    HG3  GLU 115           HG3      GLU 115   1.907 -13.522  -8.625
  681    H    LEU 116           HN       LEU 116   2.774 -10.432  -4.356
  682    HA   LEU 116           HA       LEU 116   5.076 -11.724  -3.152
  683    HB2  LEU 116           HB2      LEU 116   5.806  -9.972  -4.379
  684    HB3  LEU 116           HB3      LEU 116   4.332  -9.050  -4.153
  685    HG   LEU 116           HG       LEU 116   6.019  -9.311  -1.763
  686   HD11  LEU 116          HD11      LEU 116   7.596  -7.607  -2.549
  687   HD12  LEU 116          HD12      LEU 116   7.739  -9.102  -3.476
  688   HD13  LEU 116          HD13      LEU 116   6.892  -7.717  -4.164
  689   HD21  LEU 116          HD21      LEU 116   4.731  -6.984  -3.159
  690   HD22  LEU 116          HD22      LEU 116   3.985  -7.948  -1.882
  691   HD23  LEU 116          HD23      LEU 116   5.421  -6.982  -1.536
  692    H    ALA 117           HN       ALA 117   2.127 -10.173  -2.225
  693    HA   ALA 117           HA       ALA 117   2.763 -10.783   0.598
  694    HB1  ALA 117           HB1      ALA 117   0.954  -8.558  -0.389
  695    HB2  ALA 117           HB2      ALA 117   1.233  -8.979   1.306
  696    HB3  ALA 117           HB3      ALA 117   2.552  -8.339   0.317
  697    HA   PRO 118           HA       PRO 118  -1.295 -12.982   0.736
  698    HB2  PRO 118           HB2      PRO 118  -2.326 -10.601   2.212
  699    HB3  PRO 118           HB3      PRO 118  -2.575 -12.319   2.548
  700    HG2  PRO 118           HG2      PRO 118  -0.846 -10.882   3.989
  701    HG3  PRO 118           HG3      PRO 118  -0.490 -12.561   3.545
  702    HD2  PRO 118           HD2      PRO 118   0.654 -10.036   2.481
  703    HD3  PRO 118           HD3      PRO 118   1.385 -11.649   2.599
  704    H    ASP 119           HN       ASP 119  -3.013 -12.895  -0.671
  705    HA   ASP 119           HA       ASP 119  -2.682 -11.389  -2.900
  706    HB2  ASP 119           HB2      ASP 119  -4.733 -12.211  -3.755
  707    HB3  ASP 119           HB3      ASP 119  -4.052 -13.467  -2.731
  708    H    PHE 120           HN       PHE 120  -4.649 -10.336  -0.110
  709    HA   PHE 120           HA       PHE 120  -5.582  -8.138  -1.769
  710    HB2  PHE 120           HB2      PHE 120  -6.868  -9.530   0.369
  711    HB3  PHE 120           HB3      PHE 120  -6.742  -7.810   0.749
  712    HD1  PHE 120           HD1      PHE 120  -7.510  -6.148  -1.002
  713    HD2  PHE 120           HD2      PHE 120  -8.495 -10.286  -1.142
  714    HE1  PHE 120           HE1      PHE 120  -9.357  -5.647  -2.544
  715    HE2  PHE 120           HE2      PHE 120 -10.349  -9.794  -2.682
  716    HZ   PHE 120           HZ       PHE 120 -10.780  -7.473  -3.386
  717    H    VAL 121           HN       VAL 121  -3.467  -8.947   0.727
  718    HA   VAL 121           HA       VAL 121  -3.026  -6.336   1.750
  719    HB   VAL 121           HB       VAL 121  -1.348  -8.839   1.820
  720   HG11  VAL 121          HG11      VAL 121  -0.196  -7.730   3.723
  721   HG12  VAL 121          HG12      VAL 121   0.095  -6.939   2.171
  722   HG13  VAL 121          HG13      VAL 121  -1.047  -6.236   3.316
  723   HG21  VAL 121          HG21      VAL 121  -2.330  -9.164   3.967
  724   HG22  VAL 121          HG22      VAL 121  -3.113  -7.578   3.892
  725   HG23  VAL 121          HG23      VAL 121  -3.628  -8.858   2.790
  726    H    GLY 122           HN       GLY 122  -1.499  -8.373  -0.702
  727    HA2  GLY 122           HA1      GLY 122   0.504  -6.633  -1.521
  728    HA3  GLY 122           HA2      GLY 122  -0.353  -7.758  -2.568
  729    H    ASP 123           HN       ASP 123  -2.955  -6.717  -2.373
  730    HA   ASP 123           HA       ASP 123  -2.738  -4.615  -4.295
  731    HB2  ASP 123           HB2      ASP 123  -4.468  -6.291  -4.552
  732    HB3  ASP 123           HB3      ASP 123  -5.140  -5.899  -2.970
  733    H    ILE 124           HN       ILE 124  -3.866  -4.878  -0.964
  734    HA   ILE 124           HA       ILE 124  -4.569  -2.249  -0.502
  735    HB   ILE 124           HB       ILE 124  -3.520  -4.450   1.227
  736   HG12  ILE 124          HG12      ILE 124  -6.091  -2.857   1.168
  737   HG13  ILE 124          HG13      ILE 124  -5.846  -4.450   0.455
  738   HG21  ILE 124          HG21      ILE 124  -2.536  -2.662   2.405
  739   HG22  ILE 124          HG22      ILE 124  -3.885  -1.578   2.062
  740   HG23  ILE 124          HG23      ILE 124  -4.093  -2.902   3.210
  741   HD11  ILE 124          HD11      ILE 124  -7.030  -4.573   2.580
  742   HD12  ILE 124          HD12      ILE 124  -5.469  -5.392   2.666
  743   HD13  ILE 124          HD13      ILE 124  -5.666  -3.792   3.383
  744    H    LEU 125           HN       LEU 125  -1.376  -3.688   0.207
  745    HA   LEU 125           HA       LEU 125  -0.042  -1.271   0.518
  746    HB2  LEU 125           HB2      LEU 125   0.695  -4.069  -0.052
  747    HB3  LEU 125           HB3      LEU 125   1.902  -2.851  -0.444
  748    HG   LEU 125           HG       LEU 125   0.583  -3.121   2.243
  749   HD11  LEU 125          HD11      LEU 125   1.925  -5.095   1.749
  750   HD12  LEU 125          HD12      LEU 125   3.291  -4.069   1.313
  751   HD13  LEU 125          HD13      LEU 125   2.705  -4.097   2.976
  752   HD21  LEU 125          HD21      LEU 125   2.396  -1.633   2.958
  753   HD22  LEU 125          HD22      LEU 125   2.969  -1.537   1.290
  754   HD23  LEU 125          HD23      LEU 125   1.388  -0.881   1.720
  755    H    TRP 126           HN       TRP 126  -0.706  -3.160  -2.394
  756    HA   TRP 126           HA       TRP 126   0.884  -1.657  -4.156
  757    HB2  TRP 126           HB2      TRP 126   0.053  -3.781  -4.917
  758    HB3  TRP 126           HB3      TRP 126  -1.620  -3.265  -4.698
  759    HD1  TRP 126           HD1      TRP 126  -2.768  -2.470  -6.822
  760    HE1  TRP 126           HE1      TRP 126  -1.996  -1.461  -9.085
  761    HE3  TRP 126           HE3      TRP 126   2.258  -2.363  -5.982
  762    HZ2  TRP 126           HZ2      TRP 126   0.454  -0.744 -10.320
  763    HZ3  TRP 126           HZ3      TRP 126   3.749  -1.520  -7.744
  764    HH2  TRP 126           HH2      TRP 126   2.861  -0.730  -9.874
  765    H    GLU 127           HN       GLU 127  -2.506  -1.217  -3.137
  766    HA   GLU 127           HA       GLU 127  -3.083   0.990  -4.725
  767    HB2  GLU 127           HB2      GLU 127  -4.093  -0.028  -2.153
  768    HB3  GLU 127           HB3      GLU 127  -4.306   1.698  -2.406
  769    HG2  GLU 127           HG2      GLU 127  -5.262  -0.486  -4.228
  770    HG3  GLU 127           HG3      GLU 127  -6.252   0.464  -3.118
  771    H    HIS 128           HN       HIS 128  -1.824   1.070  -1.351
  772    HA   HIS 128           HA       HIS 128  -1.277   3.834  -1.487
  773    HB2  HIS 128           HB2      HIS 128  -1.251   2.367   0.626
  774    HB3  HIS 128           HB3      HIS 128   0.398   1.946   0.170
  775    HD1  HIS 128           HD1      HIS 128   0.611   3.238   2.683
  776    HD2  HIS 128           HD2      HIS 128  -0.004   5.559  -0.717
  777    HE1  HIS 128           HE1      HIS 128   1.290   5.574   3.329
  778    HE2  HIS 128           HE2      HIS 128   0.807   6.984   1.296
  779    H    LEU 129           HN       LEU 129   0.631   1.076  -2.582
  780    HA   LEU 129           HA       LEU 129   2.996   2.459  -3.133
  781    HB2  LEU 129           HB2      LEU 129   2.755   0.008  -3.311
  782    HB3  LEU 129           HB3      LEU 129   1.697   0.214  -4.692
  783    HG   LEU 129           HG       LEU 129   3.434   0.738  -6.129
  784   HD11  LEU 129          HD11      LEU 129   5.599   1.592  -5.421
  785   HD12  LEU 129          HD12      LEU 129   4.299   2.603  -4.785
  786   HD13  LEU 129          HD13      LEU 129   5.119   1.452  -3.729
  787   HD21  LEU 129          HD21      LEU 129   5.230  -0.840  -5.733
  788   HD22  LEU 129          HD22      LEU 129   4.782  -0.957  -4.029
  789   HD23  LEU 129          HD23      LEU 129   3.685  -1.557  -5.273
  790    H    GLU 130           HN       GLU 130   0.083   1.923  -5.044
  791    HA   GLU 130           HA       GLU 130   0.969   3.445  -7.197
  792    HB2  GLU 130           HB2      GLU 130  -0.930   1.743  -7.209
  793    HB3  GLU 130           HB3      GLU 130  -1.937   2.992  -6.484
  794    HG2  GLU 130           HG2      GLU 130  -1.291   4.442  -8.478
  795    HG3  GLU 130           HG3      GLU 130  -0.667   2.964  -9.207
  796    H    ILE 131           HN       ILE 131  -0.921   4.157  -4.372
  797    HA   ILE 131           HA       ILE 131  -1.646   6.783  -4.905
  798    HB   ILE 131           HB       ILE 131  -1.407   5.125  -2.467
  799   HG12  ILE 131          HG12      ILE 131  -3.764   5.709  -2.209
  800   HG13  ILE 131          HG13      ILE 131  -3.645   6.876  -3.519
  801   HG21  ILE 131          HG21      ILE 131  -2.157   7.076  -1.074
  802   HG22  ILE 131          HG22      ILE 131  -0.474   7.151  -1.607
  803   HG23  ILE 131          HG23      ILE 131  -1.700   8.123  -2.421
  804   HD11  ILE 131          HD11      ILE 131  -3.551   3.879  -3.689
  805   HD12  ILE 131          HD12      ILE 131  -4.748   4.977  -4.375
  806   HD13  ILE 131          HD13      ILE 131  -3.113   4.936  -5.035
  807    H    LEU 132           HN       LEU 132   1.315   5.545  -3.313
  808    HA   LEU 132           HA       LEU 132   2.449   8.004  -2.649
  809    HB2  LEU 132           HB2      LEU 132   4.049   5.713  -3.755
  810    HB3  LEU 132           HB3      LEU 132   4.617   6.990  -2.701
  811    HG   LEU 132           HG       LEU 132   2.442   5.350  -1.595
  812   HD11  LEU 132          HD11      LEU 132   3.952   3.474  -1.132
  813   HD12  LEU 132          HD12      LEU 132   3.681   3.688  -2.862
  814   HD13  LEU 132          HD13      LEU 132   5.193   4.229  -2.133
  815   HD21  LEU 132          HD21      LEU 132   3.936   5.377   0.387
  816   HD22  LEU 132          HD22      LEU 132   5.157   6.228  -0.559
  817   HD23  LEU 132          HD23      LEU 132   3.610   7.005  -0.217
  818    H    GLN 133           HN       GLN 133   2.251   6.286  -5.619
  819    HA   GLN 133           HA       GLN 133   3.932   8.047  -7.129
  820    HB2  GLN 133           HB2      GLN 133   1.933   5.941  -7.968
  821    HB3  GLN 133           HB3      GLN 133   2.953   6.832  -9.091
  822    HG2  GLN 133           HG2      GLN 133   4.893   5.809  -8.333
  823    HG3  GLN 133           HG3      GLN 133   4.144   5.286  -6.825
  824   HE21  GLN 133          HE21      GLN 133   2.863   3.501  -6.792
  825   HE22  GLN 133          HE22      GLN 133   2.836   2.340  -8.084
  826    H    LYS 134           HN       LYS 134   0.413   7.633  -6.601
  827    HA   LYS 134           HA       LYS 134  -0.437   9.552  -8.395
  828    HB2  LYS 134           HB2      LYS 134  -2.307   8.513  -7.793
  829    HB3  LYS 134           HB3      LYS 134  -1.512   7.811  -6.401
  830    HG2  LYS 134           HG2      LYS 134  -2.596  10.593  -6.262
  831    HG3  LYS 134           HG3      LYS 134  -3.666   9.203  -6.098
  832    HD2  LYS 134           HD2      LYS 134  -1.964   8.401  -4.312
  833    HD3  LYS 134           HD3      LYS 134  -1.413  10.074  -4.325
  834    HE2  LYS 134           HE2      LYS 134  -4.265   9.227  -3.842
  835    HE3  LYS 134           HE3      LYS 134  -3.101   9.575  -2.567
  836    HZ1  LYS 134           HZ1      LYS 134  -4.122  11.478  -4.606
  837    HZ2  LYS 134           HZ2      LYS 134  -2.892  11.833  -3.491
  838    HZ3  LYS 134           HZ3      LYS 134  -4.460  11.482  -2.945
  839    H    GLU 135           HN       GLU 135   0.879   9.987  -5.154
  840    HA   GLU 135           HA       GLU 135  -0.007  12.624  -4.793
  841    HB2  GLU 135           HB2      GLU 135   2.383  11.122  -3.771
  842    HB3  GLU 135           HB3      GLU 135   2.101  12.807  -3.348
  843    HG2  GLU 135           HG2      GLU 135   0.254  10.497  -2.799
  844    HG3  GLU 135           HG3      GLU 135   1.249  11.352  -1.618
  845    H    ASP 136           HN       ASP 136   2.241  11.332  -6.986
  846    HA   ASP 136           HA       ASP 136   2.777  14.037  -7.966
  847    HB2  ASP 136           HB2      ASP 136   4.742  13.217  -6.592
  848    HB3  ASP 136           HB3      ASP 136   4.948  11.935  -7.778
  849    H    VAL 137           HN       VAL 137   0.882  12.179  -8.789
  850    HA   VAL 137           HA       VAL 137   1.918  10.473 -10.830
  851    HB   VAL 137           HB       VAL 137  -0.043   9.767  -9.608
  852   HG11  VAL 137          HG11      VAL 137  -1.050  11.906  -9.107
  853   HG12  VAL 137          HG12      VAL 137  -1.455  12.144 -10.809
  854   HG13  VAL 137          HG13      VAL 137  -2.222  10.847  -9.890
  855   HG21  VAL 137          HG21      VAL 137  -0.672  10.320 -12.505
  856   HG22  VAL 137          HG22      VAL 137   0.198   8.925 -11.866
  857   HG23  VAL 137          HG23      VAL 137  -1.508   9.152 -11.482
  858    H    LYS 138           HN       LYS 138   2.295  10.888 -12.839
  859    HA   LYS 138           HA       LYS 138   0.943  13.066 -14.209
  860    HB2  LYS 138           HB2      LYS 138   3.238  13.777 -15.122
  861    HB3  LYS 138           HB3      LYS 138   2.831  14.270 -13.484
  862    HG2  LYS 138           HG2      LYS 138   4.314  12.777 -12.522
  863    HG3  LYS 138           HG3      LYS 138   4.364  11.747 -13.953
  864    HD2  LYS 138           HD2      LYS 138   5.541  14.516 -13.722
  865    HD3  LYS 138           HD3      LYS 138   6.445  13.001 -13.678
  866    HE2  LYS 138           HE2      LYS 138   4.869  14.130 -15.987
  867    HE3  LYS 138           HE3      LYS 138   6.617  13.923 -15.886
  868    HZ1  LYS 138           HZ1      LYS 138   6.227  11.498 -15.729
  869    HZ2  LYS 138           HZ2      LYS 138   5.709  12.165 -17.199
  870    HZ3  LYS 138           HZ3      LYS 138   4.571  11.766 -16.004
  Start of MODEL    7
    1    H1   MET  29           H1       MET  29 -23.702 -24.306  -6.708
    2    H2   MET  29           H2       MET  29 -24.363 -23.280  -7.888
    3    H3   MET  29           H3       MET  29 -24.463 -22.865  -6.247
    4    HA   MET  29           HA       MET  29 -21.943 -23.139  -7.774
    5    HB2  MET  29           HB2      MET  29 -23.244 -21.206  -8.546
    6    HB3  MET  29           HB3      MET  29 -23.419 -20.648  -6.886
    7    HG2  MET  29           HG2      MET  29 -21.703 -19.402  -8.086
    8    HG3  MET  29           HG3      MET  29 -21.026 -20.298  -6.727
    9    HE1  MET  29           HE1      MET  29 -19.238 -19.051  -9.027
   10    HE2  MET  29           HE2      MET  29 -18.578 -19.978  -7.682
   11    HE3  MET  29           HE3      MET  29 -18.112 -20.373  -9.337
   12    H    GLU  30           HN       GLU  30 -23.459 -21.719  -4.869
   13    HA   GLU  30           HA       GLU  30 -21.397 -22.885  -3.207
   14    HB2  GLU  30           HB2      GLU  30 -20.390 -20.741  -3.895
   15    HB3  GLU  30           HB3      GLU  30 -21.805 -19.885  -3.304
   16    HG2  GLU  30           HG2      GLU  30 -19.907 -19.764  -1.756
   17    HG3  GLU  30           HG3      GLU  30 -21.321 -20.535  -1.041
   18    H    CYS  31           HN       CYS  31 -22.001 -23.003  -1.019
   19    HA   CYS  31           HA       CYS  31 -24.692 -22.041  -0.361
   20    HB2  CYS  31           HB2      CYS  31 -25.182 -24.299   0.665
   21    HB3  CYS  31           HB3      CYS  31 -25.134 -24.262  -1.095
   22    HG   CYS  31           HG       CYS  31 -22.860 -25.639  -1.427
   23    H    ALA  32           HN       ALA  32 -21.464 -22.563   0.538
   24    HA   ALA  32           HA       ALA  32 -21.974 -22.603   3.394
   25    HB1  ALA  32           HB1      ALA  32 -19.381 -22.354   1.870
   26    HB2  ALA  32           HB2      ALA  32 -19.531 -22.565   3.614
   27    HB3  ALA  32           HB3      ALA  32 -20.069 -23.841   2.523
   28    H    ASP  33           HN       ASP  33 -19.928 -20.460   1.434
   29    HA   ASP  33           HA       ASP  33 -21.191 -18.139   2.708
   30    HB2  ASP  33           HB2      ASP  33 -19.075 -18.524   3.904
   31    HB3  ASP  33           HB3      ASP  33 -18.201 -18.536   2.377
   32    H    VAL  34           HN       VAL  34 -22.305 -17.582   0.903
   33    HA   VAL  34           HA       VAL  34 -21.101 -17.646  -1.704
   34    HB   VAL  34           HB       VAL  34 -23.442 -18.163  -1.541
   35   HG11  VAL  34          HG11      VAL  34 -25.123 -16.489  -0.890
   36   HG12  VAL  34          HG12      VAL  34 -24.047 -16.916   0.438
   37   HG13  VAL  34          HG13      VAL  34 -23.826 -15.391  -0.420
   38   HG21  VAL  34          HG21      VAL  34 -24.374 -16.629  -3.213
   39   HG22  VAL  34          HG22      VAL  34 -23.048 -15.507  -2.914
   40   HG23  VAL  34          HG23      VAL  34 -22.718 -17.097  -3.599
   41    HA   PRO  35           HA       PRO  35 -19.295 -13.574  -1.158
   42    HB2  PRO  35           HB2      PRO  35 -18.269 -14.070  -3.866
   43    HB3  PRO  35           HB3      PRO  35 -17.383 -13.773  -2.367
   44    HG2  PRO  35           HG2      PRO  35 -17.402 -16.191  -3.502
   45    HG3  PRO  35           HG3      PRO  35 -17.430 -15.991  -1.740
   46    HD2  PRO  35           HD2      PRO  35 -19.706 -16.582  -3.605
   47    HD3  PRO  35           HD3      PRO  35 -19.308 -17.337  -2.044
   48    H    LEU  36           HN       LEU  36 -20.337 -11.791  -1.522
   49    HA   LEU  36           HA       LEU  36 -21.733 -11.402  -4.085
   50    HB2  LEU  36           HB2      LEU  36 -22.624 -10.512  -1.335
   51    HB3  LEU  36           HB3      LEU  36 -23.422 -10.082  -2.835
   52    HG   LEU  36           HG       LEU  36 -23.169 -12.889  -1.746
   53   HD11  LEU  36          HD11      LEU  36 -25.567 -11.066  -1.889
   54   HD12  LEU  36          HD12      LEU  36 -25.549 -12.728  -1.298
   55   HD13  LEU  36          HD13      LEU  36 -24.676 -11.469  -0.420
   56   HD21  LEU  36          HD21      LEU  36 -24.680 -11.816  -4.124
   57   HD22  LEU  36          HD22      LEU  36 -23.233 -12.824  -4.184
   58   HD23  LEU  36          HD23      LEU  36 -24.736 -13.475  -3.525
   59    H    LEU  37           HN       LEU  37 -22.234  -8.948  -4.360
   60    HA   LEU  37           HA       LEU  37 -19.730  -7.564  -4.185
   61    HB2  LEU  37           HB2      LEU  37 -22.443  -6.725  -5.198
   62    HB3  LEU  37           HB3      LEU  37 -21.069  -5.642  -5.174
   63    HG   LEU  37           HG       LEU  37 -21.255  -6.478  -7.383
   64   HD11  LEU  37          HD11      LEU  37 -19.148  -7.689  -7.695
   65   HD12  LEU  37          HD12      LEU  37 -18.984  -6.323  -6.591
   66   HD13  LEU  37          HD13      LEU  37 -19.063  -7.967  -5.955
   67   HD21  LEU  37          HD21      LEU  37 -21.274  -8.857  -7.930
   68   HD22  LEU  37          HD22      LEU  37 -21.309  -9.253  -6.211
   69   HD23  LEU  37          HD23      LEU  37 -22.667  -8.405  -6.950
   70    H    THR  38           HN       THR  38 -19.363  -7.438  -2.002
   71    HA   THR  38           HA       THR  38 -20.906  -5.398  -0.546
   72    HB   THR  38           HB       THR  38 -20.377  -6.714   1.540
   73    HG1  THR  38           HG1      THR  38 -19.706  -8.837   1.317
   74   HG21  THR  38          HG21      THR  38 -22.182  -8.363   1.233
   75   HG22  THR  38          HG22      THR  38 -22.131  -8.077  -0.508
   76   HG23  THR  38          HG23      THR  38 -22.616  -6.780   0.583
   77    HA   PRO  39           HA       PRO  39 -16.974  -3.562   0.455
   78    HB2  PRO  39           HB2      PRO  39 -18.050  -3.209   3.194
   79    HB3  PRO  39           HB3      PRO  39 -17.464  -1.996   2.054
   80    HG2  PRO  39           HG2      PRO  39 -20.062  -2.228   2.563
   81    HG3  PRO  39           HG3      PRO  39 -19.480  -1.900   0.915
   82    HD2  PRO  39           HD2      PRO  39 -20.389  -4.494   2.122
   83    HD3  PRO  39           HD3      PRO  39 -20.771  -3.802   0.529
   84    H    SER  40           HN       SER  40 -16.493  -6.112   0.395
   85    HA   SER  40           HA       SER  40 -15.757  -7.048   3.053
   86    HB2  SER  40           HB2      SER  40 -15.093  -9.132   1.673
   87    HB3  SER  40           HB3      SER  40 -16.809  -8.746   1.821
   88    HG   SER  40           HG       SER  40 -16.721  -8.870  -0.288
   89    H    SER  41           HN       SER  41 -14.107  -6.970  -0.141
   90    HA   SER  41           HA       SER  41 -11.582  -6.862   1.292
   91    HB2  SER  41           HB2      SER  41 -12.055  -7.025  -1.687
   92    HB3  SER  41           HB3      SER  41 -10.543  -7.338  -0.836
   93    HG   SER  41           HG       SER  41 -12.324  -9.100  -1.447
   94    H    LYS  42           HN       LYS  42 -12.894  -5.005  -1.518
   95    HA   LYS  42           HA       LYS  42 -10.660  -3.206  -1.047
   96    HB2  LYS  42           HB2      LYS  42 -11.142  -4.149  -3.318
   97    HB3  LYS  42           HB3      LYS  42 -12.544  -3.088  -3.383
   98    HG2  LYS  42           HG2      LYS  42 -11.261  -1.169  -3.482
   99    HG3  LYS  42           HG3      LYS  42  -9.828  -1.949  -2.788
  100    HD2  LYS  42           HD2      LYS  42  -9.751  -3.351  -4.903
  101    HD3  LYS  42           HD3      LYS  42 -10.994  -2.285  -5.560
  102    HE2  LYS  42           HE2      LYS  42  -8.816  -1.563  -6.310
  103    HE3  LYS  42           HE3      LYS  42  -9.503  -0.364  -5.214
  104    HZ1  LYS  42           HZ1      LYS  42  -8.115  -1.205  -3.448
  105    HZ2  LYS  42           HZ2      LYS  42  -7.155  -0.796  -4.775
  106    HZ3  LYS  42           HZ3      LYS  42  -7.490  -2.424  -4.449
  107    H    GLU  43           HN       GLU  43 -14.139  -3.078  -0.694
  108    HA   GLU  43           HA       GLU  43 -14.247  -0.233  -0.680
  109    HB2  GLU  43           HB2      GLU  43 -16.259  -1.615  -1.005
  110    HB3  GLU  43           HB3      GLU  43 -16.108  -2.216   0.638
  111    HG2  GLU  43           HG2      GLU  43 -17.814  -0.499   0.476
  112    HG3  GLU  43           HG3      GLU  43 -16.487   0.018   1.515
  113    H    MET  44           HN       MET  44 -13.473  -2.704   1.667
  114    HA   MET  44           HA       MET  44 -13.418  -1.120   3.976
  115    HB2  MET  44           HB2      MET  44 -11.710  -3.495   3.213
  116    HB3  MET  44           HB3      MET  44 -11.739  -2.778   4.817
  117    HG2  MET  44           HG2      MET  44 -14.081  -4.054   3.416
  118    HG3  MET  44           HG3      MET  44 -13.099  -4.805   4.668
  119    HE1  MET  44           HE1      MET  44 -16.508  -1.806   5.209
  120    HE2  MET  44           HE2      MET  44 -15.299  -1.562   3.951
  121    HE3  MET  44           HE3      MET  44 -16.311  -3.008   3.931
  122    H    MET  45           HN       MET  45 -10.729  -1.967   1.756
  123    HA   MET  45           HA       MET  45  -8.921  -0.143   2.913
  124    HB2  MET  45           HB2      MET  45  -7.513  -0.468   1.008
  125    HB3  MET  45           HB3      MET  45  -8.244  -2.019   1.423
  126    HG2  MET  45           HG2      MET  45  -9.979  -1.493  -0.356
  127    HG3  MET  45           HG3      MET  45  -8.908  -0.184  -0.856
  128    HE1  MET  45           HE1      MET  45  -6.064  -1.657  -0.203
  129    HE2  MET  45           HE2      MET  45  -5.686  -2.156  -1.852
  130    HE3  MET  45           HE3      MET  45  -6.404  -0.573  -1.550
  131    H    SER  46           HN       SER  46 -11.327   0.272   0.367
  132    HA   SER  46           HA       SER  46 -10.477   2.748  -0.557
  133    HB2  SER  46           HB2      SER  46 -12.337   1.304  -1.495
  134    HB3  SER  46           HB3      SER  46 -13.380   1.976  -0.240
  135    HG   SER  46           HG       SER  46 -13.688   3.348  -1.879
  136    H    GLN  47           HN       GLN  47 -12.704   2.024   2.144
  137    HA   GLN  47           HA       GLN  47 -12.724   4.764   2.951
  138    HB2  GLN  47           HB2      GLN  47 -13.953   3.977   4.937
  139    HB3  GLN  47           HB3      GLN  47 -14.649   3.364   3.444
  140    HG2  GLN  47           HG2      GLN  47 -13.411   1.231   3.844
  141    HG3  GLN  47           HG3      GLN  47 -12.956   1.867   5.422
  142   HE21  GLN  47          HE21      GLN  47 -16.060   2.425   3.892
  143   HE22  GLN  47          HE22      GLN  47 -16.988   1.488   5.015
  144    H    ALA  48           HN       ALA  48 -11.108   1.837   4.231
  145    HA   ALA  48           HA       ALA  48  -9.868   3.217   6.374
  146    HB1  ALA  48           HB1      ALA  48 -10.311   0.805   6.411
  147    HB2  ALA  48           HB2      ALA  48  -9.077   0.574   5.172
  148    HB3  ALA  48           HB3      ALA  48  -8.624   1.184   6.761
  149    H    LEU  49           HN       LEU  49  -8.474   2.022   3.259
  150    HA   LEU  49           HA       LEU  49  -5.842   2.839   3.993
  151    HB2  LEU  49           HB2      LEU  49  -7.126   1.470   1.733
  152    HB3  LEU  49           HB3      LEU  49  -5.866   2.591   1.241
  153    HG   LEU  49           HG       LEU  49  -5.600   0.186   3.002
  154   HD11  LEU  49          HD11      LEU  49  -3.946  -0.406   1.262
  155   HD12  LEU  49          HD12      LEU  49  -5.595  -0.242   0.654
  156   HD13  LEU  49          HD13      LEU  49  -4.421   1.044   0.377
  157   HD21  LEU  49          HD21      LEU  49  -4.281   1.900   4.068
  158   HD22  LEU  49          HD22      LEU  49  -3.202   0.795   3.218
  159   HD23  LEU  49          HD23      LEU  49  -3.577   2.372   2.527
  160    H    LYS  50           HN       LYS  50  -8.160   3.928   1.555
  161    HA   LYS  50           HA       LYS  50  -6.495   5.856   0.476
  162    HB2  LYS  50           HB2      LYS  50  -9.514   5.961   0.443
  163    HB3  LYS  50           HB3      LYS  50  -8.404   6.606  -0.760
  164    HG2  LYS  50           HG2      LYS  50  -8.849   3.696  -0.134
  165    HG3  LYS  50           HG3      LYS  50  -9.428   4.563  -1.557
  166    HD2  LYS  50           HD2      LYS  50  -6.513   4.226  -0.824
  167    HD3  LYS  50           HD3      LYS  50  -7.374   3.205  -1.978
  168    HE2  LYS  50           HE2      LYS  50  -7.258   6.193  -2.276
  169    HE3  LYS  50           HE3      LYS  50  -5.978   5.149  -2.892
  170    HZ1  LYS  50           HZ1      LYS  50  -7.662   5.695  -4.568
  171    HZ2  LYS  50           HZ2      LYS  50  -8.851   4.924  -3.634
  172    HZ3  LYS  50           HZ3      LYS  50  -7.561   4.027  -4.279
  173    H    ALA  51           HN       ALA  51  -8.609   5.952   3.211
  174    HA   ALA  51           HA       ALA  51  -8.383   8.791   3.647
  175    HB1  ALA  51           HB1      ALA  51  -9.286   6.635   5.545
  176    HB2  ALA  51           HB2      ALA  51  -9.493   8.372   5.762
  177    HB3  ALA  51           HB3      ALA  51 -10.328   7.541   4.449
  178    H    THR  52           HN       THR  52  -6.777   5.870   4.881
  179    HA   THR  52           HA       THR  52  -5.583   7.206   7.105
  180    HB   THR  52           HB       THR  52  -6.149   4.761   7.070
  181    HG1  THR  52           HG1      THR  52  -4.341   4.227   8.326
  182   HG21  THR  52          HG21      THR  52  -4.566   3.201   6.056
  183   HG22  THR  52          HG22      THR  52  -3.632   4.550   5.405
  184   HG23  THR  52          HG23      THR  52  -5.266   4.248   4.819
  185    H    PHE  53           HN       PHE  53  -4.749   7.245   3.868
  186    HA   PHE  53           HA       PHE  53  -2.087   6.530   3.820
  187    HB2  PHE  53           HB2      PHE  53  -3.610   8.463   2.093
  188    HB3  PHE  53           HB3      PHE  53  -1.921   8.066   1.792
  189    HD1  PHE  53           HD2      PHE  53  -1.960   5.187   2.518
  190    HD2  PHE  53           HD1      PHE  53  -4.669   7.532   0.239
  191    HE1  PHE  53           HE2      PHE  53  -2.639   3.182   1.272
  192    HE2  PHE  53           HE1      PHE  53  -5.355   5.529  -1.003
  193    HZ   PHE  53           HZ       PHE  53  -4.346   3.351  -0.489
  194    H    SER  54           HN       SER  54  -3.432   9.507   4.993
  195    HA   SER  54           HA       SER  54  -1.134  11.114   4.770
  196    HB2  SER  54           HB2      SER  54  -3.468  11.921   5.306
  197    HB3  SER  54           HB3      SER  54  -3.229  11.313   6.944
  198    HG   SER  54           HG       SER  54  -1.484  13.177   5.693
  199    H    GLY  55           HN       GLY  55  -1.959   8.524   6.915
  200    HA2  GLY  55           HA1      GLY  55  -0.434   9.062   9.162
  201    HA3  GLY  55           HA2      GLY  55  -0.739   7.453   8.525
  202    H    PHE  56           HN       PHE  56   0.685   7.037   6.434
  203    HA   PHE  56           HA       PHE  56   3.391   7.212   7.395
  204    HB2  PHE  56           HB2      PHE  56   2.673   5.136   6.346
  205    HB3  PHE  56           HB3      PHE  56   2.285   5.994   4.858
  206    HD1  PHE  56           HD1      PHE  56   5.049   4.940   7.065
  207    HD2  PHE  56           HD2      PHE  56   3.955   6.493   3.254
  208    HE1  PHE  56           HE1      PHE  56   7.351   4.599   6.267
  209    HE2  PHE  56           HE2      PHE  56   6.256   6.157   2.453
  210    HZ   PHE  56           HZ       PHE  56   7.955   5.201   3.960
  211    H    THR  57           HN       THR  57   1.590   8.447   4.631
  212    HA   THR  57           HA       THR  57   3.763   9.439   3.165
  213    HB   THR  57           HB       THR  57   0.904  10.381   3.228
  214    HG1  THR  57           HG1      THR  57   2.061   8.827   1.180
  215   HG21  THR  57          HG21      THR  57   2.311  12.094   2.220
  216   HG22  THR  57          HG22      THR  57   1.341  11.297   0.982
  217   HG23  THR  57          HG23      THR  57   3.048  10.892   1.160
  218    H    LYS  58           HN       LYS  58   2.161  10.736   5.943
  219    HA   LYS  58           HA       LYS  58   3.108  13.452   5.527
  220    HB2  LYS  58           HB2      LYS  58   0.984  13.124   6.690
  221    HB3  LYS  58           HB3      LYS  58   1.792  12.176   7.929
  222    HG2  LYS  58           HG2      LYS  58   3.116  14.192   8.528
  223    HG3  LYS  58           HG3      LYS  58   2.143  15.115   7.377
  224    HD2  LYS  58           HD2      LYS  58   0.131  14.616   8.608
  225    HD3  LYS  58           HD3      LYS  58   1.022  13.555   9.700
  226    HE2  LYS  58           HE2      LYS  58   0.663  15.633  10.818
  227    HE3  LYS  58           HE3      LYS  58   2.371  15.523  10.402
  228    HZ1  LYS  58           HZ1      LYS  58   1.963  16.962   8.500
  229    HZ2  LYS  58           HZ2      LYS  58   1.493  17.718   9.941
  230    HZ3  LYS  58           HZ3      LYS  58   0.318  17.064   8.905
  231    H    GLU  59           HN       GLU  59   3.901  10.615   7.452
  232    HA   GLU  59           HA       GLU  59   6.032  12.013   8.843
  233    HB2  GLU  59           HB2      GLU  59   5.628  10.517  10.432
  234    HB3  GLU  59           HB3      GLU  59   4.440   9.720   9.407
  235    HG2  GLU  59           HG2      GLU  59   6.046   8.208   8.583
  236    HG3  GLU  59           HG3      GLU  59   7.382   9.135   9.288
  237    H    GLN  60           HN       GLN  60   5.541   9.970   6.150
  238    HA   GLN  60           HA       GLN  60   8.072   9.021   5.551
  239    HB2  GLN  60           HB2      GLN  60   6.072   8.494   4.254
  240    HB3  GLN  60           HB3      GLN  60   5.935  10.166   3.744
  241    HG2  GLN  60           HG2      GLN  60   8.092   9.918   2.561
  242    HG3  GLN  60           HG3      GLN  60   8.059   8.197   2.970
  243   HE21  GLN  60          HE21      GLN  60   7.928   7.590   0.833
  244   HE22  GLN  60          HE22      GLN  60   6.502   7.796  -0.112
  245    H    GLN  61           HN       GLN  61   6.560  12.099   4.760
  246    HA   GLN  61           HA       GLN  61   8.772  13.379   3.601
  247    HB2  GLN  61           HB2      GLN  61   6.497  14.542   5.218
  248    HB3  GLN  61           HB3      GLN  61   7.592  15.475   4.203
  249    HG2  GLN  61           HG2      GLN  61   5.667  13.354   3.270
  250    HG3  GLN  61           HG3      GLN  61   5.480  15.097   3.077
  251   HE21  GLN  61          HE21      GLN  61   7.129  12.250   1.982
  252   HE22  GLN  61          HE22      GLN  61   7.840  12.954   0.574
  253    H    ARG  62           HN       ARG  62   7.808  12.860   6.907
  254    HA   ARG  62           HA       ARG  62   9.542  14.767   8.129
  255    HB2  ARG  62           HB2      ARG  62   7.376  13.808   9.043
  256    HB3  ARG  62           HB3      ARG  62   8.270  12.339   9.392
  257    HG2  ARG  62           HG2      ARG  62   8.229  13.487  11.408
  258    HG3  ARG  62           HG3      ARG  62   9.836  13.824  10.753
  259    HD2  ARG  62           HD2      ARG  62   8.828  15.854  11.645
  260    HD3  ARG  62           HD3      ARG  62   9.031  15.975   9.896
  261    HE   ARG  62           HE       ARG  62   6.457  14.972  10.501
  262   HH11  ARG  62          HH12      ARG  62   8.295  17.965  10.642
  263   HH12  ARG  62          HH11      ARG  62   6.890  18.968  10.462
  264   HH21  ARG  62          HH22      ARG  62   4.636  16.297  10.283
  265   HH22  ARG  62          HH21      ARG  62   4.812  18.027  10.263
  266    H    LEU  63           HN       LEU  63   9.608  11.250   7.742
  267    HA   LEU  63           HA       LEU  63  12.134  10.871   9.007
  268    HB2  LEU  63           HB2      LEU  63  10.596   9.045   7.189
  269    HB3  LEU  63           HB3      LEU  63  11.952   8.577   8.199
  270    HG   LEU  63           HG       LEU  63   9.315   9.617   9.244
  271   HD11  LEU  63          HD11      LEU  63   9.086   7.433   8.155
  272   HD12  LEU  63          HD12      LEU  63  10.372   6.794   9.179
  273   HD13  LEU  63          HD13      LEU  63   8.854   7.334   9.900
  274   HD21  LEU  63          HD21      LEU  63  11.186  10.082  10.727
  275   HD22  LEU  63          HD22      LEU  63  10.151   8.826  11.406
  276   HD23  LEU  63          HD23      LEU  63  11.685   8.392  10.651
  277    H    GLY  64           HN       GLY  64  11.594  12.493   6.381
  278    HA2  GLY  64           HA1      GLY  64  12.946  13.157   4.647
  279    HA3  GLY  64           HA2      GLY  64  14.238  12.225   5.397
  280    H    ILE  65           HN       ILE  65  11.343  10.533   4.788
  281    HA   ILE  65           HA       ILE  65  12.738   8.853   2.955
  282    HB   ILE  65           HB       ILE  65   9.877   8.681   3.905
  283   HG12  ILE  65          HG12      ILE  65  12.404   7.236   4.728
  284   HG13  ILE  65          HG13      ILE  65  11.383   8.259   5.730
  285   HG21  ILE  65          HG21      ILE  65  11.504   6.738   2.256
  286   HG22  ILE  65          HG22      ILE  65   9.930   6.383   2.970
  287   HG23  ILE  65          HG23      ILE  65  10.077   7.631   1.734
  288   HD11  ILE  65          HD11      ILE  65  11.050   5.920   6.263
  289   HD12  ILE  65          HD12      ILE  65   9.582   6.612   5.568
  290   HD13  ILE  65          HD13      ILE  65  10.625   5.579   4.583
  291    HA   PRO  66           HA       PRO  66  11.475  10.995  -0.814
  292    HB2  PRO  66           HB2      PRO  66  11.619   8.191  -1.791
  293    HB3  PRO  66           HB3      PRO  66  12.348   9.652  -2.465
  294    HG2  PRO  66           HG2      PRO  66  13.783   7.810  -1.119
  295    HG3  PRO  66           HG3      PRO  66  14.171   9.539  -1.067
  296    HD2  PRO  66           HD2      PRO  66  12.976   7.808   1.000
  297    HD3  PRO  66           HD3      PRO  66  13.891   9.315   1.180
  298    H    LYS  67           HN       LYS  67   9.422  11.374  -1.496
  299    HA   LYS  67           HA       LYS  67   7.217  10.064  -0.399
  300    HB2  LYS  67           HB2      LYS  67   7.134  12.350  -1.233
  301    HB3  LYS  67           HB3      LYS  67   7.381  11.781  -2.878
  302    HG2  LYS  67           HG2      LYS  67   5.245  10.476  -2.630
  303    HG3  LYS  67           HG3      LYS  67   4.986  11.359  -1.121
  304    HD2  LYS  67           HD2      LYS  67   3.781  12.440  -2.919
  305    HD3  LYS  67           HD3      LYS  67   5.100  13.481  -2.378
  306    HE2  LYS  67           HE2      LYS  67   4.821  13.334  -4.867
  307    HE3  LYS  67           HE3      LYS  67   6.428  12.923  -4.278
  308    HZ1  LYS  67           HZ1      LYS  67   5.731  11.342  -5.940
  309    HZ2  LYS  67           HZ2      LYS  67   4.311  11.000  -5.082
  310    HZ3  LYS  67           HZ3      LYS  67   5.806  10.568  -4.440
  311    H    ASP  68           HN       ASP  68   8.596   9.743  -3.649
  312    HA   ASP  68           HA       ASP  68   6.619   7.820  -4.488
  313    HB2  ASP  68           HB2      ASP  68   9.243   8.658  -5.749
  314    HB3  ASP  68           HB3      ASP  68   8.058   7.599  -6.510
  315    HA   PRO  69           HA       PRO  69   8.805   4.135  -3.381
  316    HB2  PRO  69           HB2      PRO  69   8.032   2.412  -5.261
  317    HB3  PRO  69           HB3      PRO  69   6.871   3.093  -4.114
  318    HG2  PRO  69           HG2      PRO  69   7.400   3.866  -6.957
  319    HG3  PRO  69           HG3      PRO  69   5.850   3.677  -6.116
  320    HD2  PRO  69           HD2      PRO  69   7.096   6.094  -6.533
  321    HD3  PRO  69           HD3      PRO  69   5.946   5.777  -5.220
  322    H    ARG  70           HN       ARG  70   9.328   5.401  -6.604
  323    HA   ARG  70           HA       ARG  70  10.873   3.261  -7.598
  324    HB2  ARG  70           HB2      ARG  70  10.890   6.085  -8.650
  325    HB3  ARG  70           HB3      ARG  70  11.265   4.616  -9.532
  326    HG2  ARG  70           HG2      ARG  70   9.168   4.793 -10.280
  327    HG3  ARG  70           HG3      ARG  70   8.724   4.107  -8.715
  328    HD2  ARG  70           HD2      ARG  70   7.417   6.126  -9.285
  329    HD3  ARG  70           HD3      ARG  70   8.355   6.317  -7.802
  330    HE   ARG  70           HE       ARG  70  10.039   7.381  -9.535
  331   HH11  ARG  70          HH12      ARG  70   6.556   7.804  -9.411
  332   HH12  ARG  70          HH11      ARG  70   6.610   9.427 -10.030
  333   HH21  ARG  70          HH22      ARG  70  10.103   9.494 -10.338
  334   HH22  ARG  70          HH21      ARG  70   8.633  10.389 -10.554
  335    H    GLN  71           HN       GLN  71  11.868   5.115  -5.195
  336    HA   GLN  71           HA       GLN  71  14.665   4.900  -5.966
  337    HB2  GLN  71           HB2      GLN  71  15.224   7.169  -5.531
  338    HB3  GLN  71           HB3      GLN  71  13.802   7.219  -6.563
  339    HG2  GLN  71           HG2      GLN  71  13.860   7.610  -3.583
  340    HG3  GLN  71           HG3      GLN  71  13.637   8.860  -4.803
  341   HE21  GLN  71          HE21      GLN  71  12.200   6.018  -3.311
  342   HE22  GLN  71          HE22      GLN  71  10.562   6.413  -3.707
  343    H    TRP  72           HN       TRP  72  12.605   3.852  -3.895
  344    HA   TRP  72           HA       TRP  72  13.629   4.693  -1.380
  345    HB2  TRP  72           HB2      TRP  72  11.686   2.658  -2.403
  346    HB3  TRP  72           HB3      TRP  72  12.287   2.480  -0.756
  347    HD1  TRP  72           HD1      TRP  72  12.228   5.995  -0.915
  348    HE1  TRP  72           HE1      TRP  72   9.968   6.990  -0.190
  349    HE3  TRP  72           HE3      TRP  72   9.361   1.799  -1.227
  350    HZ2  TRP  72           HZ2      TRP  72   7.315   6.095   0.214
  351    HZ3  TRP  72           HZ3      TRP  72   6.980   1.945  -0.652
  352    HH2  TRP  72           HH2      TRP  72   5.980   4.045   0.052
  353    H    THR  73           HN       THR  73  14.716   3.330   0.162
  354    HA   THR  73           HA       THR  73  16.409   1.260  -0.939
  355    HB   THR  73           HB       THR  73  17.265   1.139   1.419
  356    HG1  THR  73           HG1      THR  73  16.518   2.778   2.869
  357   HG21  THR  73          HG21      THR  73  18.420   3.277   1.394
  358   HG22  THR  73          HG22      THR  73  17.226   3.937   0.273
  359   HG23  THR  73          HG23      THR  73  18.309   2.644  -0.249
  360    H    GLU  74           HN       GLU  74  16.520  -0.791   0.615
  361    HA   GLU  74           HA       GLU  74  14.049  -2.114   0.428
  362    HB2  GLU  74           HB2      GLU  74  15.073  -3.884   1.788
  363    HB3  GLU  74           HB3      GLU  74  16.159  -3.334   0.519
  364    HG2  GLU  74           HG2      GLU  74  17.442  -2.060   2.088
  365    HG3  GLU  74           HG3      GLU  74  16.292  -2.412   3.377
  366    H    THR  75           HN       THR  75  15.471  -0.198   2.980
  367    HA   THR  75           HA       THR  75  13.652  -1.069   5.012
  368    HB   THR  75           HB       THR  75  15.280   1.466   5.097
  369    HG1  THR  75           HG1      THR  75  16.960   0.103   5.980
  370   HG21  THR  75          HG21      THR  75  15.349   0.951   7.505
  371   HG22  THR  75          HG22      THR  75  14.365  -0.485   7.219
  372   HG23  THR  75          HG23      THR  75  13.693   1.120   6.919
  373    H    HIS  76           HN       HIS  76  13.760   1.561   2.666
  374    HA   HIS  76           HA       HIS  76  11.729   3.121   3.976
  375    HB2  HIS  76           HB2      HIS  76  12.925   3.251   1.202
  376    HB3  HIS  76           HB3      HIS  76  11.630   4.319   1.722
  377    HD1  HIS  76           HD1      HIS  76  14.687   5.090   0.946
  378    HD2  HIS  76           HD2      HIS  76  12.963   4.956   4.730
  379    HE1  HIS  76           HE1      HIS  76  16.090   6.593   2.375
  380    HE2  HIS  76           HE2      HIS  76  14.968   6.600   4.631
  381    H    VAL  77           HN       VAL  77  11.877   0.814   1.343
  382    HA   VAL  77           HA       VAL  77   9.187   0.881   0.599
  383    HB   VAL  77           HB       VAL  77  11.284  -1.279   0.378
  384   HG11  VAL  77          HG11      VAL  77   9.783  -2.440  -1.157
  385   HG12  VAL  77          HG12      VAL  77   9.081  -2.328   0.458
  386   HG13  VAL  77          HG13      VAL  77   8.519  -1.255  -0.824
  387   HG21  VAL  77          HG21      VAL  77  10.074   0.585  -1.678
  388   HG22  VAL  77          HG22      VAL  77  11.683   0.731  -0.970
  389   HG23  VAL  77          HG23      VAL  77  11.294  -0.651  -1.999
  390    H    ARG  78           HN       ARG  78  10.977  -1.293   2.804
  391    HA   ARG  78           HA       ARG  78   8.732  -2.783   3.597
  392    HB2  ARG  78           HB2      ARG  78  11.443  -2.364   4.782
  393    HB3  ARG  78           HB3      ARG  78  10.220  -3.261   5.673
  394    HG2  ARG  78           HG2      ARG  78   9.971  -4.652   3.513
  395    HG3  ARG  78           HG3      ARG  78  11.530  -3.951   3.071
  396    HD2  ARG  78           HD2      ARG  78  11.365  -5.052   5.794
  397    HD3  ARG  78           HD3      ARG  78  11.221  -6.234   4.496
  398    HE   ARG  78           HE       ARG  78  13.419  -4.622   3.925
  399   HH11  ARG  78          HH12      ARG  78  12.433  -6.807   6.475
  400   HH12  ARG  78          HH11      ARG  78  14.028  -7.457   6.727
  401   HH21  ARG  78          HH22      ARG  78  15.553  -5.482   4.259
  402   HH22  ARG  78          HH21      ARG  78  15.775  -6.725   5.456
  403    H    ASP  79           HN       ASP  79  10.028   0.235   4.818
  404    HA   ASP  79           HA       ASP  79   8.600   0.476   7.210
  405    HB2  ASP  79           HB2      ASP  79  10.042   2.212   5.398
  406    HB3  ASP  79           HB3      ASP  79   8.602   3.026   6.006
  407    H    TRP  80           HN       TRP  80   7.755   1.442   3.913
  408    HA   TRP  80           HA       TRP  80   5.146   2.387   4.618
  409    HB2  TRP  80           HB2      TRP  80   6.013   3.485   2.781
  410    HB3  TRP  80           HB3      TRP  80   6.828   2.046   2.180
  411    HD1  TRP  80           HD1      TRP  80   3.490   3.882   1.999
  412    HE1  TRP  80           HE1      TRP  80   2.176   2.894   0.020
  413    HE3  TRP  80           HE3      TRP  80   6.496  -0.083   0.915
  414    HZ2  TRP  80           HZ2      TRP  80   2.391   0.739  -1.784
  415    HZ3  TRP  80           HZ3      TRP  80   5.880  -1.566  -0.939
  416    HH2  TRP  80           HH2      TRP  80   3.863  -1.168  -2.255
  417    H    VAL  81           HN       VAL  81   6.630  -0.533   3.583
  418    HA   VAL  81           HA       VAL  81   4.433  -1.946   2.551
  419    HB   VAL  81           HB       VAL  81   7.161  -2.608   3.540
  420   HG11  VAL  81          HG11      VAL  81   5.869  -4.346   4.643
  421   HG12  VAL  81          HG12      VAL  81   5.102  -4.764   3.110
  422   HG13  VAL  81          HG13      VAL  81   6.837  -5.006   3.324
  423   HG21  VAL  81          HG21      VAL  81   7.288  -3.736   1.350
  424   HG22  VAL  81          HG22      VAL  81   5.614  -3.271   1.046
  425   HG23  VAL  81          HG23      VAL  81   6.854  -2.029   1.233
  426    H    MET  82           HN       MET  82   5.998  -2.150   5.727
  427    HA   MET  82           HA       MET  82   3.843  -3.650   6.814
  428    HB2  MET  82           HB2      MET  82   4.949  -3.466   8.948
  429    HB3  MET  82           HB3      MET  82   6.095  -3.885   7.688
  430    HG2  MET  82           HG2      MET  82   6.841  -1.555   7.603
  431    HG3  MET  82           HG3      MET  82   5.723  -1.168   8.914
  432    HE1  MET  82           HE1      MET  82   7.209  -3.723  11.653
  433    HE2  MET  82           HE2      MET  82   5.864  -2.634  11.316
  434    HE3  MET  82           HE3      MET  82   6.054  -4.113  10.376
  435    H    TRP  83           HN       TRP  83   4.160  -0.265   6.263
  436    HA   TRP  83           HA       TRP  83   2.634   0.557   8.531
  437    HB2  TRP  83           HB2      TRP  83   3.985   2.209   7.346
  438    HB3  TRP  83           HB3      TRP  83   3.059   1.960   5.866
  439    HD1  TRP  83           HD1      TRP  83   2.793   3.594   9.319
  440    HE1  TRP  83           HE1      TRP  83   0.808   5.232   9.292
  441    HE3  TRP  83           HE3      TRP  83   0.848   2.432   4.743
  442    HZ2  TRP  83           HZ2      TRP  83  -1.301   5.929   7.553
  443    HZ3  TRP  83           HZ3      TRP  83  -1.152   3.629   3.973
  444    HH2  TRP  83           HH2      TRP  83  -2.199   5.339   5.349
  445    H    ALA  84           HN       ALA  84   1.602   0.279   5.083
  446    HA   ALA  84           HA       ALA  84  -1.125   0.697   5.686
  447    HB1  ALA  84           HB1      ALA  84  -1.615  -0.321   3.499
  448    HB2  ALA  84           HB2      ALA  84  -0.303   0.854   3.392
  449    HB3  ALA  84           HB3      ALA  84   0.056  -0.875   3.385
  450    H    VAL  85           HN       VAL  85   0.901  -2.115   5.556
  451    HA   VAL  85           HA       VAL  85  -0.897  -4.133   6.141
  452    HB   VAL  85           HB       VAL  85   2.022  -3.673   6.529
  453   HG11  VAL  85          HG11      VAL  85   1.489  -4.785   8.607
  454   HG12  VAL  85          HG12      VAL  85   0.580  -6.024   7.742
  455   HG13  VAL  85          HG13      VAL  85   2.325  -5.900   7.527
  456   HG21  VAL  85          HG21      VAL  85   0.375  -5.762   5.130
  457   HG22  VAL  85          HG22      VAL  85   1.248  -4.416   4.398
  458   HG23  VAL  85          HG23      VAL  85   2.139  -5.732   5.164
  459    H    ASN  86           HN       ASN  86   1.013  -2.189   8.534
  460    HA   ASN  86           HA       ASN  86  -0.136  -3.608  10.680
  461    HB2  ASN  86           HB2      ASN  86   1.229  -2.460  12.072
  462    HB3  ASN  86           HB3      ASN  86   2.061  -2.217  10.550
  463   HD21  ASN  86          HD21      ASN  86   0.154  -0.196   9.620
  464   HD22  ASN  86          HD22      ASN  86   0.512   1.231  10.548
  465    H    GLU  87           HN       GLU  87  -1.337  -1.078   8.827
  466    HA   GLU  87           HA       GLU  87  -3.026   0.114  10.857
  467    HB2  GLU  87           HB2      GLU  87  -2.231   1.492   8.989
  468    HB3  GLU  87           HB3      GLU  87  -2.981   0.398   7.838
  469    HG2  GLU  87           HG2      GLU  87  -4.325   2.367   8.054
  470    HG3  GLU  87           HG3      GLU  87  -5.191   0.995   8.743
  471    H    PHE  88           HN       PHE  88  -3.195  -2.116   8.197
  472    HA   PHE  88           HA       PHE  88  -5.981  -2.761   8.603
  473    HB2  PHE  88           HB2      PHE  88  -3.804  -3.439   6.707
  474    HB3  PHE  88           HB3      PHE  88  -5.118  -4.611   6.888
  475    HD1  PHE  88           HD1      PHE  88  -7.422  -4.001   6.328
  476    HD2  PHE  88           HD2      PHE  88  -4.173  -1.344   5.642
  477    HE1  PHE  88           HE1      PHE  88  -8.841  -2.657   4.836
  478    HE2  PHE  88           HE2      PHE  88  -5.583  -0.002   4.150
  479    HZ   PHE  88           HZ       PHE  88  -7.921  -0.656   3.749
  480    H    SER  89           HN       SER  89  -3.351  -3.470  10.332
  481    HA   SER  89           HA       SER  89  -2.608  -5.123  11.692
  482    HB2  SER  89           HB2      SER  89  -5.430  -6.183  11.414
  483    HB3  SER  89           HB3      SER  89  -4.283  -6.605  12.683
  484    HG   SER  89           HG       SER  89  -6.015  -4.698  12.791
  485    H    LEU  90           HN       LEU  90  -1.938  -5.447   9.029
  486    HA   LEU  90           HA       LEU  90  -2.457  -8.243   8.315
  487    HB2  LEU  90           HB2      LEU  90  -0.750  -6.355   6.731
  488    HB3  LEU  90           HB3      LEU  90  -1.680  -7.729   6.165
  489    HG   LEU  90           HG       LEU  90  -2.880  -5.122   7.117
  490   HD11  LEU  90          HD11      LEU  90  -2.406  -6.177   4.329
  491   HD12  LEU  90          HD12      LEU  90  -3.243  -4.679   4.748
  492   HD13  LEU  90          HD13      LEU  90  -1.521  -4.864   5.102
  493   HD21  LEU  90          HD21      LEU  90  -4.075  -7.502   5.656
  494   HD22  LEU  90          HD22      LEU  90  -4.358  -7.087   7.347
  495   HD23  LEU  90          HD23      LEU  90  -4.920  -6.011   6.068
  496    H    LYS  91           HN       LYS  91  -0.553  -7.047  10.471
  497    HA   LYS  91           HA       LYS  91   2.082  -7.445   9.706
  498    HB2  LYS  91           HB2      LYS  91   0.862  -7.865  12.429
  499    HB3  LYS  91           HB3      LYS  91   2.580  -7.667  12.102
  500    HG2  LYS  91           HG2      LYS  91   2.056  -5.426  11.137
  501    HG3  LYS  91           HG3      LYS  91   0.398  -5.634  11.703
  502    HD2  LYS  91           HD2      LYS  91   2.877  -5.623  13.429
  503    HD3  LYS  91           HD3      LYS  91   1.713  -4.306  13.280
  504    HE2  LYS  91           HE2      LYS  91  -0.038  -5.780  14.188
  505    HE3  LYS  91           HE3      LYS  91   1.155  -7.065  14.370
  506    HZ1  LYS  91           HZ1      LYS  91   0.852  -5.959  16.457
  507    HZ2  LYS  91           HZ2      LYS  91   1.154  -4.443  15.760
  508    HZ3  LYS  91           HZ3      LYS  91   2.401  -5.584  15.873
  509    H    GLY  92           HN       GLY  92   1.240  -9.492   8.364
  510    HA2  GLY  92           HA1      GLY  92   2.798 -11.618   9.610
  511    HA3  GLY  92           HA2      GLY  92   1.248 -12.010   8.852
  512    H    VAL  93           HN       VAL  93   3.248  -9.426   7.786
  513    HA   VAL  93           HA       VAL  93   3.319 -10.394   5.086
  514    HB   VAL  93           HB       VAL  93   3.586  -7.857   6.409
  515   HG11  VAL  93          HG11      VAL  93   5.391  -6.856   5.124
  516   HG12  VAL  93          HG12      VAL  93   6.005  -8.122   6.190
  517   HG13  VAL  93          HG13      VAL  93   5.812  -8.437   4.463
  518   HG21  VAL  93          HG21      VAL  93   3.090  -7.004   4.222
  519   HG22  VAL  93          HG22      VAL  93   3.552  -8.540   3.483
  520   HG23  VAL  93          HG23      VAL  93   2.121  -8.450   4.514
  521    H    ASP  94           HN       ASP  94   5.039 -11.327   4.054
  522    HA   ASP  94           HA       ASP  94   7.247 -12.129   5.754
  523    HB2  ASP  94           HB2      ASP  94   6.235 -13.755   4.149
  524    HB3  ASP  94           HB3      ASP  94   6.784 -12.739   2.821
  525    H    PHE  95           HN       PHE  95   8.513 -10.445   6.143
  526    HA   PHE  95           HA       PHE  95   8.795  -8.235   4.453
  527    HB2  PHE  95           HB2      PHE  95  10.518  -9.198   6.739
  528    HB3  PHE  95           HB3      PHE  95  10.746  -7.649   5.938
  529    HD1  PHE  95           HD2      PHE  95   8.516  -9.624   8.078
  530    HD2  PHE  95           HD1      PHE  95   9.276  -5.805   6.359
  531    HE1  PHE  95           HE2      PHE  95   6.848  -8.619   9.574
  532    HE2  PHE  95           HE1      PHE  95   7.611  -4.794   7.861
  533    HZ   PHE  95           HZ       PHE  95   6.421  -6.173   9.484
  534    H    GLN  96           HN       GLN  96  10.333 -11.283   4.426
  535    HA   GLN  96           HA       GLN  96  12.662 -10.429   2.965
  536    HB2  GLN  96           HB2      GLN  96  11.546 -13.154   3.600
  537    HB3  GLN  96           HB3      GLN  96  13.001 -12.912   2.642
  538    HG2  GLN  96           HG2      GLN  96  12.566 -12.087   5.502
  539    HG3  GLN  96           HG3      GLN  96  13.613 -13.379   4.914
  540   HE21  GLN  96          HE21      GLN  96  13.198  -9.951   5.248
  541   HE22  GLN  96          HE22      GLN  96  14.818  -9.504   4.827
  542    H    LYS  97           HN       LYS  97   9.477 -11.682   2.202
  543    HA   LYS  97           HA       LYS  97  10.021 -12.003  -0.591
  544    HB2  LYS  97           HB2      LYS  97   7.992 -12.796   1.053
  545    HB3  LYS  97           HB3      LYS  97   7.258 -11.392   0.296
  546    HG2  LYS  97           HG2      LYS  97   8.429 -13.740  -1.185
  547    HG3  LYS  97           HG3      LYS  97   6.717 -13.504  -0.840
  548    HD2  LYS  97           HD2      LYS  97   6.790 -11.388  -2.127
  549    HD3  LYS  97           HD3      LYS  97   8.473 -11.728  -2.531
  550    HE2  LYS  97           HE2      LYS  97   6.119 -13.479  -3.228
  551    HE3  LYS  97           HE3      LYS  97   6.928 -12.368  -4.330
  552    HZ1  LYS  97           HZ1      LYS  97   7.708 -14.609  -4.655
  553    HZ2  LYS  97           HZ2      LYS  97   8.159 -14.733  -3.026
  554    HZ3  LYS  97           HZ3      LYS  97   8.968 -13.649  -4.047
  555    H    PHE  98           HN       PHE  98   9.237  -9.520   1.613
  556    HA   PHE  98           HA       PHE  98   8.505  -7.576  -0.409
  557    HB2  PHE  98           HB2      PHE  98   8.473  -7.673   2.572
  558    HB3  PHE  98           HB3      PHE  98   8.522  -6.101   1.779
  559    HD1  PHE  98           HD1      PHE  98   6.635  -5.320   0.442
  560    HD2  PHE  98           HD2      PHE  98   6.574  -9.093   2.405
  561    HE1  PHE  98           HE1      PHE  98   4.203  -5.439   0.145
  562    HE2  PHE  98           HE2      PHE  98   4.144  -9.233   2.082
  563    HZ   PHE  98           HZ       PHE  98   2.967  -7.325   0.867
  564    H    CYS  99           HN       CYS  99  11.269  -8.818  -0.056
  565    HA   CYS  99           HA       CYS  99  12.985  -6.680   0.734
  566    HB2  CYS  99           HB2      CYS  99  13.561  -9.164   0.659
  567    HB3  CYS  99           HB3      CYS  99  13.679  -8.979  -1.089
  568    HG   CYS  99           HG       CYS  99  15.684  -6.862  -0.705
  569    H    MET 100           HN       MET 100  11.877  -5.006  -0.569
  570    HA   MET 100           HA       MET 100  13.004  -4.959  -3.280
  571    HB2  MET 100           HB2      MET 100  10.452  -3.751  -2.237
  572    HB3  MET 100           HB3      MET 100  11.222  -3.148  -3.698
  573    HG2  MET 100           HG2      MET 100   9.683  -4.592  -4.548
  574    HG3  MET 100           HG3      MET 100  11.120  -5.625  -4.444
  575    HE1  MET 100           HE1      MET 100   7.722  -5.712  -1.323
  576    HE2  MET 100           HE2      MET 100   8.846  -4.367  -1.517
  577    HE3  MET 100           HE3      MET 100   7.661  -4.717  -2.777
  578    H    SER 101           HN       SER 101  14.536  -3.518  -3.596
  579    HA   SER 101           HA       SER 101  14.704  -1.089  -2.071
  580    HB2  SER 101           HB2      SER 101  16.666  -2.055  -3.332
  581    HB3  SER 101           HB3      SER 101  15.816  -1.704  -4.835
  582    HG   SER 101           HG       SER 101  17.373  -0.087  -4.152
  583    H    GLY 102           HN       GLY 102  14.005   1.015  -3.051
  584    HA2  GLY 102           HA1      GLY 102  11.356   0.947  -3.740
  585    HA3  GLY 102           HA2      GLY 102  12.411   2.307  -4.058
  586    H    ALA 103           HN       ALA 103  14.084   1.242  -6.033
  587    HA   ALA 103           HA       ALA 103  12.559   1.450  -8.368
  588    HB1  ALA 103           HB1      ALA 103  14.958   1.838  -8.337
  589    HB2  ALA 103           HB2      ALA 103  15.244   0.134  -7.980
  590    HB3  ALA 103           HB3      ALA 103  14.552   0.605  -9.531
  591    H    ALA 104           HN       ALA 104  13.567  -1.340  -6.501
  592    HA   ALA 104           HA       ALA 104  12.533  -3.310  -8.275
  593    HB1  ALA 104           HB1      ALA 104  12.829  -4.853  -6.396
  594    HB2  ALA 104           HB2      ALA 104  14.259  -3.845  -6.621
  595    HB3  ALA 104           HB3      ALA 104  13.123  -3.487  -5.317
  596    H    LEU 105           HN       LEU 105  11.313  -1.816  -5.226
  597    HA   LEU 105           HA       LEU 105   8.907  -2.911  -4.930
  598    HB2  LEU 105           HB2      LEU 105   9.793  -1.114  -3.517
  599    HB3  LEU 105           HB3      LEU 105   9.530   0.054  -4.808
  600    HG   LEU 105           HG       LEU 105   7.107  -0.472  -4.711
  601   HD11  LEU 105          HD11      LEU 105   7.070  -2.646  -3.796
  602   HD12  LEU 105          HD12      LEU 105   7.996  -2.137  -2.379
  603   HD13  LEU 105          HD13      LEU 105   6.333  -1.582  -2.590
  604   HD21  LEU 105          HD21      LEU 105   6.662   0.753  -2.661
  605   HD22  LEU 105          HD22      LEU 105   8.326   0.484  -2.135
  606   HD23  LEU 105          HD23      LEU 105   8.002   1.465  -3.564
  607    H    CYS 106           HN       CYS 106   9.494  -0.117  -6.906
  608    HA   CYS 106           HA       CYS 106   7.028   0.064  -8.120
  609    HB2  CYS 106           HB2      CYS 106   8.743   1.814  -8.101
  610    HB3  CYS 106           HB3      CYS 106   9.739   0.845  -9.176
  611    HG   CYS 106           HG       CYS 106   8.896   2.400 -11.085
  612    H    ALA 107           HN       ALA 107   9.993  -1.502  -9.359
  613    HA   ALA 107           HA       ALA 107   9.076  -2.152 -11.871
  614    HB1  ALA 107           HB1      ALA 107  11.076  -3.674 -10.219
  615    HB2  ALA 107           HB2      ALA 107  10.921  -3.711 -11.977
  616    HB3  ALA 107           HB3      ALA 107  11.413  -2.223 -11.165
  617    H    LEU 108           HN       LEU 108   8.371  -3.887  -8.859
  618    HA   LEU 108           HA       LEU 108   7.899  -6.380 -10.042
  619    HB2  LEU 108           HB2      LEU 108   6.392  -6.814  -8.017
  620    HB3  LEU 108           HB3      LEU 108   8.090  -6.519  -7.746
  621    HG   LEU 108           HG       LEU 108   7.507  -4.166  -7.102
  622   HD11  LEU 108          HD11      LEU 108   5.171  -3.721  -6.440
  623   HD12  LEU 108          HD12      LEU 108   5.365  -3.899  -8.183
  624   HD13  LEU 108          HD13      LEU 108   4.684  -5.221  -7.236
  625   HD21  LEU 108          HD21      LEU 108   6.683  -4.801  -4.894
  626   HD22  LEU 108          HD22      LEU 108   6.269  -6.399  -5.514
  627   HD23  LEU 108          HD23      LEU 108   7.955  -5.884  -5.461
  628    H    GLY 109           HN       GLY 109   5.776  -3.599  -9.773
  629    HA2  GLY 109           HA1      GLY 109   3.806  -3.158 -10.889
  630    HA3  GLY 109           HA2      GLY 109   4.019  -4.664 -11.773
  631    H    LYS 110           HN       LYS 110   1.529  -3.848 -10.895
  632    HA   LYS 110           HA       LYS 110   0.595  -4.679  -8.473
  633    HB2  LYS 110           HB2      LYS 110  -1.299  -4.042  -9.477
  634    HB3  LYS 110           HB3      LYS 110  -0.537  -4.159 -11.052
  635    HG2  LYS 110           HG2      LYS 110  -2.445  -5.508 -11.183
  636    HG3  LYS 110           HG3      LYS 110  -1.102  -6.630 -10.978
  637    HD2  LYS 110           HD2      LYS 110  -1.716  -6.349  -8.434
  638    HD3  LYS 110           HD3      LYS 110  -3.293  -5.927  -9.107
  639    HE2  LYS 110           HE2      LYS 110  -1.753  -8.455  -9.728
  640    HE3  LYS 110           HE3      LYS 110  -3.071  -8.338  -8.569
  641    HZ1  LYS 110           HZ1      LYS 110  -3.961  -9.170 -10.575
  642    HZ2  LYS 110           HZ2      LYS 110  -3.230  -7.958 -11.506
  643    HZ3  LYS 110           HZ3      LYS 110  -4.492  -7.566 -10.450
  644    H    GLU 111           HN       GLU 111   0.920  -6.810 -11.343
  645    HA   GLU 111           HA       GLU 111  -0.088  -9.126 -10.308
  646    HB2  GLU 111           HB2      GLU 111   0.904  -8.575 -12.648
  647    HB3  GLU 111           HB3      GLU 111   2.405  -9.199 -11.977
  648    HG2  GLU 111           HG2      GLU 111   1.377 -10.976 -13.139
  649    HG3  GLU 111           HG3      GLU 111   1.167 -11.306 -11.419
  650    H    CYS 112           HN       CYS 112   3.349  -8.294 -10.294
  651    HA   CYS 112           HA       CYS 112   4.162 -10.527  -8.821
  652    HB2  CYS 112           HB2      CYS 112   5.735  -9.284 -10.186
  653    HB3  CYS 112           HB3      CYS 112   5.528  -7.858  -9.177
  654    HG   CYS 112           HG       CYS 112   6.544 -10.551  -7.472
  655    H    PHE 113           HN       PHE 113   3.557  -7.164  -7.764
  656    HA   PHE 113           HA       PHE 113   4.182  -7.472  -5.108
  657    HB2  PHE 113           HB2      PHE 113   3.401  -5.353  -6.431
  658    HB3  PHE 113           HB3      PHE 113   1.802  -5.807  -5.862
  659    HD1  PHE 113           HD2      PHE 113   1.584  -6.271  -3.348
  660    HD2  PHE 113           HD1      PHE 113   4.782  -4.008  -5.052
  661    HE1  PHE 113           HE2      PHE 113   2.041  -5.273  -1.163
  662    HE2  PHE 113           HE1      PHE 113   5.236  -3.028  -2.855
  663    HZ   PHE 113           HZ       PHE 113   3.876  -3.661  -0.908
  664    H    LEU 114           HN       LEU 114   1.068  -8.240  -6.670
  665    HA   LEU 114           HA       LEU 114  -0.060  -8.932  -4.111
  666    HB2  LEU 114           HB2      LEU 114  -1.316  -9.767  -6.685
  667    HB3  LEU 114           HB3      LEU 114  -2.071  -9.404  -5.146
  668    HG   LEU 114           HG       LEU 114  -1.265  -7.599  -7.339
  669   HD11  LEU 114          HD11      LEU 114  -3.477  -7.552  -5.298
  670   HD12  LEU 114          HD12      LEU 114  -3.318  -6.470  -6.682
  671   HD13  LEU 114          HD13      LEU 114  -3.589  -8.192  -6.938
  672   HD21  LEU 114          HD21      LEU 114  -1.336  -6.593  -4.511
  673   HD22  LEU 114          HD22      LEU 114   0.134  -6.822  -5.460
  674   HD23  LEU 114          HD23      LEU 114  -1.079  -5.654  -5.986
  675    H    GLU 115           HN       GLU 115   1.628 -10.591  -6.634
  676    HA   GLU 115           HA       GLU 115   1.151 -13.196  -5.571
  677    HB2  GLU 115           HB2      GLU 115   3.465 -12.151  -7.215
  678    HB3  GLU 115           HB3      GLU 115   3.188 -13.844  -6.848
  679    HG2  GLU 115           HG2      GLU 115   1.030 -13.704  -8.061
  680    HG3  GLU 115           HG3      GLU 115   1.438 -12.050  -8.515
  681    H    LEU 116           HN       LEU 116   2.767 -10.492  -4.568
  682    HA   LEU 116           HA       LEU 116   5.029 -11.785  -3.286
  683    HB2  LEU 116           HB2      LEU 116   5.725  -9.932  -4.408
  684    HB3  LEU 116           HB3      LEU 116   4.228  -9.060  -4.132
  685    HG   LEU 116           HG       LEU 116   5.794  -9.445  -1.706
  686   HD11  LEU 116          HD11      LEU 116   7.520  -7.828  -2.311
  687   HD12  LEU 116          HD12      LEU 116   7.642  -9.288  -3.292
  688   HD13  LEU 116          HD13      LEU 116   6.932  -7.824  -3.973
  689   HD21  LEU 116          HD21      LEU 116   3.853  -7.971  -1.926
  690   HD22  LEU 116          HD22      LEU 116   5.309  -7.086  -1.464
  691   HD23  LEU 116          HD23      LEU 116   4.731  -7.022  -3.129
  692    H    ALA 117           HN       ALA 117   1.997 -10.300  -2.442
  693    HA   ALA 117           HA       ALA 117   2.431 -11.189   0.340
  694    HB1  ALA 117           HB1      ALA 117   2.539  -8.744   0.355
  695    HB2  ALA 117           HB2      ALA 117   0.995  -8.652  -0.494
  696    HB3  ALA 117           HB3      ALA 117   1.063  -9.290   1.152
  697    HA   PRO 118           HA       PRO 118  -1.775 -13.009   0.062
  698    HB2  PRO 118           HB2      PRO 118  -2.725 -10.802   1.835
  699    HB3  PRO 118           HB3      PRO 118  -3.051 -12.537   1.933
  700    HG2  PRO 118           HG2      PRO 118  -1.308 -11.374   3.585
  701    HG3  PRO 118           HG3      PRO 118  -1.019 -12.998   2.939
  702    HD2  PRO 118           HD2      PRO 118   0.277 -10.427   2.224
  703    HD3  PRO 118           HD3      PRO 118   0.931 -12.075   2.171
  704    H    ASP 119           HN       ASP 119  -3.411 -12.619  -1.376
  705    HA   ASP 119           HA       ASP 119  -3.021 -10.605  -3.235
  706    HB2  ASP 119           HB2      ASP 119  -4.964 -11.382  -4.377
  707    HB3  ASP 119           HB3      ASP 119  -4.168 -12.778  -3.662
  708    H    PHE 120           HN       PHE 120  -4.653 -10.238  -0.246
  709    HA   PHE 120           HA       PHE 120  -6.220  -7.986  -1.200
  710    HB2  PHE 120           HB2      PHE 120  -7.238  -9.487   0.492
  711    HB3  PHE 120           HB3      PHE 120  -5.920  -9.095   1.592
  712    HD1  PHE 120           HD1      PHE 120  -7.398  -6.531  -0.571
  713    HD2  PHE 120           HD2      PHE 120  -7.404  -8.305   3.300
  714    HE1  PHE 120           HE1      PHE 120  -8.658  -4.610   0.303
  715    HE2  PHE 120           HE2      PHE 120  -8.664  -6.386   4.182
  716    HZ   PHE 120           HZ       PHE 120  -9.292  -4.535   2.683
  717    H    VAL 121           HN       VAL 121  -3.526  -8.828   0.800
  718    HA   VAL 121           HA       VAL 121  -2.982  -6.237   1.791
  719    HB   VAL 121           HB       VAL 121  -1.292  -8.726   1.684
  720   HG11  VAL 121          HG11      VAL 121   0.052  -6.722   2.044
  721   HG12  VAL 121          HG12      VAL 121  -0.998  -6.253   3.380
  722   HG13  VAL 121          HG13      VAL 121  -0.018  -7.716   3.501
  723   HG21  VAL 121          HG21      VAL 121  -3.009  -7.635   3.897
  724   HG22  VAL 121          HG22      VAL 121  -3.510  -8.904   2.773
  725   HG23  VAL 121          HG23      VAL 121  -2.148  -9.178   3.873
  726    H    GLY 122           HN       GLY 122  -1.608  -8.276  -0.779
  727    HA2  GLY 122           HA1      GLY 122   0.419  -6.607  -1.646
  728    HA3  GLY 122           HA2      GLY 122  -0.522  -7.670  -2.687
  729    H    ASP 123           HN       ASP 123  -3.043  -6.530  -2.497
  730    HA   ASP 123           HA       ASP 123  -2.693  -4.338  -4.306
  731    HB2  ASP 123           HB2      ASP 123  -4.457  -5.988  -4.700
  732    HB3  ASP 123           HB3      ASP 123  -5.224  -5.554  -3.174
  733    H    ILE 124           HN       ILE 124  -3.864  -4.754  -0.998
  734    HA   ILE 124           HA       ILE 124  -4.471  -2.162  -0.324
  735    HB   ILE 124           HB       ILE 124  -3.231  -4.420   1.191
  736   HG12  ILE 124          HG12      ILE 124  -5.734  -2.773   1.620
  737   HG13  ILE 124          HG13      ILE 124  -5.666  -4.299   0.741
  738   HG21  ILE 124          HG21      ILE 124  -2.086  -2.402   2.041
  739   HG22  ILE 124          HG22      ILE 124  -3.653  -1.664   2.366
  740   HG23  ILE 124          HG23      ILE 124  -3.163  -3.109   3.248
  741   HD11  ILE 124          HD11      ILE 124  -6.487  -4.562   3.036
  742   HD12  ILE 124          HD12      ILE 124  -4.998  -5.467   2.751
  743   HD13  ILE 124          HD13      ILE 124  -4.950  -3.945   3.644
  744    H    LEU 125           HN       LEU 125  -1.260  -3.607   0.098
  745    HA   LEU 125           HA       LEU 125   0.083  -1.193   0.452
  746    HB2  LEU 125           HB2      LEU 125   0.788  -3.991  -0.186
  747    HB3  LEU 125           HB3      LEU 125   2.008  -2.774  -0.539
  748    HG   LEU 125           HG       LEU 125   0.673  -3.046   2.142
  749   HD11  LEU 125          HD11      LEU 125   3.337  -4.137   1.240
  750   HD12  LEU 125          HD12      LEU 125   2.707  -4.162   2.889
  751   HD13  LEU 125          HD13      LEU 125   1.907  -5.094   1.625
  752   HD21  LEU 125          HD21      LEU 125   1.620  -0.856   1.612
  753   HD22  LEU 125          HD22      LEU 125   2.545  -1.666   2.878
  754   HD23  LEU 125          HD23      LEU 125   3.166  -1.615   1.227
  755    H    TRP 126           HN       TRP 126  -0.598  -3.050  -2.476
  756    HA   TRP 126           HA       TRP 126   0.928  -1.502  -4.246
  757    HB2  TRP 126           HB2      TRP 126   0.083  -3.624  -5.007
  758    HB3  TRP 126           HB3      TRP 126  -1.585  -3.104  -4.764
  759    HD1  TRP 126           HD1      TRP 126  -2.762  -2.141  -6.799
  760    HE1  TRP 126           HE1      TRP 126  -2.009  -1.178  -9.087
  761    HE3  TRP 126           HE3      TRP 126   2.291  -2.387  -6.161
  762    HZ2  TRP 126           HZ2      TRP 126   0.430  -0.616 -10.416
  763    HZ3  TRP 126           HZ3      TRP 126   3.768  -1.631  -7.978
  764    HH2  TRP 126           HH2      TRP 126   2.849  -0.771 -10.069
  765    H    GLU 127           HN       GLU 127  -2.443  -1.076  -3.142
  766    HA   GLU 127           HA       GLU 127  -3.065   1.151  -4.699
  767    HB2  GLU 127           HB2      GLU 127  -4.051   0.063  -2.155
  768    HB3  GLU 127           HB3      GLU 127  -4.238   1.806  -2.312
  769    HG2  GLU 127           HG2      GLU 127  -5.176  -0.160  -4.373
  770    HG3  GLU 127           HG3      GLU 127  -6.189   0.445  -3.062
  771    H    HIS 128           HN       HIS 128  -1.723   1.162  -1.369
  772    HA   HIS 128           HA       HIS 128  -1.204   3.933  -1.432
  773    HB2  HIS 128           HB2      HIS 128  -1.129   2.412   0.638
  774    HB3  HIS 128           HB3      HIS 128   0.515   2.014   0.136
  775    HD1  HIS 128           HD1      HIS 128   0.797   3.233   2.660
  776    HD2  HIS 128           HD2      HIS 128   0.039   5.649  -0.645
  777    HE1  HIS 128           HE1      HIS 128   1.431   5.559   3.366
  778    HE2  HIS 128           HE2      HIS 128   0.853   7.027   1.406
  779    H    LEU 129           HN       LEU 129   0.718   1.204  -2.596
  780    HA   LEU 129           HA       LEU 129   3.065   2.550  -3.190
  781    HB2  LEU 129           HB2      LEU 129   2.679   0.107  -3.457
  782    HB3  LEU 129           HB3      LEU 129   1.663   0.438  -4.845
  783    HG   LEU 129           HG       LEU 129   3.455   0.927  -6.220
  784   HD11  LEU 129          HD11      LEU 129   4.357   2.690  -4.766
  785   HD12  LEU 129          HD12      LEU 129   5.096   1.457  -3.744
  786   HD13  LEU 129          HD13      LEU 129   5.634   1.655  -5.413
  787   HD21  LEU 129          HD21      LEU 129   3.576  -1.417  -5.412
  788   HD22  LEU 129          HD22      LEU 129   5.143  -0.762  -5.883
  789   HD23  LEU 129          HD23      LEU 129   4.719  -0.897  -4.176
  790    H    GLU 130           HN       GLU 130   0.104   2.159  -5.042
  791    HA   GLU 130           HA       GLU 130   0.947   3.776  -7.150
  792    HB2  GLU 130           HB2      GLU 130  -0.893   1.991  -7.160
  793    HB3  GLU 130           HB3      GLU 130  -1.931   3.209  -6.441
  794    HG2  GLU 130           HG2      GLU 130  -0.526   3.970  -8.927
  795    HG3  GLU 130           HG3      GLU 130  -1.782   2.745  -9.070
  796    H    ILE 131           HN       ILE 131  -0.924   4.366  -4.285
  797    HA   ILE 131           HA       ILE 131  -1.639   7.013  -4.736
  798    HB   ILE 131           HB       ILE 131  -1.304   5.304  -2.345
  799   HG12  ILE 131          HG12      ILE 131  -3.656   5.850  -1.993
  800   HG13  ILE 131          HG13      ILE 131  -3.598   7.069  -3.261
  801   HG21  ILE 131          HG21      ILE 131  -0.358   7.296  -1.470
  802   HG22  ILE 131          HG22      ILE 131  -1.565   8.303  -2.274
  803   HG23  ILE 131          HG23      ILE 131  -2.039   7.266  -0.925
  804   HD11  ILE 131          HD11      ILE 131  -3.108   5.188  -4.869
  805   HD12  ILE 131          HD12      ILE 131  -3.488   4.075  -3.552
  806   HD13  ILE 131          HD13      ILE 131  -4.719   5.191  -4.152
  807    H    LEU 132           HN       LEU 132   1.331   5.738  -3.173
  808    HA   LEU 132           HA       LEU 132   2.472   8.176  -2.457
  809    HB2  LEU 132           HB2      LEU 132   4.050   5.886  -3.594
  810    HB3  LEU 132           HB3      LEU 132   4.627   7.135  -2.512
  811    HG   LEU 132           HG       LEU 132   2.419   5.496  -1.473
  812   HD11  LEU 132          HD11      LEU 132   3.943   3.616  -1.004
  813   HD12  LEU 132          HD12      LEU 132   3.664   3.844  -2.731
  814   HD13  LEU 132          HD13      LEU 132   5.176   4.387  -2.003
  815   HD21  LEU 132          HD21      LEU 132   3.858   5.516   0.544
  816   HD22  LEU 132          HD22      LEU 132   5.111   6.357  -0.370
  817   HD23  LEU 132          HD23      LEU 132   3.562   7.147  -0.068
  818    H    GLN 133           HN       GLN 133   2.407   6.479  -5.492
  819    HA   GLN 133           HA       GLN 133   4.184   8.383  -6.745
  820    HB2  GLN 133           HB2      GLN 133   4.264   6.959  -8.592
  821    HB3  GLN 133           HB3      GLN 133   4.116   5.858  -7.234
  822    HG2  GLN 133           HG2      GLN 133   1.536   6.108  -7.838
  823    HG3  GLN 133           HG3      GLN 133   2.223   6.450  -9.424
  824   HE21  GLN 133          HE21      GLN 133   3.556   4.297  -6.988
  825   HE22  GLN 133          HE22      GLN 133   3.349   2.832  -7.887
  826    H    LYS 134           HN       LYS 134   0.691   7.741  -6.534
  827    HA   LYS 134           HA       LYS 134  -0.220   9.298  -8.558
  828    HB2  LYS 134           HB2      LYS 134  -2.069   8.438  -7.722
  829    HB3  LYS 134           HB3      LYS 134  -1.223   7.985  -6.259
  830    HG2  LYS 134           HG2      LYS 134  -2.199  10.775  -6.484
  831    HG3  LYS 134           HG3      LYS 134  -3.382   9.493  -6.237
  832    HD2  LYS 134           HD2      LYS 134  -1.753   8.749  -4.325
  833    HD3  LYS 134           HD3      LYS 134  -1.169  10.409  -4.449
  834    HE2  LYS 134           HE2      LYS 134  -4.027   9.585  -3.946
  835    HE3  LYS 134           HE3      LYS 134  -2.901  10.191  -2.733
  836    HZ1  LYS 134           HZ1      LYS 134  -3.956  11.684  -5.076
  837    HZ2  LYS 134           HZ2      LYS 134  -2.764  12.271  -4.020
  838    HZ3  LYS 134           HZ3      LYS 134  -4.329  11.952  -3.443
  839    H    GLU 135           HN       GLU 135   1.095  10.459  -5.497
  840    HA   GLU 135           HA       GLU 135   0.208  13.131  -5.883
  841    HB2  GLU 135           HB2      GLU 135   2.501  11.993  -4.281
  842    HB3  GLU 135           HB3      GLU 135   2.031  13.689  -4.247
  843    HG2  GLU 135           HG2      GLU 135   0.279  11.372  -3.456
  844    HG3  GLU 135           HG3      GLU 135   1.134  12.443  -2.348
  845    H    ASP 136           HN       ASP 136   2.603  11.236  -7.364
  846    HA   ASP 136           HA       ASP 136   4.032  13.570  -8.419
  847    HB2  ASP 136           HB2      ASP 136   5.391  11.684  -7.611
  848    HB3  ASP 136           HB3      ASP 136   4.568  10.605  -8.730
  849    H    VAL 137           HN       VAL 137   1.789  11.085  -9.199
  850    HA   VAL 137           HA       VAL 137   1.782  11.030 -11.958
  851    HB   VAL 137           HB       VAL 137  -0.502  10.720 -10.010
  852   HG11  VAL 137          HG11      VAL 137  -0.456  10.037 -12.948
  853   HG12  VAL 137          HG12      VAL 137  -1.751   9.646 -11.815
  854   HG13  VAL 137          HG13      VAL 137  -1.396  11.329 -12.200
  855   HG21  VAL 137          HG21      VAL 137   1.309   9.079  -9.804
  856   HG22  VAL 137          HG22      VAL 137  -0.185   8.335 -10.382
  857   HG23  VAL 137          HG23      VAL 137   1.125   8.673 -11.513
  858    H    LYS 138           HN       LYS 138   1.642  12.630 -13.313
  859    HA   LYS 138           HA       LYS 138  -0.631  14.374 -13.322
  860    HB2  LYS 138           HB2      LYS 138   0.766  15.712 -11.878
  861    HB3  LYS 138           HB3      LYS 138   2.154  15.491 -12.934
  862    HG2  LYS 138           HG2      LYS 138   1.189  17.724 -13.137
  863    HG3  LYS 138           HG3      LYS 138   1.097  16.834 -14.655
  864    HD2  LYS 138           HD2      LYS 138  -1.244  16.345 -14.251
  865    HD3  LYS 138           HD3      LYS 138  -1.162  17.147 -12.680
  866    HE2  LYS 138           HE2      LYS 138  -2.170  18.613 -14.344
  867    HE3  LYS 138           HE3      LYS 138  -0.629  19.260 -13.784
  868    HZ1  LYS 138           HZ1      LYS 138   0.385  18.250 -15.819
  869    HZ2  LYS 138           HZ2      LYS 138  -0.704  19.510 -16.125
  870    HZ3  LYS 138           HZ3      LYS 138  -1.180  17.904 -16.369
  Start of MODEL    8
    1    H1   MET  29           H1       MET  29 -40.427   2.090  -4.980
    2    H2   MET  29           H2       MET  29 -40.449   0.445  -5.390
    3    H3   MET  29           H3       MET  29 -39.792   1.577  -6.466
    4    HA   MET  29           HA       MET  29 -38.084   0.310  -5.294
    5    HB2  MET  29           HB2      MET  29 -38.303   3.274  -4.812
    6    HB3  MET  29           HB3      MET  29 -36.882   2.363  -4.318
    7    HG2  MET  29           HG2      MET  29 -36.463   3.389  -6.434
    8    HG3  MET  29           HG3      MET  29 -36.575   1.646  -6.652
    9    HE1  MET  29           HE1      MET  29 -38.006   3.060 -10.012
   10    HE2  MET  29           HE2      MET  29 -36.669   3.686  -9.043
   11    HE3  MET  29           HE3      MET  29 -36.844   1.947  -9.284
   12    H    GLU  30           HN       GLU  30 -37.075  -0.264  -3.376
   13    HA   GLU  30           HA       GLU  30 -38.798  -0.169  -1.033
   14    HB2  GLU  30           HB2      GLU  30 -37.058  -1.729  -0.065
   15    HB3  GLU  30           HB3      GLU  30 -37.935  -2.337  -1.456
   16    HG2  GLU  30           HG2      GLU  30 -35.208  -1.088  -1.664
   17    HG3  GLU  30           HG3      GLU  30 -35.461  -2.809  -1.389
   18    H    CYS  31           HN       CYS  31 -38.650   1.622   0.141
   19    HA   CYS  31           HA       CYS  31 -36.026   2.921   0.393
   20    HB2  CYS  31           HB2      CYS  31 -38.786   4.047   0.899
   21    HB3  CYS  31           HB3      CYS  31 -37.274   4.940   1.041
   22    HG   CYS  31           HG       CYS  31 -36.920   3.932  -1.865
   23    H    ALA  32           HN       ALA  32 -38.209   1.003   2.090
   24    HA   ALA  32           HA       ALA  32 -37.752   1.930   4.732
   25    HB1  ALA  32           HB1      ALA  32 -38.559  -0.253   5.444
   26    HB2  ALA  32           HB2      ALA  32 -39.575   0.389   4.153
   27    HB3  ALA  32           HB3      ALA  32 -38.390  -0.868   3.800
   28    H    ASP  33           HN       ASP  33 -36.100  -0.317   2.617
   29    HA   ASP  33           HA       ASP  33 -33.575   0.274   3.735
   30    HB2  ASP  33           HB2      ASP  33 -34.252  -1.297   5.496
   31    HB3  ASP  33           HB3      ASP  33 -34.626  -2.517   4.281
   32    H    VAL  34           HN       VAL  34 -33.148   0.742   1.603
   33    HA   VAL  34           HA       VAL  34 -33.503  -1.213  -0.464
   34    HB   VAL  34           HB       VAL  34 -33.667   1.134  -1.049
   35   HG11  VAL  34          HG11      VAL  34 -31.726   2.630  -1.019
   36   HG12  VAL  34          HG12      VAL  34 -32.164   2.091   0.603
   37   HG13  VAL  34          HG13      VAL  34 -30.777   1.374  -0.220
   38   HG21  VAL  34          HG21      VAL  34 -32.115   1.208  -2.961
   39   HG22  VAL  34          HG22      VAL  34 -31.236  -0.160  -2.275
   40   HG23  VAL  34          HG23      VAL  34 -32.909  -0.357  -2.794
   41    HA   PRO  35           HA       PRO  35 -29.797  -3.499   0.520
   42    HB2  PRO  35           HB2      PRO  35 -30.211  -4.479  -2.253
   43    HB3  PRO  35           HB3      PRO  35 -30.003  -5.392  -0.754
   44    HG2  PRO  35           HG2      PRO  35 -32.400  -5.209  -1.879
   45    HG3  PRO  35           HG3      PRO  35 -32.215  -5.105  -0.117
   46    HD2  PRO  35           HD2      PRO  35 -32.646  -2.903  -2.107
   47    HD3  PRO  35           HD3      PRO  35 -33.372  -3.129  -0.500
   48    H    LEU  36           HN       LEU  36 -27.875  -2.653   0.408
   49    HA   LEU  36           HA       LEU  36 -26.951  -1.503  -2.141
   50    HB2  LEU  36           HB2      LEU  36 -26.181  -0.695   0.669
   51    HB3  LEU  36           HB3      LEU  36 -25.446  -0.063  -0.791
   52    HG   LEU  36           HG       LEU  36 -28.335   0.302   0.013
   53   HD11  LEU  36          HD11      LEU  36 -26.810   1.568   1.425
   54   HD12  LEU  36          HD12      LEU  36 -26.023   2.234  -0.006
   55   HD13  LEU  36          HD13      LEU  36 -27.702   2.640   0.346
   56   HD21  LEU  36          HD21      LEU  36 -28.007   0.216  -2.424
   57   HD22  LEU  36          HD22      LEU  36 -28.468   1.825  -1.871
   58   HD23  LEU  36          HD23      LEU  36 -26.791   1.485  -2.291
   59    H    LEU  37           HN       LEU  37 -24.372  -1.394  -1.980
   60    HA   LEU  37           HA       LEU  37 -23.540  -4.128  -1.816
   61    HB2  LEU  37           HB2      LEU  37 -21.369  -3.305  -2.595
   62    HB3  LEU  37           HB3      LEU  37 -22.685  -2.731  -3.596
   63    HG   LEU  37           HG       LEU  37 -22.509  -0.587  -2.079
   64   HD11  LEU  37          HD11      LEU  37 -19.733  -1.743  -1.857
   65   HD12  LEU  37          HD12      LEU  37 -20.209  -0.107  -1.406
   66   HD13  LEU  37          HD13      LEU  37 -20.864  -1.490  -0.529
   67   HD21  LEU  37          HD21      LEU  37 -20.956   0.378  -3.706
   68   HD22  LEU  37          HD22      LEU  37 -20.533  -1.241  -4.261
   69   HD23  LEU  37          HD23      LEU  37 -22.174  -0.632  -4.485
   70    H    THR  38           HN       THR  38 -21.696  -4.855  -0.565
   71    HA   THR  38           HA       THR  38 -21.665  -3.585   2.091
   72    HB   THR  38           HB       THR  38 -20.316  -6.110   2.061
   73    HG1  THR  38           HG1      THR  38 -22.789  -5.986   0.685
   74   HG21  THR  38          HG21      THR  38 -21.366  -5.064   4.007
   75   HG22  THR  38          HG22      THR  38 -22.027  -6.674   3.722
   76   HG23  THR  38          HG23      THR  38 -22.951  -5.245   3.254
   77    HA   PRO  39           HA       PRO  39 -17.486  -2.271   1.267
   78    HB2  PRO  39           HB2      PRO  39 -17.345  -1.971   4.199
   79    HB3  PRO  39           HB3      PRO  39 -17.154  -0.747   2.939
   80    HG2  PRO  39           HG2      PRO  39 -19.320  -0.814   4.516
   81    HG3  PRO  39           HG3      PRO  39 -19.422  -0.339   2.809
   82    HD2  PRO  39           HD2      PRO  39 -20.110  -2.963   4.090
   83    HD3  PRO  39           HD3      PRO  39 -20.986  -2.060   2.835
   84    H    SER  40           HN       SER  40 -17.432  -4.803   0.937
   85    HA   SER  40           HA       SER  40 -16.160  -6.132   3.204
   86    HB2  SER  40           HB2      SER  40 -17.322  -7.320   0.678
   87    HB3  SER  40           HB3      SER  40 -16.740  -8.220   2.078
   88    HG   SER  40           HG       SER  40 -18.537  -7.802   3.101
   89    H    SER  41           HN       SER  41 -15.693  -5.873  -0.367
   90    HA   SER  41           HA       SER  41 -13.220  -7.341  -0.022
   91    HB2  SER  41           HB2      SER  41 -14.379  -6.252  -2.591
   92    HB3  SER  41           HB3      SER  41 -13.199  -7.551  -2.408
   93    HG   SER  41           HG       SER  41 -15.685  -7.934  -2.658
   94    H    LYS  42           HN       LYS  42 -13.801  -4.443  -2.096
   95    HA   LYS  42           HA       LYS  42 -11.135  -3.569  -1.355
   96    HB2  LYS  42           HB2      LYS  42 -12.081  -3.485  -3.744
   97    HB3  LYS  42           HB3      LYS  42 -12.929  -2.039  -3.200
   98    HG2  LYS  42           HG2      LYS  42 -10.697  -1.114  -2.467
   99    HG3  LYS  42           HG3      LYS  42  -9.958  -2.498  -3.286
  100    HD2  LYS  42           HD2      LYS  42 -11.052  -1.804  -5.393
  101    HD3  LYS  42           HD3      LYS  42 -11.677  -0.375  -4.565
  102    HE2  LYS  42           HE2      LYS  42  -9.400   0.360  -4.095
  103    HE3  LYS  42           HE3      LYS  42  -8.762  -1.079  -4.893
  104    HZ1  LYS  42           HZ1      LYS  42  -9.855  -0.321  -6.950
  105    HZ2  LYS  42           HZ2      LYS  42  -8.681   0.764  -6.397
  106    HZ3  LYS  42           HZ3      LYS  42 -10.322   1.107  -6.158
  107    H    GLU  43           HN       GLU  43 -14.433  -2.709  -0.607
  108    HA   GLU  43           HA       GLU  43 -13.996   0.043  -0.245
  109    HB2  GLU  43           HB2      GLU  43 -16.221  -1.116  -0.492
  110    HB3  GLU  43           HB3      GLU  43 -16.074  -1.584   1.196
  111    HG2  GLU  43           HG2      GLU  43 -17.475   0.396   0.914
  112    HG3  GLU  43           HG3      GLU  43 -16.041   0.735   1.880
  113    H    MET  44           HN       MET  44 -13.540  -2.688   1.939
  114    HA   MET  44           HA       MET  44 -12.989  -1.426   4.304
  115    HB2  MET  44           HB2      MET  44 -11.602  -3.740   2.962
  116    HB3  MET  44           HB3      MET  44 -11.130  -3.181   4.564
  117    HG2  MET  44           HG2      MET  44 -13.876  -4.126   3.776
  118    HG3  MET  44           HG3      MET  44 -12.675  -5.075   4.647
  119    HE1  MET  44           HE1      MET  44 -14.861  -5.428   6.312
  120    HE2  MET  44           HE2      MET  44 -15.632  -4.082   7.154
  121    HE3  MET  44           HE3      MET  44 -15.788  -4.228   5.402
  122    H    MET  45           HN       MET  45 -10.542  -2.011   1.748
  123    HA   MET  45           HA       MET  45  -8.677  -0.226   2.919
  124    HB2  MET  45           HB2      MET  45  -7.364  -0.444   0.933
  125    HB3  MET  45           HB3      MET  45  -8.024  -2.028   1.338
  126    HG2  MET  45           HG2      MET  45  -9.863  -1.481  -0.346
  127    HG3  MET  45           HG3      MET  45  -8.810  -0.164  -0.870
  128    HE1  MET  45           HE1      MET  45  -6.386  -0.534  -1.832
  129    HE2  MET  45           HE2      MET  45  -5.973  -1.474  -0.403
  130    HE3  MET  45           HE3      MET  45  -5.626  -2.115  -2.011
  131    H    SER  46           HN       SER  46 -11.191   0.230   0.483
  132    HA   SER  46           HA       SER  46 -10.393   2.743  -0.408
  133    HB2  SER  46           HB2      SER  46 -12.261   1.291  -1.325
  134    HB3  SER  46           HB3      SER  46 -13.274   1.931  -0.031
  135    HG   SER  46           HG       SER  46 -13.387   3.807  -1.014
  136    H    GLN  47           HN       GLN  47 -12.517   1.906   2.353
  137    HA   GLN  47           HA       GLN  47 -12.587   4.636   3.203
  138    HB2  GLN  47           HB2      GLN  47 -13.776   3.847   5.173
  139    HB3  GLN  47           HB3      GLN  47 -14.463   3.148   3.717
  140    HG2  GLN  47           HG2      GLN  47 -13.317   1.048   4.168
  141    HG3  GLN  47           HG3      GLN  47 -12.583   1.748   5.608
  142   HE21  GLN  47          HE21      GLN  47 -14.992   3.221   6.320
  143   HE22  GLN  47          HE22      GLN  47 -16.111   2.061   6.936
  144    H    ALA  48           HN       ALA  48 -10.874   1.723   4.408
  145    HA   ALA  48           HA       ALA  48  -9.660   3.159   6.545
  146    HB1  ALA  48           HB1      ALA  48  -8.393   1.144   6.976
  147    HB2  ALA  48           HB2      ALA  48 -10.086   0.755   6.667
  148    HB3  ALA  48           HB3      ALA  48  -8.873   0.484   5.414
  149    H    LEU  49           HN       LEU  49  -8.274   1.900   3.453
  150    HA   LEU  49           HA       LEU  49  -5.639   2.739   4.118
  151    HB2  LEU  49           HB2      LEU  49  -6.985   1.416   1.881
  152    HB3  LEU  49           HB3      LEU  49  -5.781   2.581   1.354
  153    HG   LEU  49           HG       LEU  49  -5.340   0.162   3.068
  154   HD11  LEU  49          HD11      LEU  49  -3.845  -0.439   1.209
  155   HD12  LEU  49          HD12      LEU  49  -5.518  -0.234   0.690
  156   HD13  LEU  49          HD13      LEU  49  -4.335   1.031   0.367
  157   HD21  LEU  49          HD21      LEU  49  -2.980   0.816   3.165
  158   HD22  LEU  49          HD22      LEU  49  -3.372   2.338   2.369
  159   HD23  LEU  49          HD23      LEU  49  -4.008   1.997   3.977
  160    H    LYS  50           HN       LYS  50  -8.051   3.885   1.813
  161    HA   LYS  50           HA       LYS  50  -6.444   5.899   0.784
  162    HB2  LYS  50           HB2      LYS  50  -9.460   5.912   0.810
  163    HB3  LYS  50           HB3      LYS  50  -8.391   6.665  -0.368
  164    HG2  LYS  50           HG2      LYS  50  -8.747   3.706   0.086
  165    HG3  LYS  50           HG3      LYS  50  -9.348   4.641  -1.283
  166    HD2  LYS  50           HD2      LYS  50  -6.418   4.395  -0.586
  167    HD3  LYS  50           HD3      LYS  50  -7.241   3.336  -1.733
  168    HE2  LYS  50           HE2      LYS  50  -7.364   6.314  -2.037
  169    HE3  LYS  50           HE3      LYS  50  -5.963   5.408  -2.607
  170    HZ1  LYS  50           HZ1      LYS  50  -7.329   4.140  -4.056
  171    HZ2  LYS  50           HZ2      LYS  50  -7.702   5.775  -4.316
  172    HZ3  LYS  50           HZ3      LYS  50  -8.756   4.799  -3.417
  173    H    ALA  51           HN       ALA  51  -8.524   5.819   3.571
  174    HA   ALA  51           HA       ALA  51  -8.357   8.639   4.123
  175    HB1  ALA  51           HB1      ALA  51 -10.261   7.327   4.891
  176    HB2  ALA  51           HB2      ALA  51  -9.191   6.383   5.926
  177    HB3  ALA  51           HB3      ALA  51  -9.421   8.104   6.234
  178    H    THR  52           HN       THR  52  -6.626   5.725   5.209
  179    HA   THR  52           HA       THR  52  -5.418   7.044   7.439
  180    HB   THR  52           HB       THR  52  -5.826   4.610   7.439
  181    HG1  THR  52           HG1      THR  52  -4.187   4.445   8.793
  182   HG21  THR  52          HG21      THR  52  -3.549   4.498   5.452
  183   HG22  THR  52          HG22      THR  52  -5.234   4.117   5.106
  184   HG23  THR  52          HG23      THR  52  -4.316   3.109   6.224
  185    H    PHE  53           HN       PHE  53  -4.731   7.278   4.194
  186    HA   PHE  53           HA       PHE  53  -1.998   6.873   4.076
  187    HB2  PHE  53           HB2      PHE  53  -3.756   8.686   2.439
  188    HB3  PHE  53           HB3      PHE  53  -2.045   8.451   2.094
  189    HD1  PHE  53           HD2      PHE  53  -1.843   5.544   2.761
  190    HD2  PHE  53           HD1      PHE  53  -4.741   7.734   0.559
  191    HE1  PHE  53           HE2      PHE  53  -2.389   3.528   1.475
  192    HE2  PHE  53           HE1      PHE  53  -5.295   5.715  -0.728
  193    HZ   PHE  53           HZ       PHE  53  -4.093   3.600  -0.273
  194    H    SER  54           HN       SER  54  -3.684   9.538   5.469
  195    HA   SER  54           HA       SER  54  -1.625  11.456   5.356
  196    HB2  SER  54           HB2      SER  54  -2.858  12.316   7.477
  197    HB3  SER  54           HB3      SER  54  -3.708  12.316   5.932
  198    HG   SER  54           HG       SER  54  -3.916  10.384   8.018
  199    H    GLY  55           HN       GLY  55  -2.005   8.593   7.262
  200    HA2  GLY  55           HA1      GLY  55  -0.292   9.227   9.385
  201    HA3  GLY  55           HA2      GLY  55  -0.623   7.611   8.778
  202    H    PHE  56           HN       PHE  56   0.578   7.220   6.523
  203    HA   PHE  56           HA       PHE  56   3.346   7.460   7.351
  204    HB2  PHE  56           HB2      PHE  56   2.477   5.273   6.571
  205    HB3  PHE  56           HB3      PHE  56   2.257   5.967   4.969
  206    HD1  PHE  56           HD1      PHE  56   4.693   4.819   7.439
  207    HD2  PHE  56           HD2      PHE  56   4.150   6.461   3.552
  208    HE1  PHE  56           HE1      PHE  56   7.035   4.301   6.895
  209    HE2  PHE  56           HE2      PHE  56   6.488   5.955   3.006
  210    HZ   PHE  56           HZ       PHE  56   7.936   4.867   4.676
  211    H    THR  57           HN       THR  57   1.395   8.312   4.528
  212    HA   THR  57           HA       THR  57   3.457   9.209   2.870
  213    HB   THR  57           HB       THR  57   0.841  10.653   2.909
  214    HG1  THR  57           HG1      THR  57  -0.124   8.763   2.853
  215   HG21  THR  57          HG21      THR  57   1.095  10.494   0.471
  216   HG22  THR  57          HG22      THR  57   2.576   9.560   0.690
  217   HG23  THR  57          HG23      THR  57   2.509  11.240   1.216
  218    H    LYS  58           HN       LYS  58   2.012  10.644   5.638
  219    HA   LYS  58           HA       LYS  58   3.008  13.324   5.131
  220    HB2  LYS  58           HB2      LYS  58   0.873  13.059   6.292
  221    HB3  LYS  58           HB3      LYS  58   1.644  12.103   7.542
  222    HG2  LYS  58           HG2      LYS  58   2.497  14.925   7.045
  223    HG3  LYS  58           HG3      LYS  58   1.063  14.567   8.006
  224    HD2  LYS  58           HD2      LYS  58   3.879  13.624   8.553
  225    HD3  LYS  58           HD3      LYS  58   2.990  14.854   9.451
  226    HE2  LYS  58           HE2      LYS  58   2.109  11.985   9.199
  227    HE3  LYS  58           HE3      LYS  58   3.066  12.603  10.543
  228    HZ1  LYS  58           HZ1      LYS  58   1.264  14.163  11.026
  229    HZ2  LYS  58           HZ2      LYS  58   0.755  12.550  11.134
  230    HZ3  LYS  58           HZ3      LYS  58   0.331  13.485   9.779
  231    H    GLU  59           HN       GLU  59   3.809  10.449   7.011
  232    HA   GLU  59           HA       GLU  59   5.889  11.860   8.480
  233    HB2  GLU  59           HB2      GLU  59   5.938  10.094   9.903
  234    HB3  GLU  59           HB3      GLU  59   4.375   9.709   9.180
  235    HG2  GLU  59           HG2      GLU  59   5.432   8.173   7.643
  236    HG3  GLU  59           HG3      GLU  59   7.026   8.601   8.282
  237    H    GLN  60           HN       GLN  60   5.460   9.934   5.714
  238    HA   GLN  60           HA       GLN  60   7.960   8.956   5.115
  239    HB2  GLN  60           HB2      GLN  60   5.679   8.876   3.849
  240    HB3  GLN  60           HB3      GLN  60   6.250  10.341   3.067
  241    HG2  GLN  60           HG2      GLN  60   8.105   9.191   2.122
  242    HG3  GLN  60           HG3      GLN  60   7.738   7.735   3.056
  243   HE21  GLN  60          HE21      GLN  60   7.924   8.108   0.182
  244   HE22  GLN  60          HE22      GLN  60   6.398   7.614  -0.461
  245    H    GLN  61           HN       GLN  61   6.565  12.103   4.413
  246    HA   GLN  61           HA       GLN  61   8.873  13.329   3.341
  247    HB2  GLN  61           HB2      GLN  61   6.488  14.496   4.784
  248    HB3  GLN  61           HB3      GLN  61   7.689  15.455   3.921
  249    HG2  GLN  61           HG2      GLN  61   5.873  13.380   2.709
  250    HG3  GLN  61           HG3      GLN  61   5.709  15.130   2.560
  251   HE21  GLN  61          HE21      GLN  61   7.535  12.323   1.592
  252   HE22  GLN  61          HE22      GLN  61   8.389  13.076   0.289
  253    H    ARG  62           HN       ARG  62   7.647  12.911   6.599
  254    HA   ARG  62           HA       ARG  62   9.326  14.712   7.959
  255    HB2  ARG  62           HB2      ARG  62   7.156  13.315   8.617
  256    HB3  ARG  62           HB3      ARG  62   8.376  12.236   9.296
  257    HG2  ARG  62           HG2      ARG  62   8.104  15.161   9.977
  258    HG3  ARG  62           HG3      ARG  62   7.426  13.832  10.919
  259    HD2  ARG  62           HD2      ARG  62  10.361  14.083  10.296
  260    HD3  ARG  62           HD3      ARG  62   9.620  14.761  11.745
  261    HE   ARG  62           HE       ARG  62   8.816  12.205  11.866
  262   HH11  ARG  62          HH12      ARG  62  11.971  13.608  11.260
  263   HH12  ARG  62          HH11      ARG  62  12.836  12.313  12.025
  264   HH21  ARG  62          HH22      ARG  62   9.959  10.485  12.875
  265   HH22  ARG  62          HH21      ARG  62  11.699  10.553  12.967
  266    H    LEU  63           HN       LEU  63   9.486  11.189   7.630
  267    HA   LEU  63           HA       LEU  63  12.045  10.985   8.825
  268    HB2  LEU  63           HB2      LEU  63  10.238   9.048   7.450
  269    HB3  LEU  63           HB3      LEU  63  11.845   8.588   7.987
  270    HG   LEU  63           HG       LEU  63  11.206   9.266  10.289
  271   HD11  LEU  63          HD11      LEU  63   8.821   9.469  10.833
  272   HD12  LEU  63          HD12      LEU  63   9.469  10.813   9.893
  273   HD13  LEU  63          HD13      LEU  63   8.485   9.583   9.106
  274   HD21  LEU  63          HD21      LEU  63   9.826   7.302  10.755
  275   HD22  LEU  63          HD22      LEU  63   9.484   7.146   9.031
  276   HD23  LEU  63          HD23      LEU  63  11.132   6.929   9.625
  277    H    GLY  64           HN       GLY  64  11.445  12.436   6.181
  278    HA2  GLY  64           HA1      GLY  64  12.812  13.079   4.452
  279    HA3  GLY  64           HA2      GLY  64  14.098  12.154   5.216
  280    H    ILE  65           HN       ILE  65  11.208  10.490   4.610
  281    HA   ILE  65           HA       ILE  65  12.562   8.803   2.751
  282    HB   ILE  65           HB       ILE  65   9.728   8.600   3.769
  283   HG12  ILE  65          HG12      ILE  65  12.279   7.227   4.646
  284   HG13  ILE  65          HG13      ILE  65  11.269   8.304   5.607
  285   HG21  ILE  65          HG21      ILE  65  10.038   7.489   1.618
  286   HG22  ILE  65          HG22      ILE  65  11.409   6.592   2.271
  287   HG23  ILE  65          HG23      ILE  65   9.788   6.313   2.909
  288   HD11  ILE  65          HD11      ILE  65  10.505   5.567   4.602
  289   HD12  ILE  65          HD12      ILE  65  10.930   5.998   6.262
  290   HD13  ILE  65          HD13      ILE  65   9.462   6.648   5.532
  291    HA   PRO  66           HA       PRO  66  11.148  11.256  -0.791
  292    HB2  PRO  66           HB2      PRO  66  11.555   9.032  -2.485
  293    HB3  PRO  66           HB3      PRO  66  12.666  10.374  -2.219
  294    HG2  PRO  66           HG2      PRO  66  12.655   7.659  -1.030
  295    HG3  PRO  66           HG3      PRO  66  14.024   8.726  -1.394
  296    HD2  PRO  66           HD2      PRO  66  13.172   8.338   1.117
  297    HD3  PRO  66           HD3      PRO  66  13.773   9.919   0.575
  298    H    LYS  67           HN       LYS  67   9.150  11.412  -1.719
  299    HA   LYS  67           HA       LYS  67   7.088   9.828  -0.618
  300    HB2  LYS  67           HB2      LYS  67   5.580  11.147  -2.073
  301    HB3  LYS  67           HB3      LYS  67   6.679  12.137  -1.122
  302    HG2  LYS  67           HG2      LYS  67   8.057  12.551  -3.007
  303    HG3  LYS  67           HG3      LYS  67   7.166  11.382  -3.990
  304    HD2  LYS  67           HD2      LYS  67   5.129  12.810  -3.653
  305    HD3  LYS  67           HD3      LYS  67   6.179  14.018  -2.908
  306    HE2  LYS  67           HE2      LYS  67   5.829  14.584  -5.223
  307    HE3  LYS  67           HE3      LYS  67   7.506  14.086  -4.993
  308    HZ1  LYS  67           HZ1      LYS  67   6.445  13.142  -6.996
  309    HZ2  LYS  67           HZ2      LYS  67   5.364  12.303  -6.002
  310    HZ3  LYS  67           HZ3      LYS  67   7.020  11.953  -5.928
  311    H    ASP  68           HN       ASP  68   8.642   9.746  -3.780
  312    HA   ASP  68           HA       ASP  68   6.751   7.840  -4.872
  313    HB2  ASP  68           HB2      ASP  68   9.523   8.635  -5.828
  314    HB3  ASP  68           HB3      ASP  68   8.390   7.639  -6.731
  315    HA   PRO  69           HA       PRO  69   8.855   4.198  -3.397
  316    HB2  PRO  69           HB2      PRO  69   8.143   2.387  -5.227
  317    HB3  PRO  69           HB3      PRO  69   6.965   3.106  -4.125
  318    HG2  PRO  69           HG2      PRO  69   7.513   3.748  -6.993
  319    HG3  PRO  69           HG3      PRO  69   5.959   3.619  -6.148
  320    HD2  PRO  69           HD2      PRO  69   7.246   5.993  -6.696
  321    HD3  PRO  69           HD3      PRO  69   6.065   5.768  -5.391
  322    H    ARG  70           HN       ARG  70   9.393   5.025  -6.779
  323    HA   ARG  70           HA       ARG  70  11.131   2.909  -7.376
  324    HB2  ARG  70           HB2      ARG  70  11.764   4.442  -9.390
  325    HB3  ARG  70           HB3      ARG  70  10.172   3.716  -9.278
  326    HG2  ARG  70           HG2      ARG  70  10.599   6.457  -8.187
  327    HG3  ARG  70           HG3      ARG  70  10.449   6.224  -9.932
  328    HD2  ARG  70           HD2      ARG  70   8.308   5.035  -9.545
  329    HD3  ARG  70           HD3      ARG  70   8.456   5.390  -7.825
  330    HE   ARG  70           HE       ARG  70   8.211   7.739  -8.364
  331   HH11  ARG  70          HH12      ARG  70   7.474   5.512 -10.969
  332   HH12  ARG  70          HH11      ARG  70   6.342   6.592 -11.729
  333   HH21  ARG  70          HH22      ARG  70   6.718   9.132  -9.342
  334   HH22  ARG  70          HH21      ARG  70   5.922   8.643 -10.816
  335    H    GLN  71           HN       GLN  71  11.986   5.115  -5.240
  336    HA   GLN  71           HA       GLN  71  14.805   4.839  -5.982
  337    HB2  GLN  71           HB2      GLN  71  15.339   7.106  -5.573
  338    HB3  GLN  71           HB3      GLN  71  13.877   7.157  -6.551
  339    HG2  GLN  71           HG2      GLN  71  14.006   7.473  -3.564
  340    HG3  GLN  71           HG3      GLN  71  13.805   8.774  -4.735
  341   HE21  GLN  71          HE21      GLN  71  12.305   5.938  -3.309
  342   HE22  GLN  71          HE22      GLN  71  10.678   6.376  -3.707
  343    H    TRP  72           HN       TRP  72  12.731   3.797  -3.898
  344    HA   TRP  72           HA       TRP  72  13.745   4.661  -1.392
  345    HB2  TRP  72           HB2      TRP  72  11.801   2.615  -2.393
  346    HB3  TRP  72           HB3      TRP  72  12.390   2.468  -0.739
  347    HD1  TRP  72           HD1      TRP  72  12.312   6.007  -1.088
  348    HE1  TRP  72           HE1      TRP  72  10.065   7.004  -0.335
  349    HE3  TRP  72           HE3      TRP  72   9.517   1.752  -1.051
  350    HZ2  TRP  72           HZ2      TRP  72   7.445   6.085   0.218
  351    HZ3  TRP  72           HZ3      TRP  72   7.157   1.887  -0.396
  352    HH2  TRP  72           HH2      TRP  72   6.141   4.009   0.223
  353    H    THR  73           HN       THR  73  14.881   3.410   0.164
  354    HA   THR  73           HA       THR  73  16.520   1.242  -0.771
  355    HB   THR  73           HB       THR  73  17.237   1.121   1.617
  356    HG1  THR  73           HG1      THR  73  16.418   2.865   2.990
  357   HG21  THR  73          HG21      THR  73  17.259   3.968   0.583
  358   HG22  THR  73          HG22      THR  73  18.327   2.693  -0.010
  359   HG23  THR  73          HG23      THR  73  18.429   3.218   1.670
  360    H    GLU  74           HN       GLU  74  16.522  -0.794   0.686
  361    HA   GLU  74           HA       GLU  74  14.069  -2.120   0.687
  362    HB2  GLU  74           HB2      GLU  74  16.145  -3.338   0.889
  363    HB3  GLU  74           HB3      GLU  74  16.520  -2.532   2.407
  364    HG2  GLU  74           HG2      GLU  74  14.454  -3.583   3.352
  365    HG3  GLU  74           HG3      GLU  74  14.364  -4.546   1.878
  366    H    THR  75           HN       THR  75  15.629  -0.152   3.140
  367    HA   THR  75           HA       THR  75  13.930  -0.779   5.292
  368    HB   THR  75           HB       THR  75  15.393   1.830   4.949
  369    HG1  THR  75           HG1      THR  75  16.393  -0.790   5.386
  370   HG21  THR  75          HG21      THR  75  14.002   1.623   6.934
  371   HG22  THR  75          HG22      THR  75  15.707   1.595   7.382
  372   HG23  THR  75          HG23      THR  75  14.781   0.094   7.340
  373    H    HIS  76           HN       HIS  76  13.797   1.669   2.753
  374    HA   HIS  76           HA       HIS  76  11.719   3.199   4.018
  375    HB2  HIS  76           HB2      HIS  76  12.891   3.249   1.236
  376    HB3  HIS  76           HB3      HIS  76  11.562   4.293   1.727
  377    HD1  HIS  76           HD1      HIS  76  14.495   5.236   0.860
  378    HD2  HIS  76           HD2      HIS  76  12.976   5.003   4.724
  379    HE1  HIS  76           HE1      HIS  76  15.869   6.825   2.213
  380    HE2  HIS  76           HE2      HIS  76  14.820   6.811   4.509
  381    H    VAL  77           HN       VAL  77  11.926   0.856   1.387
  382    HA   VAL  77           HA       VAL  77   9.245   0.852   0.634
  383    HB   VAL  77           HB       VAL  77  11.348  -1.312   0.488
  384   HG11  VAL  77          HG11      VAL  77   9.175  -2.375   0.486
  385   HG12  VAL  77          HG12      VAL  77   8.600  -1.256  -0.752
  386   HG13  VAL  77          HG13      VAL  77   9.864  -2.423  -1.137
  387   HG21  VAL  77          HG21      VAL  77  10.236   0.557  -1.620
  388   HG22  VAL  77          HG22      VAL  77  11.818   0.689  -0.854
  389   HG23  VAL  77          HG23      VAL  77  11.453  -0.692  -1.890
  390    H    ARG  78           HN       ARG  78  10.998  -1.320   2.862
  391    HA   ARG  78           HA       ARG  78   8.716  -2.795   3.595
  392    HB2  ARG  78           HB2      ARG  78  11.412  -2.450   4.856
  393    HB3  ARG  78           HB3      ARG  78  10.161  -3.412   5.636
  394    HG2  ARG  78           HG2      ARG  78  10.006  -4.616   3.349
  395    HG3  ARG  78           HG3      ARG  78  11.596  -3.909   3.062
  396    HD2  ARG  78           HD2      ARG  78  10.957  -5.474   5.540
  397    HD3  ARG  78           HD3      ARG  78  11.517  -6.251   4.060
  398    HE   ARG  78           HE       ARG  78  13.501  -4.663   4.320
  399   HH11  ARG  78          HH12      ARG  78  11.674  -5.915   7.018
  400   HH12  ARG  78          HH11      ARG  78  13.032  -5.962   8.100
  401   HH21  ARG  78          HH22      ARG  78  15.317  -4.754   5.706
  402   HH22  ARG  78          HH21      ARG  78  15.110  -5.292   7.347
  403    H    ASP  79           HN       ASP  79   9.999   0.201   4.815
  404    HA   ASP  79           HA       ASP  79   8.648   0.429   7.255
  405    HB2  ASP  79           HB2      ASP  79  10.301   2.052   5.876
  406    HB3  ASP  79           HB3      ASP  79   8.761   2.820   5.470
  407    H    TRP  80           HN       TRP  80   7.756   1.344   3.989
  408    HA   TRP  80           HA       TRP  80   5.159   2.303   4.670
  409    HB2  TRP  80           HB2      TRP  80   6.076   3.393   2.855
  410    HB3  TRP  80           HB3      TRP  80   6.885   1.950   2.266
  411    HD1  TRP  80           HD1      TRP  80   3.632   3.876   1.965
  412    HE1  TRP  80           HE1      TRP  80   2.332   2.901  -0.030
  413    HE3  TRP  80           HE3      TRP  80   6.487  -0.247   1.053
  414    HZ2  TRP  80           HZ2      TRP  80   2.488   0.691  -1.746
  415    HZ3  TRP  80           HZ3      TRP  80   5.845  -1.753  -0.776
  416    HH2  TRP  80           HH2      TRP  80   3.877  -1.295  -2.144
  417    H    VAL  81           HN       VAL  81   6.620  -0.654   3.644
  418    HA   VAL  81           HA       VAL  81   4.408  -2.045   2.612
  419    HB   VAL  81           HB       VAL  81   7.042  -2.846   3.810
  420   HG11  VAL  81          HG11      VAL  81   5.557  -4.561   4.634
  421   HG12  VAL  81          HG12      VAL  81   4.872  -4.778   3.022
  422   HG13  VAL  81          HG13      VAL  81   6.555  -5.206   3.329
  423   HG21  VAL  81          HG21      VAL  81   5.771  -3.288   1.116
  424   HG22  VAL  81          HG22      VAL  81   7.005  -2.091   1.508
  425   HG23  VAL  81          HG23      VAL  81   7.389  -3.812   1.581
  426    H    MET  82           HN       MET  82   5.925  -2.249   5.798
  427    HA   MET  82           HA       MET  82   3.736  -3.686   6.893
  428    HB2  MET  82           HB2      MET  82   4.831  -3.488   9.035
  429    HB3  MET  82           HB3      MET  82   5.973  -3.962   7.788
  430    HG2  MET  82           HG2      MET  82   6.736  -1.613   7.655
  431    HG3  MET  82           HG3      MET  82   5.667  -1.230   9.006
  432    HE1  MET  82           HE1      MET  82   5.869  -2.571  11.390
  433    HE2  MET  82           HE2      MET  82   6.018  -4.120  10.553
  434    HE3  MET  82           HE3      MET  82   7.213  -3.651  11.768
  435    H    TRP  83           HN       TRP  83   4.122  -0.315   6.298
  436    HA   TRP  83           HA       TRP  83   2.566   0.549   8.536
  437    HB2  TRP  83           HB2      TRP  83   3.931   2.195   7.396
  438    HB3  TRP  83           HB3      TRP  83   3.093   1.908   5.873
  439    HD1  TRP  83           HD1      TRP  83   2.629   3.627   9.266
  440    HE1  TRP  83           HE1      TRP  83   0.648   5.250   9.081
  441    HE3  TRP  83           HE3      TRP  83   0.962   2.344   4.610
  442    HZ2  TRP  83           HZ2      TRP  83  -1.346   5.912   7.198
  443    HZ3  TRP  83           HZ3      TRP  83  -0.981   3.526   3.689
  444    HH2  TRP  83           HH2      TRP  83  -2.105   5.272   4.953
  445    H    ALA  84           HN       ALA  84   1.598   0.185   5.075
  446    HA   ALA  84           HA       ALA  84  -1.138   0.635   5.579
  447    HB1  ALA  84           HB1      ALA  84  -1.550  -0.516   3.435
  448    HB2  ALA  84           HB2      ALA  84  -0.242   0.662   3.311
  449    HB3  ALA  84           HB3      ALA  84   0.128  -1.058   3.415
  450    H    VAL  85           HN       VAL  85   0.841  -2.221   5.577
  451    HA   VAL  85           HA       VAL  85  -0.998  -4.181   6.224
  452    HB   VAL  85           HB       VAL  85   1.931  -3.789   6.589
  453   HG11  VAL  85          HG11      VAL  85   1.325  -4.858   8.703
  454   HG12  VAL  85          HG12      VAL  85   0.468  -6.119   7.827
  455   HG13  VAL  85          HG13      VAL  85   2.213  -5.967   7.658
  456   HG21  VAL  85          HG21      VAL  85   0.224  -5.864   5.246
  457   HG22  VAL  85          HG22      VAL  85   1.104  -4.543   4.477
  458   HG23  VAL  85          HG23      VAL  85   1.987  -5.859   5.252
  459    H    ASN  86           HN       ASN  86   0.908  -2.159   8.542
  460    HA   ASN  86           HA       ASN  86  -0.249  -3.525  10.735
  461    HB2  ASN  86           HB2      ASN  86   1.165  -2.395  12.111
  462    HB3  ASN  86           HB3      ASN  86   2.012  -2.236  10.587
  463   HD21  ASN  86          HD21      ASN  86   0.198  -0.178   9.576
  464   HD22  ASN  86          HD22      ASN  86   0.594   1.268  10.462
  465    H    GLU  87           HN       GLU  87  -1.366  -0.904   8.858
  466    HA   GLU  87           HA       GLU  87  -3.000   0.289  10.915
  467    HB2  GLU  87           HB2      GLU  87  -2.220   1.640   9.019
  468    HB3  GLU  87           HB3      GLU  87  -3.026   0.555   7.895
  469    HG2  GLU  87           HG2      GLU  87  -4.306   2.574   8.169
  470    HG3  GLU  87           HG3      GLU  87  -5.191   1.203   8.835
  471    H    PHE  88           HN       PHE  88  -3.250  -1.951   8.276
  472    HA   PHE  88           HA       PHE  88  -6.021  -2.571   8.704
  473    HB2  PHE  88           HB2      PHE  88  -3.827  -3.435   6.896
  474    HB3  PHE  88           HB3      PHE  88  -5.161  -4.565   7.156
  475    HD1  PHE  88           HD1      PHE  88  -7.510  -3.806   6.672
  476    HD2  PHE  88           HD2      PHE  88  -4.071  -1.603   5.486
  477    HE1  PHE  88           HE1      PHE  88  -8.861  -2.589   5.023
  478    HE2  PHE  88           HE2      PHE  88  -5.418  -0.378   3.832
  479    HZ   PHE  88           HZ       PHE  88  -7.865  -0.884   3.634
  480    H    SER  89           HN       SER  89  -3.432  -3.187  10.540
  481    HA   SER  89           HA       SER  89  -2.676  -4.798  11.940
  482    HB2  SER  89           HB2      SER  89  -5.607  -5.555  11.919
  483    HB3  SER  89           HB3      SER  89  -4.428  -6.079  13.122
  484    HG   SER  89           HG       SER  89  -4.911  -3.346  12.568
  485    H    LEU  90           HN       LEU  90  -2.324  -5.459   9.196
  486    HA   LEU  90           HA       LEU  90  -3.279  -8.114   8.682
  487    HB2  LEU  90           HB2      LEU  90  -0.971  -6.676   7.356
  488    HB3  LEU  90           HB3      LEU  90  -1.932  -7.985   6.686
  489    HG   LEU  90           HG       LEU  90  -2.925  -5.180   7.275
  490   HD11  LEU  90          HD11      LEU  90  -3.084  -4.986   4.840
  491   HD12  LEU  90          HD12      LEU  90  -1.423  -5.242   5.373
  492   HD13  LEU  90          HD13      LEU  90  -2.333  -6.571   4.661
  493   HD21  LEU  90          HD21      LEU  90  -4.969  -5.917   6.143
  494   HD22  LEU  90          HD22      LEU  90  -4.303  -7.537   5.947
  495   HD23  LEU  90          HD23      LEU  90  -4.655  -6.916   7.560
  496    H    LYS  91           HN       LYS  91  -0.182  -6.651   9.482
  497    HA   LYS  91           HA       LYS  91   1.721  -7.439  10.448
  498    HB2  LYS  91           HB2      LYS  91  -0.361  -8.642  12.267
  499    HB3  LYS  91           HB3      LYS  91   1.303  -8.268  12.700
  500    HG2  LYS  91           HG2      LYS  91   0.865  -5.888  12.295
  501    HG3  LYS  91           HG3      LYS  91  -0.809  -6.273  11.893
  502    HD2  LYS  91           HD2      LYS  91   0.545  -6.711  14.556
  503    HD3  LYS  91           HD3      LYS  91  -0.655  -5.474  14.181
  504    HE2  LYS  91           HE2      LYS  91  -2.281  -7.271  13.670
  505    HE3  LYS  91           HE3      LYS  91  -1.081  -8.459  14.181
  506    HZ1  LYS  91           HZ1      LYS  91  -2.408  -6.391  15.839
  507    HZ2  LYS  91           HZ2      LYS  91  -1.051  -7.256  16.366
  508    HZ3  LYS  91           HZ3      LYS  91  -2.495  -8.076  16.017
  509    H    GLY  92           HN       GLY  92   0.850  -9.293   8.327
  510    HA2  GLY  92           HA1      GLY  92   2.356 -11.590   9.322
  511    HA3  GLY  92           HA2      GLY  92   0.793 -11.858   8.552
  512    H    VAL  93           HN       VAL  93   3.275  -9.511   7.816
  513    HA   VAL  93           HA       VAL  93   3.176 -10.262   5.011
  514    HB   VAL  93           HB       VAL  93   3.596  -7.801   6.458
  515   HG11  VAL  93          HG11      VAL  93   5.980  -8.183   6.102
  516   HG12  VAL  93          HG12      VAL  93   5.688  -8.424   4.378
  517   HG13  VAL  93          HG13      VAL  93   5.394  -6.848   5.110
  518   HG21  VAL  93          HG21      VAL  93   1.995  -8.195   4.642
  519   HG22  VAL  93          HG22      VAL  93   3.063  -6.830   4.313
  520   HG23  VAL  93          HG23      VAL  93   3.348  -8.380   3.517
  521    H    ASP  94           HN       ASP  94   4.888 -11.163   3.935
  522    HA   ASP  94           HA       ASP  94   7.029 -12.130   5.644
  523    HB2  ASP  94           HB2      ASP  94   5.887 -13.576   3.856
  524    HB3  ASP  94           HB3      ASP  94   6.776 -12.617   2.674
  525    H    PHE  95           HN       PHE  95   8.305 -10.449   6.116
  526    HA   PHE  95           HA       PHE  95   8.738  -8.235   4.477
  527    HB2  PHE  95           HB2      PHE  95  10.367  -9.329   6.777
  528    HB3  PHE  95           HB3      PHE  95  10.694  -7.780   6.008
  529    HD1  PHE  95           HD2      PHE  95   8.352  -9.667   8.097
  530    HD2  PHE  95           HD1      PHE  95   9.292  -5.880   6.409
  531    HE1  PHE  95           HE2      PHE  95   6.716  -8.601   9.591
  532    HE2  PHE  95           HE1      PHE  95   7.658  -4.803   7.900
  533    HZ   PHE  95           HZ       PHE  95   6.384  -6.149   9.502
  534    H    GLN  96           HN       GLN  96  10.178 -11.341   4.532
  535    HA   GLN  96           HA       GLN  96  12.555 -10.656   3.087
  536    HB2  GLN  96           HB2      GLN  96  11.189 -13.278   3.649
  537    HB3  GLN  96           HB3      GLN  96  12.674 -13.165   2.718
  538    HG2  GLN  96           HG2      GLN  96  12.259 -12.350   5.585
  539    HG3  GLN  96           HG3      GLN  96  13.198 -13.719   4.995
  540   HE21  GLN  96          HE21      GLN  96  14.355 -12.192   2.777
  541   HE22  GLN  96          HE22      GLN  96  15.528 -11.135   3.480
  542    H    LYS  97           HN       LYS  97   9.328 -11.742   2.233
  543    HA   LYS  97           HA       LYS  97   9.942 -12.016  -0.559
  544    HB2  LYS  97           HB2      LYS  97   7.860 -12.848   1.027
  545    HB3  LYS  97           HB3      LYS  97   7.141 -11.470   0.208
  546    HG2  LYS  97           HG2      LYS  97   8.431 -13.822  -1.160
  547    HG3  LYS  97           HG3      LYS  97   6.698 -13.594  -0.934
  548    HD2  LYS  97           HD2      LYS  97   6.776 -11.566  -2.282
  549    HD3  LYS  97           HD3      LYS  97   8.521 -11.754  -2.479
  550    HE2  LYS  97           HE2      LYS  97   6.446 -13.736  -3.411
  551    HE3  LYS  97           HE3      LYS  97   7.238 -12.545  -4.439
  552    HZ1  LYS  97           HZ1      LYS  97   8.255 -14.751  -4.592
  553    HZ2  LYS  97           HZ2      LYS  97   8.640 -14.698  -2.944
  554    HZ3  LYS  97           HZ3      LYS  97   9.348 -13.592  -4.016
  555    H    PHE  98           HN       PHE  98   9.171  -9.553   1.659
  556    HA   PHE  98           HA       PHE  98   8.459  -7.593  -0.360
  557    HB2  PHE  98           HB2      PHE  98   8.428  -7.679   2.619
  558    HB3  PHE  98           HB3      PHE  98   8.490  -6.112   1.814
  559    HD1  PHE  98           HD1      PHE  98   6.689  -5.356   0.426
  560    HD2  PHE  98           HD2      PHE  98   6.466  -9.067   2.488
  561    HE1  PHE  98           HE1      PHE  98   4.269  -5.414   0.034
  562    HE2  PHE  98           HE2      PHE  98   4.048  -9.142   2.086
  563    HZ   PHE  98           HZ       PHE  98   2.950  -7.317   0.863
  564    H    CYS  99           HN       CYS  99  11.179  -8.860  -0.100
  565    HA   CYS  99           HA       CYS  99  12.959  -6.793   0.744
  566    HB2  CYS  99           HB2      CYS  99  13.443  -9.299   0.571
  567    HB3  CYS  99           HB3      CYS  99  13.568  -9.035  -1.169
  568    HG   CYS  99           HG       CYS  99  15.491  -7.071   0.811
  569    H    MET 100           HN       MET 100  11.901  -5.035  -0.502
  570    HA   MET 100           HA       MET 100  13.027  -4.971  -3.212
  571    HB2  MET 100           HB2      MET 100  10.475  -3.757  -2.188
  572    HB3  MET 100           HB3      MET 100  11.278  -3.116  -3.612
  573    HG2  MET 100           HG2      MET 100   9.713  -4.521  -4.515
  574    HG3  MET 100           HG3      MET 100  11.161  -5.544  -4.468
  575    HE1  MET 100           HE1      MET 100   7.787  -4.662  -2.679
  576    HE2  MET 100           HE2      MET 100   7.784  -5.808  -1.337
  577    HE3  MET 100           HE3      MET 100   8.965  -4.498  -1.376
  578    H    SER 101           HN       SER 101  14.526  -3.521  -3.542
  579    HA   SER 101           HA       SER 101  14.662  -1.102  -1.992
  580    HB2  SER 101           HB2      SER 101  16.117  -0.495  -4.145
  581    HB3  SER 101           HB3      SER 101  16.760  -1.559  -2.893
  582    HG   SER 101           HG       SER 101  16.026  -2.114  -5.497
  583    H    GLY 102           HN       GLY 102  14.023   0.992  -3.006
  584    HA2  GLY 102           HA1      GLY 102  11.367   0.870  -3.678
  585    HA3  GLY 102           HA2      GLY 102  12.384   2.265  -3.954
  586    H    ALA 103           HN       ALA 103  14.073   1.168  -5.990
  587    HA   ALA 103           HA       ALA 103  12.455   1.555  -8.262
  588    HB1  ALA 103           HB1      ALA 103  14.888   1.948  -8.246
  589    HB2  ALA 103           HB2      ALA 103  15.153   0.210  -8.133
  590    HB3  ALA 103           HB3      ALA 103  14.391   0.895  -9.568
  591    H    ALA 104           HN       ALA 104  13.542  -1.291  -6.555
  592    HA   ALA 104           HA       ALA 104  12.450  -3.218  -8.334
  593    HB1  ALA 104           HB1      ALA 104  14.215  -3.797  -6.737
  594    HB2  ALA 104           HB2      ALA 104  13.120  -3.449  -5.395
  595    HB3  ALA 104           HB3      ALA 104  12.783  -4.797  -6.484
  596    H    LEU 105           HN       LEU 105  11.319  -1.830  -5.199
  597    HA   LEU 105           HA       LEU 105   8.902  -2.897  -4.908
  598    HB2  LEU 105           HB2      LEU 105   9.840  -1.194  -3.424
  599    HB3  LEU 105           HB3      LEU 105   9.569   0.044  -4.646
  600    HG   LEU 105           HG       LEU 105   7.138  -0.463  -4.528
  601   HD11  LEU 105          HD11      LEU 105   8.048  -2.222  -2.268
  602   HD12  LEU 105          HD12      LEU 105   6.382  -1.660  -2.456
  603   HD13  LEU 105          HD13      LEU 105   7.116  -2.679  -3.697
  604   HD21  LEU 105          HD21      LEU 105   8.416   0.374  -1.941
  605   HD22  LEU 105          HD22      LEU 105   8.077   1.417  -3.324
  606   HD23  LEU 105          HD23      LEU 105   6.745   0.683  -2.427
  607    H    CYS 106           HN       CYS 106   9.510  -0.045  -6.777
  608    HA   CYS 106           HA       CYS 106   6.994   0.256  -7.877
  609    HB2  CYS 106           HB2      CYS 106   8.706   1.990  -7.786
  610    HB3  CYS 106           HB3      CYS 106   9.678   1.097  -8.944
  611    HG   CYS 106           HG       CYS 106   6.689   1.656 -10.232
  612    H    ALA 107           HN       ALA 107   9.886  -1.299  -9.291
  613    HA   ALA 107           HA       ALA 107   8.821  -1.711 -11.821
  614    HB1  ALA 107           HB1      ALA 107  10.684  -3.175 -12.202
  615    HB2  ALA 107           HB2      ALA 107  11.209  -1.787 -11.250
  616    HB3  ALA 107           HB3      ALA 107  10.950  -3.347 -10.466
  617    H    LEU 108           HN       LEU 108   8.358  -3.660  -8.928
  618    HA   LEU 108           HA       LEU 108   7.910  -6.104 -10.200
  619    HB2  LEU 108           HB2      LEU 108   6.541  -6.668  -8.100
  620    HB3  LEU 108           HB3      LEU 108   8.245  -6.325  -7.921
  621    HG   LEU 108           HG       LEU 108   7.613  -4.004  -7.187
  622   HD11  LEU 108          HD11      LEU 108   4.841  -5.190  -7.147
  623   HD12  LEU 108          HD12      LEU 108   5.309  -3.679  -6.363
  624   HD13  LEU 108          HD13      LEU 108   5.391  -3.825  -8.118
  625   HD21  LEU 108          HD21      LEU 108   6.995  -4.717  -4.940
  626   HD22  LEU 108          HD22      LEU 108   6.588  -6.318  -5.557
  627   HD23  LEU 108          HD23      LEU 108   8.256  -5.745  -5.622
  628    H    GLY 109           HN       GLY 109   5.682  -3.424  -9.667
  629    HA2  GLY 109           HA1      GLY 109   3.571  -3.049 -10.530
  630    HA3  GLY 109           HA2      GLY 109   3.829  -4.421 -11.601
  631    H    LYS 110           HN       LYS 110   1.309  -3.953 -10.389
  632    HA   LYS 110           HA       LYS 110   0.990  -5.325  -7.981
  633    HB2  LYS 110           HB2      LYS 110  -1.286  -5.190  -8.240
  634    HB3  LYS 110           HB3      LYS 110  -0.721  -3.859  -9.225
  635    HG2  LYS 110           HG2      LYS 110  -2.069  -4.632 -10.780
  636    HG3  LYS 110           HG3      LYS 110  -0.923  -5.955 -11.021
  637    HD2  LYS 110           HD2      LYS 110  -2.911  -6.176  -8.839
  638    HD3  LYS 110           HD3      LYS 110  -3.504  -6.353 -10.489
  639    HE2  LYS 110           HE2      LYS 110  -1.124  -7.937  -9.593
  640    HE3  LYS 110           HE3      LYS 110  -2.734  -8.455  -9.100
  641    HZ1  LYS 110           HZ1      LYS 110  -3.378  -8.645 -11.393
  642    HZ2  LYS 110           HZ2      LYS 110  -1.949  -9.524 -11.154
  643    HZ3  LYS 110           HZ3      LYS 110  -1.894  -8.012 -11.923
  644    H    GLU 111           HN       GLU 111   1.070  -6.587 -11.286
  645    HA   GLU 111           HA       GLU 111   0.384  -9.178 -10.974
  646    HB2  GLU 111           HB2      GLU 111   2.945  -8.356 -12.355
  647    HB3  GLU 111           HB3      GLU 111   1.964  -9.772 -12.700
  648    HG2  GLU 111           HG2      GLU 111   1.313  -6.894 -13.254
  649    HG3  GLU 111           HG3      GLU 111   1.569  -8.197 -14.415
  650    H    CYS 112           HN       CYS 112   3.593  -7.880 -10.197
  651    HA   CYS 112           HA       CYS 112   4.432 -10.372  -9.036
  652    HB2  CYS 112           HB2      CYS 112   6.026  -8.873 -10.202
  653    HB3  CYS 112           HB3      CYS 112   5.782  -7.671  -8.944
  654    HG   CYS 112           HG       CYS 112   6.618 -10.380  -7.384
  655    H    PHE 113           HN       PHE 113   3.699  -7.104  -7.804
  656    HA   PHE 113           HA       PHE 113   4.255  -7.517  -5.154
  657    HB2  PHE 113           HB2      PHE 113   3.507  -5.366  -6.434
  658    HB3  PHE 113           HB3      PHE 113   1.896  -5.824  -5.900
  659    HD1  PHE 113           HD2      PHE 113   1.598  -6.279  -3.325
  660    HD2  PHE 113           HD1      PHE 113   4.870  -4.151  -5.070
  661    HE1  PHE 113           HE2      PHE 113   2.031  -5.156  -1.194
  662    HE2  PHE 113           HE1      PHE 113   5.294  -3.044  -2.929
  663    HZ   PHE 113           HZ       PHE 113   3.897  -3.784  -0.882
  664    H    LEU 114           HN       LEU 114   1.131  -8.228  -6.750
  665    HA   LEU 114           HA       LEU 114  -0.032  -8.895  -4.202
  666    HB2  LEU 114           HB2      LEU 114  -1.273  -9.797  -6.753
  667    HB3  LEU 114           HB3      LEU 114  -2.033  -9.295  -5.255
  668    HG   LEU 114           HG       LEU 114  -0.991  -7.630  -7.499
  669   HD11  LEU 114          HD11      LEU 114  -3.467  -7.727  -5.816
  670   HD12  LEU 114          HD12      LEU 114  -3.132  -6.454  -6.990
  671   HD13  LEU 114          HD13      LEU 114  -3.298  -8.126  -7.525
  672   HD21  LEU 114          HD21      LEU 114  -0.973  -5.638  -6.207
  673   HD22  LEU 114          HD22      LEU 114  -1.503  -6.504  -4.761
  674   HD23  LEU 114          HD23      LEU 114   0.107  -6.795  -5.419
  675    H    GLU 115           HN       GLU 115   1.662 -10.576  -6.677
  676    HA   GLU 115           HA       GLU 115   1.141 -13.178  -5.604
  677    HB2  GLU 115           HB2      GLU 115   3.213 -12.079  -7.493
  678    HB3  GLU 115           HB3      GLU 115   3.224 -13.758  -6.972
  679    HG2  GLU 115           HG2      GLU 115   0.805 -12.524  -8.237
  680    HG3  GLU 115           HG3      GLU 115   2.116 -13.204  -9.203
  681    H    LEU 116           HN       LEU 116   2.882 -10.504  -4.710
  682    HA   LEU 116           HA       LEU 116   5.131 -11.859  -3.479
  683    HB2  LEU 116           HB2      LEU 116   5.934  -9.998  -4.487
  684    HB3  LEU 116           HB3      LEU 116   4.410  -9.142  -4.361
  685    HG   LEU 116           HG       LEU 116   6.036  -9.492  -1.892
  686   HD11  LEU 116          HD11      LEU 116   7.317  -7.492  -2.440
  687   HD12  LEU 116          HD12      LEU 116   7.657  -8.793  -3.580
  688   HD13  LEU 116          HD13      LEU 116   6.592  -7.468  -4.048
  689   HD21  LEU 116          HD21      LEU 116   4.354  -7.257  -2.985
  690   HD22  LEU 116          HD22      LEU 116   3.821  -8.463  -1.816
  691   HD23  LEU 116          HD23      LEU 116   5.092  -7.319  -1.385
  692    H    ALA 117           HN       ALA 117   2.089 -10.454  -2.624
  693    HA   ALA 117           HA       ALA 117   2.612 -11.142   0.192
  694    HB1  ALA 117           HB1      ALA 117   1.309  -9.191   0.906
  695    HB2  ALA 117           HB2      ALA 117   2.717  -8.699  -0.036
  696    HB3  ALA 117           HB3      ALA 117   1.118  -8.696  -0.777
  697    HA   PRO 118           HA       PRO 118  -1.618 -12.944   0.309
  698    HB2  PRO 118           HB2      PRO 118  -2.430 -10.482   1.800
  699    HB3  PRO 118           HB3      PRO 118  -2.832 -12.173   2.131
  700    HG2  PRO 118           HG2      PRO 118  -0.972 -10.933   3.571
  701    HG3  PRO 118           HG3      PRO 118  -0.749 -12.620   3.072
  702    HD2  PRO 118           HD2      PRO 118   0.550 -10.154   2.044
  703    HD3  PRO 118           HD3      PRO 118   1.181 -11.810   2.144
  704    H    ASP 119           HN       ASP 119  -3.279 -12.772  -1.110
  705    HA   ASP 119           HA       ASP 119  -3.046 -10.950  -3.192
  706    HB2  ASP 119           HB2      ASP 119  -4.912 -11.986  -4.213
  707    HB3  ASP 119           HB3      ASP 119  -4.045 -13.239  -3.333
  708    H    PHE 120           HN       PHE 120  -4.690 -10.381  -0.211
  709    HA   PHE 120           HA       PHE 120  -6.250  -8.244  -1.414
  710    HB2  PHE 120           HB2      PHE 120  -7.319  -9.574   0.396
  711    HB3  PHE 120           HB3      PHE 120  -6.062  -9.022   1.497
  712    HD1  PHE 120           HD1      PHE 120  -7.437  -6.766  -1.034
  713    HD2  PHE 120           HD2      PHE 120  -7.678  -8.053   3.019
  714    HE1  PHE 120           HE1      PHE 120  -8.773  -4.774  -0.488
  715    HE2  PHE 120           HE2      PHE 120  -9.019  -6.064   3.572
  716    HZ   PHE 120           HZ       PHE 120  -9.565  -4.422   1.820
  717    H    VAL 121           HN       VAL 121  -3.609  -8.850   0.734
  718    HA   VAL 121           HA       VAL 121  -3.133  -6.194   1.513
  719    HB   VAL 121           HB       VAL 121  -1.336  -8.609   1.551
  720   HG11  VAL 121          HG11      VAL 121  -0.112  -6.497   1.785
  721   HG12  VAL 121          HG12      VAL 121  -1.177  -6.033   3.112
  722   HG13  VAL 121          HG13      VAL 121  -0.106  -7.423   3.290
  723   HG21  VAL 121          HG21      VAL 121  -3.124  -7.469   3.684
  724   HG22  VAL 121          HG22      VAL 121  -3.543  -8.839   2.651
  725   HG23  VAL 121          HG23      VAL 121  -2.179  -8.958   3.776
  726    H    GLY 122           HN       GLY 122  -1.825  -8.297  -1.005
  727    HA2  GLY 122           HA1      GLY 122   0.157  -6.741  -2.047
  728    HA3  GLY 122           HA2      GLY 122  -0.953  -7.700  -3.021
  729    H    ASP 123           HN       ASP 123  -3.352  -6.444  -2.792
  730    HA   ASP 123           HA       ASP 123  -2.900  -4.197  -4.507
  731    HB2  ASP 123           HB2      ASP 123  -5.542  -4.887  -3.204
  732    HB3  ASP 123           HB3      ASP 123  -5.269  -3.915  -4.646
  733    H    ILE 124           HN       ILE 124  -3.877  -4.685  -1.177
  734    HA   ILE 124           HA       ILE 124  -4.424  -2.112  -0.389
  735    HB   ILE 124           HB       ILE 124  -3.256  -4.481   1.011
  736   HG12  ILE 124          HG12      ILE 124  -5.734  -2.786   1.436
  737   HG13  ILE 124          HG13      ILE 124  -5.667  -4.331   0.589
  738   HG21  ILE 124          HG21      ILE 124  -3.204  -3.243   3.141
  739   HG22  ILE 124          HG22      ILE 124  -2.046  -2.577   1.986
  740   HG23  ILE 124          HG23      ILE 124  -3.572  -1.744   2.282
  741   HD11  ILE 124          HD11      ILE 124  -5.038  -5.457   2.642
  742   HD12  ILE 124          HD12      ILE 124  -5.023  -3.914   3.500
  743   HD13  ILE 124          HD13      ILE 124  -6.537  -4.556   2.861
  744    H    LEU 125           HN       LEU 125  -1.252  -3.642   0.038
  745    HA   LEU 125           HA       LEU 125   0.131  -1.259   0.433
  746    HB2  LEU 125           HB2      LEU 125   0.792  -4.070  -0.190
  747    HB3  LEU 125           HB3      LEU 125   2.048  -2.877  -0.503
  748    HG   LEU 125           HG       LEU 125   0.622  -3.140   2.133
  749   HD11  LEU 125          HD11      LEU 125   2.625  -4.266   2.939
  750   HD12  LEU 125          HD12      LEU 125   1.849  -5.191   1.655
  751   HD13  LEU 125          HD13      LEU 125   3.300  -4.249   1.309
  752   HD21  LEU 125          HD21      LEU 125   3.124  -1.695   1.271
  753   HD22  LEU 125          HD22      LEU 125   1.577  -0.958   1.694
  754   HD23  LEU 125          HD23      LEU 125   2.520  -1.796   2.927
  755    H    TRP 126           HN       TRP 126  -0.561  -3.065  -2.529
  756    HA   TRP 126           HA       TRP 126   1.030  -1.525  -4.252
  757    HB2  TRP 126           HB2      TRP 126   0.100  -3.616  -5.046
  758    HB3  TRP 126           HB3      TRP 126  -1.543  -3.007  -4.843
  759    HD1  TRP 126           HD1      TRP 126  -2.602  -2.045  -6.944
  760    HE1  TRP 126           HE1      TRP 126  -1.728  -1.064  -9.181
  761    HE3  TRP 126           HE3      TRP 126   2.405  -2.386  -6.067
  762    HZ2  TRP 126           HZ2      TRP 126   0.776  -0.540 -10.390
  763    HZ3  TRP 126           HZ3      TRP 126   3.977  -1.638  -7.804
  764    HH2  TRP 126           HH2      TRP 126   3.175  -0.740  -9.924
  765    H    GLU 127           HN       GLU 127  -2.313  -1.022  -3.122
  766    HA   GLU 127           HA       GLU 127  -2.906   1.217  -4.660
  767    HB2  GLU 127           HB2      GLU 127  -3.940   0.076  -2.189
  768    HB3  GLU 127           HB3      GLU 127  -4.019   1.837  -2.207
  769    HG2  GLU 127           HG2      GLU 127  -5.115   0.030  -4.347
  770    HG3  GLU 127           HG3      GLU 127  -6.063   0.782  -3.063
  771    H    HIS 128           HN       HIS 128  -1.642   1.240  -1.289
  772    HA   HIS 128           HA       HIS 128  -1.064   3.999  -1.406
  773    HB2  HIS 128           HB2      HIS 128  -1.034   2.553   0.714
  774    HB3  HIS 128           HB3      HIS 128   0.601   2.089   0.240
  775    HD1  HIS 128           HD1      HIS 128   1.039   3.383   2.677
  776    HD2  HIS 128           HD2      HIS 128   0.111   5.722  -0.636
  777    HE1  HIS 128           HE1      HIS 128   1.704   5.739   3.305
  778    HE2  HIS 128           HE2      HIS 128   1.036   7.149   1.326
  779    H    LEU 129           HN       LEU 129   0.863   1.206  -2.479
  780    HA   LEU 129           HA       LEU 129   3.239   2.497  -3.048
  781    HB2  LEU 129           HB2      LEU 129   2.797   0.054  -3.357
  782    HB3  LEU 129           HB3      LEU 129   1.820   0.437  -4.759
  783    HG   LEU 129           HG       LEU 129   3.650   0.899  -6.085
  784   HD11  LEU 129          HD11      LEU 129   4.535   2.625  -4.559
  785   HD12  LEU 129          HD12      LEU 129   5.284   1.351  -3.595
  786   HD13  LEU 129          HD13      LEU 129   5.800   1.613  -5.261
  787   HD21  LEU 129          HD21      LEU 129   5.329  -0.803  -5.695
  788   HD22  LEU 129          HD22      LEU 129   4.796  -0.978  -4.022
  789   HD23  LEU 129          HD23      LEU 129   3.725  -1.447  -5.342
  790    H    GLU 130           HN       GLU 130   0.307   2.186  -4.947
  791    HA   GLU 130           HA       GLU 130   1.197   3.827  -7.019
  792    HB2  GLU 130           HB2      GLU 130  -0.795   2.146  -6.951
  793    HB3  GLU 130           HB3      GLU 130  -1.714   3.506  -6.322
  794    HG2  GLU 130           HG2      GLU 130  -1.052   4.795  -8.350
  795    HG3  GLU 130           HG3      GLU 130  -0.329   3.319  -8.984
  796    H    ILE 131           HN       ILE 131  -0.851   4.450  -4.209
  797    HA   ILE 131           HA       ILE 131  -1.549   7.087  -4.570
  798    HB   ILE 131           HB       ILE 131  -1.046   5.428  -2.165
  799   HG12  ILE 131          HG12      ILE 131  -3.381   5.880  -1.678
  800   HG13  ILE 131          HG13      ILE 131  -3.448   7.088  -2.956
  801   HG21  ILE 131          HG21      ILE 131  -0.139   7.482  -1.382
  802   HG22  ILE 131          HG22      ILE 131  -1.461   8.405  -2.104
  803   HG23  ILE 131          HG23      ILE 131  -1.774   7.348  -0.724
  804   HD11  ILE 131          HD11      ILE 131  -4.550   5.065  -3.637
  805   HD12  ILE 131          HD12      ILE 131  -3.101   5.332  -4.611
  806   HD13  ILE 131          HD13      ILE 131  -3.088   4.128  -3.317
  807    H    LEU 132           HN       LEU 132   1.459   5.831  -3.165
  808    HA   LEU 132           HA       LEU 132   2.710   8.171  -2.421
  809    HB2  LEU 132           HB2      LEU 132   4.180   5.989  -3.884
  810    HB3  LEU 132           HB3      LEU 132   4.803   7.053  -2.641
  811    HG   LEU 132           HG       LEU 132   2.631   5.090  -2.005
  812   HD11  LEU 132          HD11      LEU 132   5.609   4.547  -2.096
  813   HD12  LEU 132          HD12      LEU 132   4.392   3.473  -1.404
  814   HD13  LEU 132          HD13      LEU 132   4.379   3.822  -3.132
  815   HD21  LEU 132          HD21      LEU 132   4.895   6.321  -0.398
  816   HD22  LEU 132          HD22      LEU 132   3.183   6.741  -0.293
  817   HD23  LEU 132          HD23      LEU 132   3.736   5.144   0.220
  818    H    GLN 133           HN       GLN 133   2.311   6.732  -5.531
  819    HA   GLN 133           HA       GLN 133   4.010   8.599  -6.909
  820    HB2  GLN 133           HB2      GLN 133   2.152   6.443  -7.926
  821    HB3  GLN 133           HB3      GLN 133   3.221   7.395  -8.947
  822    HG2  GLN 133           HG2      GLN 133   5.130   6.384  -8.118
  823    HG3  GLN 133           HG3      GLN 133   4.326   5.841  -6.648
  824   HE21  GLN 133          HE21      GLN 133   3.134   3.972  -6.669
  825   HE22  GLN 133          HE22      GLN 133   3.206   2.821  -7.961
  826    H    LYS 134           HN       LYS 134   0.526   8.005  -6.473
  827    HA   LYS 134           HA       LYS 134  -0.403   9.761  -8.357
  828    HB2  LYS 134           HB2      LYS 134  -1.548   8.544  -5.866
  829    HB3  LYS 134           HB3      LYS 134  -2.485   9.704  -6.825
  830    HG2  LYS 134           HG2      LYS 134  -3.023   8.100  -8.241
  831    HG3  LYS 134           HG3      LYS 134  -1.313   7.806  -8.585
  832    HD2  LYS 134           HD2      LYS 134  -1.879   5.775  -7.743
  833    HD3  LYS 134           HD3      LYS 134  -1.404   6.599  -6.246
  834    HE2  LYS 134           HE2      LYS 134  -3.468   5.503  -5.818
  835    HE3  LYS 134           HE3      LYS 134  -3.827   7.222  -5.964
  836    HZ1  LYS 134           HZ1      LYS 134  -4.593   6.835  -8.226
  837    HZ2  LYS 134           HZ2      LYS 134  -5.447   5.866  -7.133
  838    HZ3  LYS 134           HZ3      LYS 134  -4.225   5.183  -8.091
  839    H    GLU 135           HN       GLU 135   0.749  10.564  -5.111
  840    HA   GLU 135           HA       GLU 135  -0.528  12.936  -4.682
  841    HB2  GLU 135           HB2      GLU 135   1.231  11.899  -3.202
  842    HB3  GLU 135           HB3      GLU 135   2.445  12.613  -4.258
  843    HG2  GLU 135           HG2      GLU 135   1.486  14.840  -3.783
  844    HG3  GLU 135           HG3      GLU 135   0.375  14.083  -2.647
  845    H    ASP 136           HN       ASP 136   2.040  12.311  -6.998
  846    HA   ASP 136           HA       ASP 136   1.450  14.922  -8.206
  847    HB2  ASP 136           HB2      ASP 136   4.158  13.751  -7.631
  848    HB3  ASP 136           HB3      ASP 136   3.931  14.885  -8.959
  849    H    VAL 137           HN       VAL 137   0.321  12.406  -8.843
  850    HA   VAL 137           HA       VAL 137   1.585  11.572 -11.322
  851    HB   VAL 137           HB       VAL 137   0.383   9.966  -9.779
  852   HG11  VAL 137          HG11      VAL 137  -2.061  11.323 -10.904
  853   HG12  VAL 137          HG12      VAL 137  -2.067   9.798 -10.017
  854   HG13  VAL 137          HG13      VAL 137  -1.552  11.281  -9.213
  855   HG21  VAL 137          HG21      VAL 137  -0.540  10.078 -12.646
  856   HG22  VAL 137          HG22      VAL 137   0.950   9.345 -12.056
  857   HG23  VAL 137          HG23      VAL 137  -0.611   8.658 -11.602
  858    H    LYS 138           HN       LYS 138  -0.454  14.004 -10.320
  859    HA   LYS 138           HA       LYS 138  -1.695  14.294 -12.965
  860    HB2  LYS 138           HB2      LYS 138  -3.135  16.011 -11.727
  861    HB3  LYS 138           HB3      LYS 138  -3.401  14.316 -11.341
  862    HG2  LYS 138           HG2      LYS 138  -2.361  14.502  -9.257
  863    HG3  LYS 138           HG3      LYS 138  -1.551  16.006  -9.694
  864    HD2  LYS 138           HD2      LYS 138  -4.533  15.918  -9.641
  865    HD3  LYS 138           HD3      LYS 138  -3.645  16.018  -8.120
  866    HE2  LYS 138           HE2      LYS 138  -4.279  18.235  -8.962
  867    HE3  LYS 138           HE3      LYS 138  -2.533  18.037  -8.856
  868    HZ1  LYS 138           HZ1      LYS 138  -3.213  19.140 -10.904
  869    HZ2  LYS 138           HZ2      LYS 138  -4.135  17.789 -11.350
  870    HZ3  LYS 138           HZ3      LYS 138  -2.443  17.663 -11.229
  Start of MODEL    9
    1    H1   MET  29           H1       MET  29 -27.636   7.903  -8.440
    2    H2   MET  29           H2       MET  29 -29.289   8.232  -8.632
    3    H3   MET  29           H3       MET  29 -28.421   7.480  -9.882
    4    HA   MET  29           HA       MET  29 -28.995   6.334  -7.215
    5    HB2  MET  29           HB2      MET  29 -30.953   6.385  -8.683
    6    HB3  MET  29           HB3      MET  29 -30.023   5.639  -9.975
    7    HG2  MET  29           HG2      MET  29 -31.433   3.997  -8.935
    8    HG3  MET  29           HG3      MET  29 -29.743   3.632  -8.593
    9    HE1  MET  29           HE1      MET  29 -32.124   2.289  -7.008
   10    HE2  MET  29           HE2      MET  29 -30.422   1.975  -6.662
   11    HE3  MET  29           HE3      MET  29 -31.526   2.395  -5.351
   12    H    GLU  30           HN       GLU  30 -27.377   5.076  -6.568
   13    HA   GLU  30           HA       GLU  30 -25.426   4.043  -8.408
   14    HB2  GLU  30           HB2      GLU  30 -24.453   2.957  -6.413
   15    HB3  GLU  30           HB3      GLU  30 -24.722   4.674  -6.173
   16    HG2  GLU  30           HG2      GLU  30 -26.741   4.193  -4.899
   17    HG3  GLU  30           HG3      GLU  30 -26.498   2.467  -5.158
   18    H    CYS  31           HN       CYS  31 -25.047   1.863  -8.908
   19    HA   CYS  31           HA       CYS  31 -25.612  -0.237  -9.545
   20    HB2  CYS  31           HB2      CYS  31 -27.615  -0.076  -7.300
   21    HB3  CYS  31           HB3      CYS  31 -27.204  -1.539  -8.191
   22    HG   CYS  31           HG       CYS  31 -24.332  -0.794  -7.344
   23    H    ALA  32           HN       ALA  32 -27.765  -1.577 -10.189
   24    HA   ALA  32           HA       ALA  32 -28.913   0.084 -12.228
   25    HB1  ALA  32           HB1      ALA  32 -28.299  -2.238 -12.674
   26    HB2  ALA  32           HB2      ALA  32 -29.498  -2.785 -11.503
   27    HB3  ALA  32           HB3      ALA  32 -30.015  -1.962 -12.975
   28    H    ASP  33           HN       ASP  33 -30.403  -2.001  -9.773
   29    HA   ASP  33           HA       ASP  33 -32.566  -0.025  -9.551
   30    HB2  ASP  33           HB2      ASP  33 -34.130  -1.905  -9.114
   31    HB3  ASP  33           HB3      ASP  33 -33.439  -1.935 -10.731
   32    H    VAL  34           HN       VAL  34 -30.393  -2.175  -7.870
   33    HA   VAL  34           HA       VAL  34 -31.303  -1.035  -5.331
   34    HB   VAL  34           HB       VAL  34 -31.053  -4.014  -5.820
   35   HG11  VAL  34          HG11      VAL  34 -31.408  -2.533  -3.213
   36   HG12  VAL  34          HG12      VAL  34 -31.507  -4.282  -3.424
   37   HG13  VAL  34          HG13      VAL  34 -29.983  -3.446  -3.712
   38   HG21  VAL  34          HG21      VAL  34 -33.222  -3.075  -6.435
   39   HG22  VAL  34          HG22      VAL  34 -33.363  -4.083  -4.996
   40   HG23  VAL  34          HG23      VAL  34 -33.362  -2.327  -4.844
   41    HA   PRO  35           HA       PRO  35 -26.876  -0.519  -4.919
   42    HB2  PRO  35           HB2      PRO  35 -27.708  -0.322  -2.060
   43    HB3  PRO  35           HB3      PRO  35 -26.664   0.748  -3.005
   44    HG2  PRO  35           HG2      PRO  35 -29.146   1.482  -2.459
   45    HG3  PRO  35           HG3      PRO  35 -28.463   1.777  -4.068
   46    HD2  PRO  35           HD2      PRO  35 -30.387  -0.335  -3.188
   47    HD3  PRO  35           HD3      PRO  35 -30.356   0.606  -4.694
   48    H    LEU  36           HN       LEU  36 -25.517  -2.135  -4.912
   49    HA   LEU  36           HA       LEU  36 -25.978  -4.417  -3.100
   50    HB2  LEU  36           HB2      LEU  36 -24.600  -4.359  -5.792
   51    HB3  LEU  36           HB3      LEU  36 -24.769  -5.774  -4.772
   52    HG   LEU  36           HG       LEU  36 -27.075  -4.261  -6.000
   53   HD11  LEU  36          HD11      LEU  36 -25.817  -6.878  -6.807
   54   HD12  LEU  36          HD12      LEU  36 -27.278  -6.173  -7.502
   55   HD13  LEU  36          HD13      LEU  36 -25.725  -5.362  -7.703
   56   HD21  LEU  36          HD21      LEU  36 -27.668  -5.379  -3.922
   57   HD22  LEU  36          HD22      LEU  36 -28.391  -6.208  -5.302
   58   HD23  LEU  36          HD23      LEU  36 -26.964  -6.884  -4.515
   59    H    LEU  37           HN       LEU  37 -24.774  -2.516  -1.852
   60    HA   LEU  37           HA       LEU  37 -21.916  -2.500  -2.320
   61    HB2  LEU  37           HB2      LEU  37 -23.006  -0.407  -1.758
   62    HB3  LEU  37           HB3      LEU  37 -23.626  -1.097  -0.270
   63    HG   LEU  37           HG       LEU  37 -21.261  -1.370   0.507
   64   HD11  LEU  37          HD11      LEU  37 -19.519  -0.100  -0.632
   65   HD12  LEU  37          HD12      LEU  37 -20.177  -1.359  -1.675
   66   HD13  LEU  37          HD13      LEU  37 -20.654   0.322  -1.913
   67   HD21  LEU  37          HD21      LEU  37 -22.165   1.429  -0.154
   68   HD22  LEU  37          HD22      LEU  37 -22.642   0.484   1.257
   69   HD23  LEU  37          HD23      LEU  37 -20.965   0.993   1.062
   70    H    THR  38           HN       THR  38 -20.835  -4.219  -1.627
   71    HA   THR  38           HA       THR  38 -21.191  -4.949   1.202
   72    HB   THR  38           HB       THR  38 -21.893  -6.869  -0.026
   73    HG1  THR  38           HG1      THR  38 -20.653  -7.624   1.599
   74   HG21  THR  38          HG21      THR  38 -20.524  -7.956  -1.756
   75   HG22  THR  38          HG22      THR  38 -19.356  -6.638  -1.648
   76   HG23  THR  38          HG23      THR  38 -20.994  -6.319  -2.220
   77    HA   PRO  39           HA       PRO  39 -17.088  -3.167   1.068
   78    HB2  PRO  39           HB2      PRO  39 -17.350  -3.091   3.972
   79    HB3  PRO  39           HB3      PRO  39 -17.222  -1.750   2.832
   80    HG2  PRO  39           HG2      PRO  39 -19.496  -2.289   4.180
   81    HG3  PRO  39           HG3      PRO  39 -19.495  -1.607   2.541
   82    HD2  PRO  39           HD2      PRO  39 -19.912  -4.454   3.403
   83    HD3  PRO  39           HD3      PRO  39 -20.813  -3.504   2.200
   84    H    SER  40           HN       SER  40 -16.953  -5.794   0.644
   85    HA   SER  40           HA       SER  40 -15.687  -7.054   2.934
   86    HB2  SER  40           HB2      SER  40 -17.282  -8.323   1.502
   87    HB3  SER  40           HB3      SER  40 -16.147  -8.180   0.160
   88    HG   SER  40           HG       SER  40 -14.932  -9.141   2.400
   89    H    SER  41           HN       SER  41 -14.723  -6.573  -0.521
   90    HA   SER  41           HA       SER  41 -11.991  -7.075   0.322
   91    HB2  SER  41           HB2      SER  41 -11.562  -6.980  -2.180
   92    HB3  SER  41           HB3      SER  41 -12.633  -8.266  -1.619
   93    HG   SER  41           HG       SER  41 -13.147  -6.462  -3.451
   94    H    LYS  42           HN       LYS  42 -13.342  -4.611  -1.935
   95    HA   LYS  42           HA       LYS  42 -10.925  -3.103  -1.421
   96    HB2  LYS  42           HB2      LYS  42 -11.969  -3.467  -3.737
   97    HB3  LYS  42           HB3      LYS  42 -13.093  -2.192  -3.279
   98    HG2  LYS  42           HG2      LYS  42 -11.493  -0.942  -4.327
   99    HG3  LYS  42           HG3      LYS  42 -10.856  -0.906  -2.667
  100    HD2  LYS  42           HD2      LYS  42  -9.360  -2.756  -3.196
  101    HD3  LYS  42           HD3      LYS  42 -10.007  -2.836  -4.838
  102    HE2  LYS  42           HE2      LYS  42  -8.696  -0.380  -3.686
  103    HE3  LYS  42           HE3      LYS  42  -7.819  -1.615  -4.589
  104    HZ1  LYS  42           HZ1      LYS  42  -8.917  -1.085  -6.537
  105    HZ2  LYS  42           HZ2      LYS  42  -8.697   0.439  -5.827
  106    HZ3  LYS  42           HZ3      LYS  42 -10.208  -0.322  -5.746
  107    H    GLU  43           HN       GLU  43 -14.313  -2.836  -0.566
  108    HA   GLU  43           HA       GLU  43 -14.314  -0.021  -0.299
  109    HB2  GLU  43           HB2      GLU  43 -16.361  -1.445  -0.516
  110    HB3  GLU  43           HB3      GLU  43 -16.107  -1.967   1.142
  111    HG2  GLU  43           HG2      GLU  43 -17.782  -0.198   0.971
  112    HG3  GLU  43           HG3      GLU  43 -16.396   0.282   1.949
  113    H    MET  44           HN       MET  44 -13.503  -2.650   1.911
  114    HA   MET  44           HA       MET  44 -13.155  -1.238   4.258
  115    HB2  MET  44           HB2      MET  44 -11.551  -3.506   3.088
  116    HB3  MET  44           HB3      MET  44 -11.252  -2.869   4.699
  117    HG2  MET  44           HG2      MET  44 -13.858  -4.049   3.762
  118    HG3  MET  44           HG3      MET  44 -12.633  -4.909   4.689
  119    HE1  MET  44           HE1      MET  44 -14.930  -1.658   4.750
  120    HE2  MET  44           HE2      MET  44 -15.901  -3.123   4.887
  121    HE3  MET  44           HE3      MET  44 -15.786  -2.009   6.251
  122    H    MET  45           HN       MET  45 -10.580  -1.883   1.862
  123    HA   MET  45           HA       MET  45  -8.812   0.017   2.957
  124    HB2  MET  45           HB2      MET  45  -7.481  -0.281   0.970
  125    HB3  MET  45           HB3      MET  45  -8.088  -1.842   1.512
  126    HG2  MET  45           HG2      MET  45  -9.987  -1.395  -0.200
  127    HG3  MET  45           HG3      MET  45  -8.847  -0.228  -0.877
  128    HE1  MET  45           HE1      MET  45  -6.088  -1.561  -0.329
  129    HE2  MET  45           HE2      MET  45  -5.819  -2.498  -1.802
  130    HE3  MET  45           HE3      MET  45  -6.506  -0.877  -1.896
  131    H    SER  46           HN       SER  46 -11.319   0.314   0.517
  132    HA   SER  46           HA       SER  46 -10.755   2.800  -0.522
  133    HB2  SER  46           HB2      SER  46 -12.612   1.485  -1.322
  134    HB3  SER  46           HB3      SER  46 -13.417   1.587   0.242
  135    HG   SER  46           HG       SER  46 -14.366   3.247  -0.596
  136    H    GLN  47           HN       GLN  47 -12.705   2.128   2.390
  137    HA   GLN  47           HA       GLN  47 -12.604   4.878   3.159
  138    HB2  GLN  47           HB2      GLN  47 -13.686   4.104   5.269
  139    HB3  GLN  47           HB3      GLN  47 -14.551   3.665   3.807
  140    HG2  GLN  47           HG2      GLN  47 -13.426   1.407   3.984
  141    HG3  GLN  47           HG3      GLN  47 -12.922   1.897   5.601
  142   HE21  GLN  47          HE21      GLN  47 -15.592   1.072   3.554
  143   HE22  GLN  47          HE22      GLN  47 -16.768   0.857   4.809
  144    H    ALA  48           HN       ALA  48 -11.015   1.926   4.418
  145    HA   ALA  48           HA       ALA  48  -9.683   3.322   6.493
  146    HB1  ALA  48           HB1      ALA  48  -8.921   0.664   5.307
  147    HB2  ALA  48           HB2      ALA  48  -8.424   1.303   6.874
  148    HB3  ALA  48           HB3      ALA  48 -10.119   0.906   6.579
  149    H    LEU  49           HN       LEU  49  -8.396   2.091   3.331
  150    HA   LEU  49           HA       LEU  49  -5.753   2.964   3.968
  151    HB2  LEU  49           HB2      LEU  49  -7.111   1.675   1.663
  152    HB3  LEU  49           HB3      LEU  49  -5.738   2.699   1.269
  153    HG   LEU  49           HG       LEU  49  -5.746   0.237   2.981
  154   HD11  LEU  49          HD11      LEU  49  -4.291   0.991   0.455
  155   HD12  LEU  49          HD12      LEU  49  -4.212  -0.565   1.277
  156   HD13  LEU  49          HD13      LEU  49  -5.723  -0.032   0.539
  157   HD21  LEU  49          HD21      LEU  49  -3.492   2.192   2.532
  158   HD22  LEU  49          HD22      LEU  49  -4.311   1.889   4.060
  159   HD23  LEU  49          HD23      LEU  49  -3.342   0.619   3.311
  160    H    LYS  50           HN       LYS  50  -8.168   4.004   1.602
  161    HA   LYS  50           HA       LYS  50  -6.563   5.958   0.471
  162    HB2  LYS  50           HB2      LYS  50  -9.578   6.023   0.524
  163    HB3  LYS  50           HB3      LYS  50  -8.505   6.668  -0.713
  164    HG2  LYS  50           HG2      LYS  50  -8.929   3.758  -0.056
  165    HG3  LYS  50           HG3      LYS  50  -9.528   4.615  -1.477
  166    HD2  LYS  50           HD2      LYS  50  -6.596   4.326  -0.799
  167    HD3  LYS  50           HD3      LYS  50  -7.463   3.235  -1.880
  168    HE2  LYS  50           HE2      LYS  50  -7.449   6.205  -2.326
  169    HE3  LYS  50           HE3      LYS  50  -6.137   5.184  -2.911
  170    HZ1  LYS  50           HZ1      LYS  50  -7.919   5.596  -4.562
  171    HZ2  LYS  50           HZ2      LYS  50  -9.003   4.745  -3.575
  172    HZ3  LYS  50           HZ3      LYS  50  -7.654   3.953  -4.239
  173    H    ALA  51           HN       ALA  51  -8.663   6.074   3.246
  174    HA   ALA  51           HA       ALA  51  -8.360   8.917   3.650
  175    HB1  ALA  51           HB1      ALA  51 -10.346   7.761   4.470
  176    HB2  ALA  51           HB2      ALA  51  -9.341   6.812   5.566
  177    HB3  ALA  51           HB3      ALA  51  -9.472   8.559   5.776
  178    H    THR  52           HN       THR  52  -6.829   5.961   4.890
  179    HA   THR  52           HA       THR  52  -5.562   7.272   7.091
  180    HB   THR  52           HB       THR  52  -6.202   4.804   6.944
  181    HG1  THR  52           HG1      THR  52  -4.654   4.331   8.438
  182   HG21  THR  52          HG21      THR  52  -3.549   4.643   5.493
  183   HG22  THR  52          HG22      THR  52  -5.129   4.310   4.782
  184   HG23  THR  52          HG23      THR  52  -4.502   3.272   6.066
  185    H    PHE  53           HN       PHE  53  -4.804   7.252   3.825
  186    HA   PHE  53           HA       PHE  53  -2.150   6.530   3.732
  187    HB2  PHE  53           HB2      PHE  53  -3.700   8.458   2.029
  188    HB3  PHE  53           HB3      PHE  53  -2.015   8.069   1.700
  189    HD1  PHE  53           HD2      PHE  53  -2.093   5.167   2.478
  190    HD2  PHE  53           HD1      PHE  53  -4.727   7.551   0.147
  191    HE1  PHE  53           HE2      PHE  53  -2.813   3.170   1.247
  192    HE2  PHE  53           HE1      PHE  53  -5.459   5.551  -1.078
  193    HZ   PHE  53           HZ       PHE  53  -4.442   3.345  -0.546
  194    H    SER  54           HN       SER  54  -3.482   9.558   4.819
  195    HA   SER  54           HA       SER  54  -1.196  11.158   4.540
  196    HB2  SER  54           HB2      SER  54  -2.276  12.554   6.340
  197    HB3  SER  54           HB3      SER  54  -3.324  12.191   4.970
  198    HG   SER  54           HG       SER  54  -4.648  11.423   6.400
  199    H    GLY  55           HN       GLY  55  -2.032   8.691   6.809
  200    HA2  GLY  55           HA1      GLY  55  -0.522   9.334   9.033
  201    HA3  GLY  55           HA2      GLY  55  -0.855   7.697   8.489
  202    H    PHE  56           HN       PHE  56   0.579   7.133   6.435
  203    HA   PHE  56           HA       PHE  56   3.270   7.250   7.425
  204    HB2  PHE  56           HB2      PHE  56   2.455   5.200   6.335
  205    HB3  PHE  56           HB3      PHE  56   2.238   6.086   4.828
  206    HD1  PHE  56           HD1      PHE  56   4.753   4.867   7.242
  207    HD2  PHE  56           HD2      PHE  56   4.051   6.484   3.368
  208    HE1  PHE  56           HE1      PHE  56   7.087   4.401   6.627
  209    HE2  PHE  56           HE2      PHE  56   6.385   6.018   2.748
  210    HZ   PHE  56           HZ       PHE  56   7.907   4.972   4.378
  211    H    THR  57           HN       THR  57   1.556   8.491   4.630
  212    HA   THR  57           HA       THR  57   3.721   9.442   3.151
  213    HB   THR  57           HB       THR  57   0.967  10.657   3.307
  214    HG1  THR  57           HG1      THR  57   0.812   9.266   1.295
  215   HG21  THR  57          HG21      THR  57   2.601  12.095   2.163
  216   HG22  THR  57          HG22      THR  57   1.411  11.445   1.036
  217   HG23  THR  57          HG23      THR  57   3.031  10.752   1.102
  218    H    LYS  58           HN       LYS  58   2.249  10.782   5.995
  219    HA   LYS  58           HA       LYS  58   3.304  13.451   5.515
  220    HB2  LYS  58           HB2      LYS  58   1.443  13.939   6.665
  221    HB3  LYS  58           HB3      LYS  58   1.293  12.305   7.282
  222    HG2  LYS  58           HG2      LYS  58   3.396  13.946   8.531
  223    HG3  LYS  58           HG3      LYS  58   1.733  14.465   8.819
  224    HD2  LYS  58           HD2      LYS  58   1.181  12.174   9.562
  225    HD3  LYS  58           HD3      LYS  58   2.870  11.716   9.340
  226    HE2  LYS  58           HE2      LYS  58   3.567  13.263  11.042
  227    HE3  LYS  58           HE3      LYS  58   1.931  13.907  11.184
  228    HZ1  LYS  58           HZ1      LYS  58   2.425  12.358  12.968
  229    HZ2  LYS  58           HZ2      LYS  58   2.758  11.130  11.849
  230    HZ3  LYS  58           HZ3      LYS  58   1.187  11.749  11.980
  231    H    GLU  59           HN       GLU  59   3.920  10.629   7.480
  232    HA   GLU  59           HA       GLU  59   6.084  11.933   8.903
  233    HB2  GLU  59           HB2      GLU  59   5.309  10.507  10.437
  234    HB3  GLU  59           HB3      GLU  59   4.497   9.501   9.243
  235    HG2  GLU  59           HG2      GLU  59   6.154   8.031   9.197
  236    HG3  GLU  59           HG3      GLU  59   7.404   9.279   9.271
  237    H    GLN  60           HN       GLN  60   5.549   9.906   6.204
  238    HA   GLN  60           HA       GLN  60   8.038   8.858   5.618
  239    HB2  GLN  60           HB2      GLN  60   6.040   8.403   4.311
  240    HB3  GLN  60           HB3      GLN  60   5.938  10.085   3.822
  241    HG2  GLN  60           HG2      GLN  60   8.058   9.816   2.608
  242    HG3  GLN  60           HG3      GLN  60   8.034   8.095   3.021
  243   HE21  GLN  60          HE21      GLN  60   7.880   7.510   0.859
  244   HE22  GLN  60          HE22      GLN  60   6.427   7.704  -0.050
  245    H    GLN  61           HN       GLN  61   6.683  12.000   4.796
  246    HA   GLN  61           HA       GLN  61   8.982  13.142   3.622
  247    HB2  GLN  61           HB2      GLN  61   6.721  14.447   5.153
  248    HB3  GLN  61           HB3      GLN  61   7.883  15.306   4.147
  249    HG2  GLN  61           HG2      GLN  61   5.861  13.276   3.230
  250    HG3  GLN  61           HG3      GLN  61   5.815  15.017   2.949
  251   HE21  GLN  61          HE21      GLN  61   7.264  12.001   2.051
  252   HE22  GLN  61          HE22      GLN  61   8.074  12.572   0.637
  253    H    ARG  62           HN       ARG  62   7.841  12.852   6.898
  254    HA   ARG  62           HA       ARG  62   9.580  14.682   8.170
  255    HB2  ARG  62           HB2      ARG  62   7.401  13.802   9.035
  256    HB3  ARG  62           HB3      ARG  62   8.185  12.257   9.314
  257    HG2  ARG  62           HG2      ARG  62   8.040  13.450  11.369
  258    HG3  ARG  62           HG3      ARG  62   9.736  13.371  10.872
  259    HD2  ARG  62           HD2      ARG  62   9.563  15.642   9.959
  260    HD3  ARG  62           HD3      ARG  62   7.881  15.717  10.487
  261    HE   ARG  62           HE       ARG  62   9.912  15.182  12.503
  262   HH11  ARG  62          HH12      ARG  62   7.736  17.458  10.985
  263   HH12  ARG  62          HH11      ARG  62   7.731  18.567  12.320
  264   HH21  ARG  62          HH22      ARG  62   9.913  16.653  14.292
  265   HH22  ARG  62          HH21      ARG  62   8.963  18.104  14.204
  266    H    LEU  63           HN       LEU  63   9.615  11.175   7.838
  267    HA   LEU  63           HA       LEU  63  12.148  10.741   9.039
  268    HB2  LEU  63           HB2      LEU  63  10.399   9.062   7.275
  269    HB3  LEU  63           HB3      LEU  63  11.937   8.491   7.892
  270    HG   LEU  63           HG       LEU  63   9.830   9.493   9.775
  271   HD11  LEU  63          HD11      LEU  63  10.029   6.735   8.574
  272   HD12  LEU  63          HD12      LEU  63   9.098   7.134  10.020
  273   HD13  LEU  63          HD13      LEU  63   8.668   7.856   8.471
  274   HD21  LEU  63          HD21      LEU  63  12.091   9.137  10.622
  275   HD22  LEU  63          HD22      LEU  63  10.962   7.973  11.315
  276   HD23  LEU  63          HD23      LEU  63  12.060   7.478  10.026
  277    H    GLY  64           HN       GLY  64  11.618  12.472   6.438
  278    HA2  GLY  64           HA1      GLY  64  12.931  13.121   4.673
  279    HA3  GLY  64           HA2      GLY  64  14.233  12.186   5.400
  280    H    ILE  65           HN       ILE  65  11.345  10.453   4.858
  281    HA   ILE  65           HA       ILE  65  12.706   8.789   2.989
  282    HB   ILE  65           HB       ILE  65   9.856   8.618   3.970
  283   HG12  ILE  65          HG12      ILE  65  12.372   7.169   4.810
  284   HG13  ILE  65          HG13      ILE  65  11.361   8.213   5.805
  285   HG21  ILE  65          HG21      ILE  65  11.484   6.639   2.369
  286   HG22  ILE  65          HG22      ILE  65   9.885   6.333   3.047
  287   HG23  ILE  65          HG23      ILE  65  10.093   7.559   1.797
  288   HD11  ILE  65          HD11      ILE  65  11.019   5.869   6.348
  289   HD12  ILE  65          HD12      ILE  65   9.551   6.575   5.672
  290   HD13  ILE  65          HD13      ILE  65  10.568   5.528   4.674
  291    HA   PRO  66           HA       PRO  66  11.366  10.994  -0.702
  292    HB2  PRO  66           HB2      PRO  66  11.541   8.192  -1.696
  293    HB3  PRO  66           HB3      PRO  66  12.208   9.671  -2.395
  294    HG2  PRO  66           HG2      PRO  66  13.738   7.888  -1.096
  295    HG3  PRO  66           HG3      PRO  66  14.062   9.631  -1.032
  296    HD2  PRO  66           HD2      PRO  66  12.979   7.833   1.042
  297    HD3  PRO  66           HD3      PRO  66  13.838   9.375   1.214
  298    H    LYS  67           HN       LYS  67   9.300  11.388  -1.297
  299    HA   LYS  67           HA       LYS  67   7.090   9.957  -0.305
  300    HB2  LYS  67           HB2      LYS  67   5.772  11.352  -1.909
  301    HB3  LYS  67           HB3      LYS  67   6.895  12.289  -0.929
  302    HG2  LYS  67           HG2      LYS  67   8.460  12.407  -2.758
  303    HG3  LYS  67           HG3      LYS  67   7.427  11.374  -3.750
  304    HD2  LYS  67           HD2      LYS  67   5.676  13.101  -3.677
  305    HD3  LYS  67           HD3      LYS  67   6.741  14.129  -2.715
  306    HE2  LYS  67           HE2      LYS  67   8.384  14.104  -4.560
  307    HE3  LYS  67           HE3      LYS  67   7.261  13.147  -5.521
  308    HZ1  LYS  67           HZ1      LYS  67   7.090  15.438  -6.142
  309    HZ2  LYS  67           HZ2      LYS  67   6.826  15.912  -4.534
  310    HZ3  LYS  67           HZ3      LYS  67   5.661  14.988  -5.348
  311    H    ASP  68           HN       ASP  68   8.930   9.619  -3.196
  312    HA   ASP  68           HA       ASP  68   6.942   8.057  -4.626
  313    HB2  ASP  68           HB2      ASP  68   8.316   9.708  -5.818
  314    HB3  ASP  68           HB3      ASP  68   9.782   8.887  -5.289
  315    HA   PRO  69           HA       PRO  69   8.627   4.107  -3.407
  316    HB2  PRO  69           HB2      PRO  69   7.900   2.984  -5.985
  317    HB3  PRO  69           HB3      PRO  69   7.181   2.693  -4.403
  318    HG2  PRO  69           HG2      PRO  69   5.912   4.023  -6.403
  319    HG3  PRO  69           HG3      PRO  69   5.592   4.312  -4.683
  320    HD2  PRO  69           HD2      PRO  69   7.224   5.906  -6.605
  321    HD3  PRO  69           HD3      PRO  69   6.165   6.459  -5.291
  322    H    ARG  70           HN       ARG  70   9.315   4.978  -6.804
  323    HA   ARG  70           HA       ARG  70  11.058   2.755  -7.088
  324    HB2  ARG  70           HB2      ARG  70  11.644   3.965  -9.343
  325    HB3  ARG  70           HB3      ARG  70  10.117   3.139  -9.101
  326    HG2  ARG  70           HG2      ARG  70  10.331   6.061  -8.547
  327    HG3  ARG  70           HG3      ARG  70  10.169   5.476 -10.203
  328    HD2  ARG  70           HD2      ARG  70   8.276   4.181  -8.425
  329    HD3  ARG  70           HD3      ARG  70   8.110   5.945  -8.385
  330    HE   ARG  70           HE       ARG  70   7.916   4.281 -10.823
  331   HH11  ARG  70          HH12      ARG  70   7.138   7.199  -9.013
  332   HH12  ARG  70          HH11      ARG  70   6.038   7.788 -10.229
  333   HH21  ARG  70          HH22      ARG  70   6.477   5.072 -12.403
  334   HH22  ARG  70          HH21      ARG  70   5.643   6.583 -12.131
  335    H    GLN  71           HN       GLN  71  11.861   5.306  -5.348
  336    HA   GLN  71           HA       GLN  71  14.678   4.867  -6.066
  337    HB2  GLN  71           HB2      GLN  71  15.308   7.089  -5.767
  338    HB3  GLN  71           HB3      GLN  71  13.755   7.232  -6.583
  339    HG2  GLN  71           HG2      GLN  71  14.192   7.469  -3.613
  340    HG3  GLN  71           HG3      GLN  71  13.979   8.815  -4.734
  341   HE21  GLN  71          HE21      GLN  71  12.407   5.973  -3.358
  342   HE22  GLN  71          HE22      GLN  71  10.787   6.532  -3.603
  343    H    TRP  72           HN       TRP  72  12.637   3.878  -3.939
  344    HA   TRP  72           HA       TRP  72  13.672   4.764  -1.451
  345    HB2  TRP  72           HB2      TRP  72  11.731   2.711  -2.433
  346    HB3  TRP  72           HB3      TRP  72  12.358   2.521  -0.797
  347    HD1  TRP  72           HD1      TRP  72  12.247   6.030  -0.842
  348    HE1  TRP  72           HE1      TRP  72   9.972   6.977  -0.106
  349    HE3  TRP  72           HE3      TRP  72   9.423   1.824  -1.341
  350    HZ2  TRP  72           HZ2      TRP  72   7.318   6.045   0.224
  351    HZ3  TRP  72           HZ3      TRP  72   7.036   1.928  -0.796
  352    HH2  TRP  72           HH2      TRP  72   6.005   3.996  -0.029
  353    H    THR  73           HN       THR  73  14.814   3.487   0.105
  354    HA   THR  73           HA       THR  73  16.489   1.378  -0.936
  355    HB   THR  73           HB       THR  73  17.380   1.320   1.395
  356    HG1  THR  73           HG1      THR  73  16.602   2.945   2.850
  357   HG21  THR  73          HG21      THR  73  17.220   4.112   0.236
  358   HG22  THR  73          HG22      THR  73  18.356   2.860  -0.272
  359   HG23  THR  73          HG23      THR  73  18.440   3.518   1.363
  360    H    GLU  74           HN       GLU  74  16.574  -0.695   0.494
  361    HA   GLU  74           HA       GLU  74  14.149  -2.038   0.432
  362    HB2  GLU  74           HB2      GLU  74  16.560  -2.521   2.183
  363    HB3  GLU  74           HB3      GLU  74  15.211  -3.639   2.044
  364    HG2  GLU  74           HG2      GLU  74  15.666  -3.875  -0.353
  365    HG3  GLU  74           HG3      GLU  74  17.041  -2.784  -0.185
  366    H    THR  75           HN       THR  75  15.685  -0.289   3.099
  367    HA   THR  75           HA       THR  75  13.866  -0.920   5.112
  368    HB   THR  75           HB       THR  75  15.404   1.666   4.800
  369    HG1  THR  75           HG1      THR  75  16.914   0.424   6.217
  370   HG21  THR  75          HG21      THR  75  13.682   1.695   6.564
  371   HG22  THR  75          HG22      THR  75  15.315   1.759   7.229
  372   HG23  THR  75          HG23      THR  75  14.404   0.251   7.274
  373    H    HIS  76           HN       HIS  76  13.743   1.635   2.637
  374    HA   HIS  76           HA       HIS  76  11.680   3.095   4.012
  375    HB2  HIS  76           HB2      HIS  76  12.854   3.357   1.241
  376    HB3  HIS  76           HB3      HIS  76  11.562   4.395   1.834
  377    HD1  HIS  76           HD1      HIS  76  14.601   5.221   1.070
  378    HD2  HIS  76           HD2      HIS  76  12.922   4.851   4.854
  379    HE1  HIS  76           HE1      HIS  76  16.018   6.632   2.571
  380    HE2  HIS  76           HE2      HIS  76  14.866   6.555   4.819
  381    H    VAL  77           HN       VAL  77  11.858   0.836   1.338
  382    HA   VAL  77           HA       VAL  77   9.172   0.887   0.574
  383    HB   VAL  77           HB       VAL  77  11.246  -1.307   0.418
  384   HG11  VAL  77          HG11      VAL  77   8.520  -1.182  -0.859
  385   HG12  VAL  77          HG12      VAL  77   9.765  -2.373  -1.228
  386   HG13  VAL  77          HG13      VAL  77   9.049  -2.319   0.382
  387   HG21  VAL  77          HG21      VAL  77  10.195   0.613  -1.669
  388   HG22  VAL  77          HG22      VAL  77  11.773   0.698  -0.887
  389   HG23  VAL  77          HG23      VAL  77  11.386  -0.658  -1.948
  390    H    ARG  78           HN       ARG  78  10.950  -1.272   2.785
  391    HA   ARG  78           HA       ARG  78   8.752  -2.776   3.637
  392    HB2  ARG  78           HB2      ARG  78  11.394  -2.139   4.890
  393    HB3  ARG  78           HB3      ARG  78  10.207  -3.134   5.726
  394    HG2  ARG  78           HG2      ARG  78  10.184  -4.626   3.690
  395    HG3  ARG  78           HG3      ARG  78  11.578  -3.713   3.107
  396    HD2  ARG  78           HD2      ARG  78  11.497  -5.046   5.804
  397    HD3  ARG  78           HD3      ARG  78  12.079  -5.859   4.352
  398    HE   ARG  78           HE       ARG  78  13.850  -4.210   4.230
  399   HH11  ARG  78          HH12      ARG  78  12.058  -4.324   7.244
  400   HH12  ARG  78          HH11      ARG  78  13.368  -3.690   8.193
  401   HH21  ARG  78          HH22      ARG  78  15.569  -3.351   5.485
  402   HH22  ARG  78          HH21      ARG  78  15.351  -3.139   7.195
  403    H    ASP  79           HN       ASP  79  10.022   0.272   4.819
  404    HA   ASP  79           HA       ASP  79   8.579   0.609   7.168
  405    HB2  ASP  79           HB2      ASP  79   9.572   2.483   5.053
  406    HB3  ASP  79           HB3      ASP  79   8.571   3.112   6.357
  407    H    TRP  80           HN       TRP  80   7.713   1.456   3.852
  408    HA   TRP  80           HA       TRP  80   5.109   2.420   4.553
  409    HB2  TRP  80           HB2      TRP  80   5.977   3.507   2.716
  410    HB3  TRP  80           HB3      TRP  80   6.791   2.067   2.118
  411    HD1  TRP  80           HD1      TRP  80   3.436   3.885   1.961
  412    HE1  TRP  80           HE1      TRP  80   2.116   2.889  -0.008
  413    HE3  TRP  80           HE3      TRP  80   6.477  -0.044   0.826
  414    HZ2  TRP  80           HZ2      TRP  80   2.328   0.734  -1.815
  415    HZ3  TRP  80           HZ3      TRP  80   5.852  -1.533  -1.021
  416    HH2  TRP  80           HH2      TRP  80   3.815  -1.158  -2.308
  417    H    VAL  81           HN       VAL  81   6.589  -0.498   3.494
  418    HA   VAL  81           HA       VAL  81   4.383  -1.905   2.479
  419    HB   VAL  81           HB       VAL  81   7.116  -2.565   3.456
  420   HG11  VAL  81          HG11      VAL  81   5.048  -4.716   3.050
  421   HG12  VAL  81          HG12      VAL  81   6.786  -4.966   3.234
  422   HG13  VAL  81          HG13      VAL  81   5.845  -4.302   4.569
  423   HG21  VAL  81          HG21      VAL  81   6.777  -1.993   1.137
  424   HG22  VAL  81          HG22      VAL  81   7.253  -3.686   1.269
  425   HG23  VAL  81          HG23      VAL  81   5.566  -3.265   0.971
  426    H    MET  82           HN       MET  82   5.970  -2.156   5.643
  427    HA   MET  82           HA       MET  82   3.805  -3.654   6.712
  428    HB2  MET  82           HB2      MET  82   4.931  -3.508   8.860
  429    HB3  MET  82           HB3      MET  82   6.031  -3.987   7.578
  430    HG2  MET  82           HG2      MET  82   6.916  -1.719   7.488
  431    HG3  MET  82           HG3      MET  82   5.816  -1.242   8.784
  432    HE1  MET  82           HE1      MET  82   5.839  -2.523  11.200
  433    HE2  MET  82           HE2      MET  82   5.918  -4.092  10.396
  434    HE3  MET  82           HE3      MET  82   7.085  -3.686  11.656
  435    H    TRP  83           HN       TRP  83   4.144  -0.263   6.239
  436    HA   TRP  83           HA       TRP  83   2.641   0.512   8.543
  437    HB2  TRP  83           HB2      TRP  83   3.981   2.194   7.387
  438    HB3  TRP  83           HB3      TRP  83   3.052   1.972   5.909
  439    HD1  TRP  83           HD1      TRP  83   2.752   3.498   9.417
  440    HE1  TRP  83           HE1      TRP  83   0.795   5.171   9.399
  441    HE3  TRP  83           HE3      TRP  83   0.906   2.533   4.755
  442    HZ2  TRP  83           HZ2      TRP  83  -1.268   5.963   7.636
  443    HZ3  TRP  83           HZ3      TRP  83  -1.055   3.790   3.978
  444    HH2  TRP  83           HH2      TRP  83  -2.115   5.467   5.388
  445    H    ALA  84           HN       ALA  84   1.604   0.278   5.097
  446    HA   ALA  84           HA       ALA  84  -1.118   0.699   5.689
  447    HB1  ALA  84           HB1      ALA  84   0.042  -0.916   3.408
  448    HB2  ALA  84           HB2      ALA  84  -1.600  -0.280   3.499
  449    HB3  ALA  84           HB3      ALA  84  -0.230   0.828   3.399
  450    H    VAL  85           HN       VAL  85   0.882  -2.144   5.513
  451    HA   VAL  85           HA       VAL  85  -0.919  -4.150   6.117
  452    HB   VAL  85           HB       VAL  85   2.007  -3.707   6.479
  453   HG11  VAL  85          HG11      VAL  85   0.613  -6.097   7.676
  454   HG12  VAL  85          HG12      VAL  85   2.355  -5.867   7.535
  455   HG13  VAL  85          HG13      VAL  85   1.406  -4.811   8.581
  456   HG21  VAL  85          HG21      VAL  85   1.102  -4.465   4.361
  457   HG22  VAL  85          HG22      VAL  85   2.146  -5.692   5.080
  458   HG23  VAL  85          HG23      VAL  85   0.393  -5.872   5.156
  459    H    ASN  86           HN       ASN  86   1.028  -2.240   8.515
  460    HA   ASN  86           HA       ASN  86  -0.115  -3.685  10.644
  461    HB2  ASN  86           HB2      ASN  86   0.999  -2.223  12.173
  462    HB3  ASN  86           HB3      ASN  86   2.071  -2.659  10.862
  463   HD21  ASN  86          HD21      ASN  86  -0.349  -0.235  10.322
  464   HD22  ASN  86          HD22      ASN  86   0.727   1.124  10.345
  465    H    GLU  87           HN       GLU  87  -1.316  -1.125   8.848
  466    HA   GLU  87           HA       GLU  87  -2.957   0.074  10.921
  467    HB2  GLU  87           HB2      GLU  87  -2.149   1.439   9.035
  468    HB3  GLU  87           HB3      GLU  87  -2.998   0.394   7.908
  469    HG2  GLU  87           HG2      GLU  87  -4.192   2.482   8.286
  470    HG3  GLU  87           HG3      GLU  87  -5.129   1.090   8.826
  471    H    PHE  88           HN       PHE  88  -3.200  -2.110   8.248
  472    HA   PHE  88           HA       PHE  88  -5.972  -2.753   8.711
  473    HB2  PHE  88           HB2      PHE  88  -3.812  -3.475   6.799
  474    HB3  PHE  88           HB3      PHE  88  -5.142  -4.625   7.007
  475    HD1  PHE  88           HD1      PHE  88  -7.460  -3.952   6.486
  476    HD2  PHE  88           HD2      PHE  88  -4.136  -1.432   5.659
  477    HE1  PHE  88           HE1      PHE  88  -8.846  -2.630   4.952
  478    HE2  PHE  88           HE2      PHE  88  -5.521  -0.101   4.119
  479    HZ   PHE  88           HZ       PHE  88  -7.920  -0.702   3.805
  480    H    SER  89           HN       SER  89  -3.300  -3.427  10.392
  481    HA   SER  89           HA       SER  89  -2.468  -5.071  11.696
  482    HB2  SER  89           HB2      SER  89  -5.329  -6.071  11.653
  483    HB3  SER  89           HB3      SER  89  -4.089  -6.530  12.822
  484    HG   SER  89           HG       SER  89  -5.509  -4.133  12.559
  485    H    LEU  90           HN       LEU  90  -1.869  -5.442   9.100
  486    HA   LEU  90           HA       LEU  90  -2.486  -8.222   8.401
  487    HB2  LEU  90           HB2      LEU  90  -0.788  -6.363   6.772
  488    HB3  LEU  90           HB3      LEU  90  -1.728  -7.738   6.232
  489    HG   LEU  90           HG       LEU  90  -2.892  -5.114   7.182
  490   HD11  LEU  90          HD11      LEU  90  -1.590  -4.922   5.113
  491   HD12  LEU  90          HD12      LEU  90  -2.536  -6.225   4.397
  492   HD13  LEU  90          HD13      LEU  90  -3.320  -4.700   4.825
  493   HD21  LEU  90          HD21      LEU  90  -4.961  -6.020   6.176
  494   HD22  LEU  90          HD22      LEU  90  -4.129  -7.537   5.834
  495   HD23  LEU  90          HD23      LEU  90  -4.389  -7.031   7.504
  496    H    LYS  91           HN       LYS  91  -0.528  -7.106  10.520
  497    HA   LYS  91           HA       LYS  91   2.078  -7.663   9.730
  498    HB2  LYS  91           HB2      LYS  91   0.770  -7.879  12.426
  499    HB3  LYS  91           HB3      LYS  91   2.488  -8.157  12.182
  500    HG2  LYS  91           HG2      LYS  91   2.620  -5.861  11.181
  501    HG3  LYS  91           HG3      LYS  91   0.958  -5.613  11.719
  502    HD2  LYS  91           HD2      LYS  91   1.614  -5.990  14.020
  503    HD3  LYS  91           HD3      LYS  91   3.268  -6.347  13.515
  504    HE2  LYS  91           HE2      LYS  91   3.359  -4.029  12.549
  505    HE3  LYS  91           HE3      LYS  91   1.807  -3.721  13.327
  506    HZ1  LYS  91           HZ1      LYS  91   3.568  -2.924  14.719
  507    HZ2  LYS  91           HZ2      LYS  91   4.356  -4.424  14.676
  508    HZ3  LYS  91           HZ3      LYS  91   2.865  -4.276  15.464
  509    H    GLY  92           HN       GLY  92   1.125  -9.608   8.341
  510    HA2  GLY  92           HA1      GLY  92   2.619 -11.818   9.520
  511    HA3  GLY  92           HA2      GLY  92   1.062 -12.138   8.741
  512    H    VAL  93           HN       VAL  93   3.123  -9.561   7.773
  513    HA   VAL  93           HA       VAL  93   3.242 -10.478   5.050
  514    HB   VAL  93           HB       VAL  93   3.482  -7.966   6.425
  515   HG11  VAL  93          HG11      VAL  93   5.720  -8.488   4.479
  516   HG12  VAL  93          HG12      VAL  93   5.305  -6.939   5.210
  517   HG13  VAL  93          HG13      VAL  93   5.911  -8.255   6.218
  518   HG21  VAL  93          HG21      VAL  93   3.481  -8.612   3.490
  519   HG22  VAL  93          HG22      VAL  93   2.038  -8.501   4.509
  520   HG23  VAL  93          HG23      VAL  93   3.039  -7.073   4.237
  521    H    ASP  94           HN       ASP  94   5.000 -11.342   4.024
  522    HA   ASP  94           HA       ASP  94   7.182 -12.144   5.770
  523    HB2  ASP  94           HB2      ASP  94   6.129 -13.703   4.036
  524    HB3  ASP  94           HB3      ASP  94   6.946 -12.729   2.814
  525    H    PHE  95           HN       PHE  95   8.635 -10.618   6.132
  526    HA   PHE  95           HA       PHE  95   8.770  -8.301   4.505
  527    HB2  PHE  95           HB2      PHE  95  10.508  -9.253   6.786
  528    HB3  PHE  95           HB3      PHE  95  10.741  -7.705   5.985
  529    HD1  PHE  95           HD2      PHE  95   8.417  -9.692   8.039
  530    HD2  PHE  95           HD1      PHE  95   9.355  -5.846   6.484
  531    HE1  PHE  95           HE2      PHE  95   6.752  -8.683   9.537
  532    HE2  PHE  95           HE1      PHE  95   7.690  -4.829   7.981
  533    HZ   PHE  95           HZ       PHE  95   6.401  -6.223   9.513
  534    H    GLN  96           HN       GLN  96  10.358 -11.302   4.532
  535    HA   GLN  96           HA       GLN  96  12.703 -10.526   3.092
  536    HB2  GLN  96           HB2      GLN  96  12.480 -12.588   4.523
  537    HB3  GLN  96           HB3      GLN  96  11.462 -13.271   3.258
  538    HG2  GLN  96           HG2      GLN  96  13.736 -14.080   3.085
  539    HG3  GLN  96           HG3      GLN  96  13.294 -13.112   1.678
  540   HE21  GLN  96          HE21      GLN  96  14.178 -11.043   1.445
  541   HE22  GLN  96          HE22      GLN  96  15.603 -10.563   2.292
  542    H    LYS  97           HN       LYS  97   9.473 -11.620   2.286
  543    HA   LYS  97           HA       LYS  97  10.040 -11.953  -0.508
  544    HB2  LYS  97           HB2      LYS  97   8.013 -12.811   1.104
  545    HB3  LYS  97           HB3      LYS  97   7.250 -11.421   0.343
  546    HG2  LYS  97           HG2      LYS  97   8.499 -13.744  -1.111
  547    HG3  LYS  97           HG3      LYS  97   6.773 -13.502  -0.848
  548    HD2  LYS  97           HD2      LYS  97   6.810 -11.491  -2.178
  549    HD3  LYS  97           HD3      LYS  97   8.564 -11.593  -2.344
  550    HE2  LYS  97           HE2      LYS  97   8.242 -13.795  -3.483
  551    HE3  LYS  97           HE3      LYS  97   6.506 -13.490  -3.454
  552    HZ1  LYS  97           HZ1      LYS  97   6.741 -11.679  -4.896
  553    HZ2  LYS  97           HZ2      LYS  97   7.737 -12.879  -5.556
  554    HZ3  LYS  97           HZ3      LYS  97   8.417 -11.593  -4.684
  555    H    PHE  98           HN       PHE  98   9.214  -9.475   1.681
  556    HA   PHE  98           HA       PHE  98   8.418  -7.576  -0.366
  557    HB2  PHE  98           HB2      PHE  98   8.350  -7.674   2.603
  558    HB3  PHE  98           HB3      PHE  98   8.442  -6.088   1.836
  559    HD1  PHE  98           HD1      PHE  98   6.620  -5.302   0.382
  560    HD2  PHE  98           HD2      PHE  98   6.427  -9.012   2.454
  561    HE1  PHE  98           HE1      PHE  98   4.196  -5.386   0.019
  562    HE2  PHE  98           HE2      PHE  98   4.009  -9.116   2.063
  563    HZ   PHE  98           HZ       PHE  98   2.904  -7.209   0.748
  564    H    CYS  99           HN       CYS  99  11.177  -8.730  -0.067
  565    HA   CYS  99           HA       CYS  99  12.855  -6.574   0.784
  566    HB2  CYS  99           HB2      CYS  99  13.198  -9.298   0.172
  567    HB3  CYS  99           HB3      CYS  99  14.151  -8.417  -1.022
  568    HG   CYS  99           HG       CYS  99  15.738  -7.085   0.816
  569    H    MET 100           HN       MET 100  11.832  -4.899  -0.541
  570    HA   MET 100           HA       MET 100  13.018  -4.884  -3.227
  571    HB2  MET 100           HB2      MET 100  10.426  -3.686  -2.283
  572    HB3  MET 100           HB3      MET 100  11.244  -3.072  -3.710
  573    HG2  MET 100           HG2      MET 100   9.721  -4.525  -4.603
  574    HG3  MET 100           HG3      MET 100  11.178  -5.524  -4.498
  575    HE1  MET 100           HE1      MET 100   8.899  -4.408  -1.509
  576    HE2  MET 100           HE2      MET 100   7.730  -4.669  -2.805
  577    HE3  MET 100           HE3      MET 100   7.757  -5.750  -1.413
  578    H    SER 101           HN       SER 101  14.500  -3.392  -3.557
  579    HA   SER 101           HA       SER 101  14.592  -0.966  -2.016
  580    HB2  SER 101           HB2      SER 101  16.046  -0.327  -4.146
  581    HB3  SER 101           HB3      SER 101  16.695  -1.434  -2.935
  582    HG   SER 101           HG       SER 101  16.325  -1.893  -5.512
  583    H    GLY 102           HN       GLY 102  13.956   1.132  -3.089
  584    HA2  GLY 102           HA1      GLY 102  11.309   1.001  -3.796
  585    HA3  GLY 102           HA2      GLY 102  12.341   2.379  -4.102
  586    H    ALA 103           HN       ALA 103  14.085   1.231  -6.052
  587    HA   ALA 103           HA       ALA 103  12.552   1.491  -8.396
  588    HB1  ALA 103           HB1      ALA 103  14.974   1.865  -8.342
  589    HB2  ALA 103           HB2      ALA 103  15.233   0.145  -8.055
  590    HB3  ALA 103           HB3      ALA 103  14.531   0.688  -9.580
  591    H    ALA 104           HN       ALA 104  13.611  -1.293  -6.554
  592    HA   ALA 104           HA       ALA 104  12.547  -3.269  -8.293
  593    HB1  ALA 104           HB1      ALA 104  14.281  -3.795  -6.645
  594    HB2  ALA 104           HB2      ALA 104  13.150  -3.433  -5.340
  595    HB3  ALA 104           HB3      ALA 104  12.852  -4.803  -6.412
  596    H    LEU 105           HN       LEU 105  11.335  -1.715  -5.272
  597    HA   LEU 105           HA       LEU 105   8.918  -2.804  -4.981
  598    HB2  LEU 105           HB2      LEU 105   9.786  -1.004  -3.561
  599    HB3  LEU 105           HB3      LEU 105   9.541   0.158  -4.863
  600    HG   LEU 105           HG       LEU 105   7.119  -0.431  -4.819
  601   HD11  LEU 105          HD11      LEU 105   6.309  -1.478  -2.689
  602   HD12  LEU 105          HD12      LEU 105   7.130  -2.569  -3.811
  603   HD13  LEU 105          HD13      LEU 105   7.981  -1.963  -2.388
  604   HD21  LEU 105          HD21      LEU 105   8.221   0.655  -2.249
  605   HD22  LEU 105          HD22      LEU 105   7.971   1.572  -3.736
  606   HD23  LEU 105          HD23      LEU 105   6.589   0.892  -2.878
  607    H    CYS 106           HN       CYS 106   9.636  -0.156  -7.098
  608    HA   CYS 106           HA       CYS 106   7.151  -0.019  -8.346
  609    HB2  CYS 106           HB2      CYS 106   8.782   1.781  -8.357
  610    HB3  CYS 106           HB3      CYS 106   9.873   0.802  -9.331
  611    HG   CYS 106           HG       CYS 106   7.681   0.703 -11.380
  612    H    ALA 107           HN       ALA 107  10.183  -1.518  -9.507
  613    HA   ALA 107           HA       ALA 107   9.369  -2.310 -11.988
  614    HB1  ALA 107           HB1      ALA 107  11.213  -3.862 -11.963
  615    HB2  ALA 107           HB2      ALA 107  11.672  -2.363 -11.157
  616    HB3  ALA 107           HB3      ALA 107  11.282  -3.795 -10.202
  617    H    LEU 108           HN       LEU 108   8.538  -3.927  -8.960
  618    HA   LEU 108           HA       LEU 108   8.032  -6.456 -10.024
  619    HB2  LEU 108           HB2      LEU 108   6.337  -6.630  -8.063
  620    HB3  LEU 108           HB3      LEU 108   8.049  -6.526  -7.735
  621    HG   LEU 108           HG       LEU 108   7.714  -4.062  -7.292
  622   HD11  LEU 108          HD11      LEU 108   5.610  -3.644  -8.390
  623   HD12  LEU 108          HD12      LEU 108   4.798  -4.844  -7.385
  624   HD13  LEU 108          HD13      LEU 108   5.420  -3.356  -6.662
  625   HD21  LEU 108          HD21      LEU 108   6.308  -6.083  -5.566
  626   HD22  LEU 108          HD22      LEU 108   8.020  -5.660  -5.524
  627   HD23  LEU 108          HD23      LEU 108   6.807  -4.472  -5.050
  628    H    GLY 109           HN       GLY 109   5.945  -3.608  -9.959
  629    HA2  GLY 109           HA1      GLY 109   3.983  -3.205 -11.105
  630    HA3  GLY 109           HA2      GLY 109   4.218  -4.730 -11.952
  631    H    LYS 110           HN       LYS 110   1.708  -3.929 -11.112
  632    HA   LYS 110           HA       LYS 110   0.765  -4.682  -8.669
  633    HB2  LYS 110           HB2      LYS 110  -0.572  -3.833 -10.661
  634    HB3  LYS 110           HB3      LYS 110  -0.685  -5.518 -11.156
  635    HG2  LYS 110           HG2      LYS 110  -1.367  -5.371  -8.408
  636    HG3  LYS 110           HG3      LYS 110  -2.261  -4.117  -9.264
  637    HD2  LYS 110           HD2      LYS 110  -3.612  -6.039  -9.281
  638    HD3  LYS 110           HD3      LYS 110  -2.955  -5.875 -10.906
  639    HE2  LYS 110           HE2      LYS 110  -1.214  -7.571 -10.293
  640    HE3  LYS 110           HE3      LYS 110  -2.042  -7.802  -8.751
  641    HZ1  LYS 110           HZ1      LYS 110  -3.776  -8.875  -9.740
  642    HZ2  LYS 110           HZ2      LYS 110  -2.539  -9.322 -10.813
  643    HZ3  LYS 110           HZ3      LYS 110  -3.604  -8.073 -11.225
  644    H    GLU 111           HN       GLU 111   1.064  -6.903 -11.436
  645    HA   GLU 111           HA       GLU 111   0.043  -9.164 -10.321
  646    HB2  GLU 111           HB2      GLU 111   2.473  -9.174 -12.103
  647    HB3  GLU 111           HB3      GLU 111   1.263 -10.438 -11.948
  648    HG2  GLU 111           HG2      GLU 111   1.026  -7.766 -13.268
  649    HG3  GLU 111           HG3      GLU 111   0.766  -9.368 -13.958
  650    H    CYS 112           HN       CYS 112   3.501  -8.426 -10.398
  651    HA   CYS 112           HA       CYS 112   4.309 -10.572  -8.823
  652    HB2  CYS 112           HB2      CYS 112   5.665  -7.888  -9.120
  653    HB3  CYS 112           HB3      CYS 112   6.422  -9.358  -8.516
  654    HG   CYS 112           HG       CYS 112   6.126  -8.296 -11.596
  655    H    PHE 113           HN       PHE 113   3.702  -7.174  -7.833
  656    HA   PHE 113           HA       PHE 113   4.299  -7.463  -5.160
  657    HB2  PHE 113           HB2      PHE 113   3.667  -5.333  -6.497
  658    HB3  PHE 113           HB3      PHE 113   2.014  -5.709  -6.024
  659    HD1  PHE 113           HD2      PHE 113   1.648  -6.163  -3.506
  660    HD2  PHE 113           HD1      PHE 113   4.999  -4.029  -5.078
  661    HE1  PHE 113           HE2      PHE 113   2.050  -5.180  -1.303
  662    HE2  PHE 113           HE1      PHE 113   5.400  -3.068  -2.858
  663    HZ   PHE 113           HZ       PHE 113   3.937  -3.651  -0.972
  664    H    LEU 114           HN       LEU 114   1.124  -8.060  -6.703
  665    HA   LEU 114           HA       LEU 114  -0.046  -8.497  -4.108
  666    HB2  LEU 114           HB2      LEU 114  -1.391  -9.359  -6.631
  667    HB3  LEU 114           HB3      LEU 114  -2.099  -8.786  -5.132
  668    HG   LEU 114           HG       LEU 114  -0.957  -7.235  -7.401
  669   HD11  LEU 114          HD11      LEU 114  -2.957  -5.888  -7.023
  670   HD12  LEU 114          HD12      LEU 114  -3.357  -7.591  -7.248
  671   HD13  LEU 114          HD13      LEU 114  -3.368  -6.891  -5.629
  672   HD21  LEU 114          HD21      LEU 114  -0.795  -5.228  -6.081
  673   HD22  LEU 114          HD22      LEU 114  -1.209  -6.128  -4.620
  674   HD23  LEU 114          HD23      LEU 114   0.309  -6.459  -5.454
  675    H    GLU 115           HN       GLU 115   1.408 -10.437  -6.561
  676    HA   GLU 115           HA       GLU 115   0.725 -12.931  -5.379
  677    HB2  GLU 115           HB2      GLU 115   2.963 -12.093  -7.218
  678    HB3  GLU 115           HB3      GLU 115   2.726 -13.753  -6.694
  679    HG2  GLU 115           HG2      GLU 115   0.688 -12.130  -8.196
  680    HG3  GLU 115           HG3      GLU 115   1.800 -13.286  -8.934
  681    H    LEU 116           HN       LEU 116   2.811 -10.396  -4.657
  682    HA   LEU 116           HA       LEU 116   4.922 -11.900  -3.399
  683    HB2  LEU 116           HB2      LEU 116   5.858 -10.111  -4.391
  684    HB3  LEU 116           HB3      LEU 116   4.384  -9.167  -4.319
  685    HG   LEU 116           HG       LEU 116   5.867  -9.508  -1.779
  686   HD11  LEU 116          HD11      LEU 116   6.795  -7.705  -4.006
  687   HD12  LEU 116          HD12      LEU 116   7.419  -7.719  -2.357
  688   HD13  LEU 116          HD13      LEU 116   7.665  -9.117  -3.405
  689   HD21  LEU 116          HD21      LEU 116   4.489  -7.221  -3.146
  690   HD22  LEU 116          HD22      LEU 116   3.819  -8.229  -1.865
  691   HD23  LEU 116          HD23      LEU 116   5.191  -7.171  -1.528
  692    H    ALA 117           HN       ALA 117   2.026 -10.295  -2.479
  693    HA   ALA 117           HA       ALA 117   2.529 -11.142   0.310
  694    HB1  ALA 117           HB1      ALA 117   0.970  -8.703  -0.580
  695    HB2  ALA 117           HB2      ALA 117   1.098  -9.280   1.084
  696    HB3  ALA 117           HB3      ALA 117   2.534  -8.700   0.238
  697    HA   PRO 118           HA       PRO 118  -1.700 -13.020   0.120
  698    HB2  PRO 118           HB2      PRO 118  -2.646 -10.751   1.819
  699    HB3  PRO 118           HB3      PRO 118  -2.970 -12.481   1.983
  700    HG2  PRO 118           HG2      PRO 118  -1.231 -11.266   3.592
  701    HG3  PRO 118           HG3      PRO 118  -0.917 -12.903   2.986
  702    HD2  PRO 118           HD2      PRO 118   0.303 -10.312   2.176
  703    HD3  PRO 118           HD3      PRO 118   1.018 -11.935   2.213
  704    H    ASP 119           HN       ASP 119  -3.312 -12.677  -1.349
  705    HA   ASP 119           HA       ASP 119  -2.961 -10.686  -3.243
  706    HB2  ASP 119           HB2      ASP 119  -4.949 -11.487  -4.334
  707    HB3  ASP 119           HB3      ASP 119  -4.051 -12.856  -3.688
  708    H    PHE 120           HN       PHE 120  -4.632 -10.328  -0.252
  709    HA   PHE 120           HA       PHE 120  -6.196  -8.081  -1.237
  710    HB2  PHE 120           HB2      PHE 120  -7.205  -9.601   0.465
  711    HB3  PHE 120           HB3      PHE 120  -5.923  -9.134   1.580
  712    HD1  PHE 120           HD1      PHE 120  -7.429  -6.676  -0.681
  713    HD2  PHE 120           HD2      PHE 120  -7.480  -8.353   3.233
  714    HE1  PHE 120           HE1      PHE 120  -8.782  -4.782   0.109
  715    HE2  PHE 120           HE2      PHE 120  -8.833  -6.460   4.030
  716    HZ   PHE 120           HZ       PHE 120  -9.483  -4.673   2.471
  717    H    VAL 121           HN       VAL 121  -3.513  -8.905   0.778
  718    HA   VAL 121           HA       VAL 121  -3.036  -6.295   1.785
  719    HB   VAL 121           HB       VAL 121  -1.322  -8.773   1.760
  720   HG11  VAL 121          HG11      VAL 121  -0.122  -7.709   3.623
  721   HG12  VAL 121          HG12      VAL 121   0.023  -6.777   2.130
  722   HG13  VAL 121          HG13      VAL 121  -1.084  -6.246   3.397
  723   HG21  VAL 121          HG21      VAL 121  -3.100  -7.644   3.910
  724   HG22  VAL 121          HG22      VAL 121  -3.567  -8.939   2.800
  725   HG23  VAL 121          HG23      VAL 121  -2.233  -9.184   3.939
  726    H    GLY 122           HN       GLY 122  -1.571  -8.335  -0.731
  727    HA2  GLY 122           HA1      GLY 122   0.427  -6.599  -1.577
  728    HA3  GLY 122           HA2      GLY 122  -0.448  -7.724  -2.616
  729    H    ASP 123           HN       ASP 123  -3.029  -6.702  -2.427
  730    HA   ASP 123           HA       ASP 123  -2.859  -4.594  -4.335
  731    HB2  ASP 123           HB2      ASP 123  -4.627  -6.400  -4.284
  732    HB3  ASP 123           HB3      ASP 123  -5.319  -5.590  -2.884
  733    H    ILE 124           HN       ILE 124  -3.898  -4.855  -0.965
  734    HA   ILE 124           HA       ILE 124  -4.524  -2.245  -0.384
  735    HB   ILE 124           HB       ILE 124  -3.332  -4.484   1.188
  736   HG12  ILE 124          HG12      ILE 124  -5.809  -2.777   1.539
  737   HG13  ILE 124          HG13      ILE 124  -5.750  -4.333   0.714
  738   HG21  ILE 124          HG21      ILE 124  -2.166  -2.428   1.998
  739   HG22  ILE 124          HG22      ILE 124  -3.737  -1.720   2.362
  740   HG23  ILE 124          HG23      ILE 124  -3.205  -3.167   3.219
  741   HD11  ILE 124          HD11      ILE 124  -6.617  -4.457   3.022
  742   HD12  ILE 124          HD12      ILE 124  -5.188  -5.459   2.751
  743   HD13  ILE 124          HD13      ILE 124  -5.042  -3.918   3.606
  744    H    LEU 125           HN       LEU 125  -1.306  -3.683   0.062
  745    HA   LEU 125           HA       LEU 125   0.028  -1.267   0.406
  746    HB2  LEU 125           HB2      LEU 125   0.744  -4.065  -0.186
  747    HB3  LEU 125           HB3      LEU 125   1.960  -2.851  -0.568
  748    HG   LEU 125           HG       LEU 125   0.628  -3.108   2.116
  749   HD11  LEU 125          HD11      LEU 125   3.328  -4.099   1.219
  750   HD12  LEU 125          HD12      LEU 125   2.707  -4.129   2.870
  751   HD13  LEU 125          HD13      LEU 125   1.939  -5.108   1.620
  752   HD21  LEU 125          HD21      LEU 125   2.490  -1.674   2.828
  753   HD22  LEU 125          HD22      LEU 125   3.043  -1.580   1.154
  754   HD23  LEU 125          HD23      LEU 125   1.483  -0.891   1.610
  755    H    TRP 126           HN       TRP 126  -0.674  -3.123  -2.510
  756    HA   TRP 126           HA       TRP 126   0.871  -1.580  -4.275
  757    HB2  TRP 126           HB2      TRP 126   0.066  -3.684  -5.074
  758    HB3  TRP 126           HB3      TRP 126  -1.612  -3.231  -4.766
  759    HD1  TRP 126           HD1      TRP 126  -2.892  -2.304  -6.757
  760    HE1  TRP 126           HE1      TRP 126  -2.262  -1.245  -9.039
  761    HE3  TRP 126           HE3      TRP 126   2.182  -2.357  -6.286
  762    HZ2  TRP 126           HZ2      TRP 126   0.111  -0.577 -10.441
  763    HZ3  TRP 126           HZ3      TRP 126   3.566  -1.512  -8.135
  764    HH2  TRP 126           HH2      TRP 126   2.544  -0.644 -10.176
  765    H    GLU 127           HN       GLU 127  -2.487  -1.189  -3.160
  766    HA   GLU 127           HA       GLU 127  -3.156   1.023  -4.693
  767    HB2  GLU 127           HB2      GLU 127  -4.084  -0.083  -2.157
  768    HB3  GLU 127           HB3      GLU 127  -4.222   1.670  -2.235
  769    HG2  GLU 127           HG2      GLU 127  -5.347  -0.260  -4.246
  770    HG3  GLU 127           HG3      GLU 127  -6.258   0.545  -2.967
  771    H    HIS 128           HN       HIS 128  -1.800   1.122  -1.364
  772    HA   HIS 128           HA       HIS 128  -1.304   3.890  -1.525
  773    HB2  HIS 128           HB2      HIS 128  -1.224   2.466   0.603
  774    HB3  HIS 128           HB3      HIS 128   0.422   2.049   0.129
  775    HD1  HIS 128           HD1      HIS 128   0.744   3.375   2.584
  776    HD2  HIS 128           HD2      HIS 128  -0.108   5.658  -0.792
  777    HE1  HIS 128           HE1      HIS 128   1.381   5.736   3.185
  778    HE2  HIS 128           HE2      HIS 128   0.900   7.098   1.122
  779    H    LEU 129           HN       LEU 129   0.656   1.150  -2.598
  780    HA   LEU 129           HA       LEU 129   2.975   2.509  -3.256
  781    HB2  LEU 129           HB2      LEU 129   2.660   0.063  -3.454
  782    HB3  LEU 129           HB3      LEU 129   1.566   0.317  -4.797
  783    HG   LEU 129           HG       LEU 129   3.271   0.795  -6.283
  784   HD11  LEU 129          HD11      LEU 129   5.075   1.425  -3.948
  785   HD12  LEU 129          HD12      LEU 129   5.454   1.627  -5.658
  786   HD13  LEU 129          HD13      LEU 129   4.208   2.625  -4.905
  787   HD21  LEU 129          HD21      LEU 129   4.679  -0.930  -4.248
  788   HD22  LEU 129          HD22      LEU 129   3.486  -1.514  -5.409
  789   HD23  LEU 129          HD23      LEU 129   5.014  -0.842  -5.978
  790    H    GLU 130           HN       GLU 130   0.013   2.017  -5.092
  791    HA   GLU 130           HA       GLU 130   0.826   3.590  -7.242
  792    HB2  GLU 130           HB2      GLU 130  -1.003   1.813  -7.235
  793    HB3  GLU 130           HB3      GLU 130  -2.043   3.014  -6.482
  794    HG2  GLU 130           HG2      GLU 130  -1.725   4.476  -8.439
  795    HG3  GLU 130           HG3      GLU 130  -0.736   3.222  -9.187
  796    H    ILE 131           HN       ILE 131  -1.002   4.254  -4.361
  797    HA   ILE 131           HA       ILE 131  -1.754   6.884  -4.906
  798    HB   ILE 131           HB       ILE 131  -1.362   5.310  -2.413
  799   HG12  ILE 131          HG12      ILE 131  -3.729   5.665  -2.095
  800   HG13  ILE 131          HG13      ILE 131  -3.779   6.883  -3.363
  801   HG21  ILE 131          HG21      ILE 131  -2.223   7.319  -1.146
  802   HG22  ILE 131          HG22      ILE 131  -0.550   7.432  -1.711
  803   HG23  ILE 131          HG23      ILE 131  -1.832   8.278  -2.581
  804   HD11  ILE 131          HD11      ILE 131  -3.315   5.113  -5.021
  805   HD12  ILE 131          HD12      ILE 131  -3.369   3.922  -3.718
  806   HD13  ILE 131          HD13      ILE 131  -4.811   4.854  -4.120
  807    H    LEU 132           HN       LEU 132   1.216   5.690  -3.227
  808    HA   LEU 132           HA       LEU 132   2.313   8.155  -2.552
  809    HB2  LEU 132           HB2      LEU 132   3.977   5.902  -3.638
  810    HB3  LEU 132           HB3      LEU 132   4.487   7.163  -2.536
  811    HG   LEU 132           HG       LEU 132   2.294   5.478  -1.552
  812   HD11  LEU 132          HD11      LEU 132   3.800   3.593  -1.098
  813   HD12  LEU 132          HD12      LEU 132   3.592   3.864  -2.829
  814   HD13  LEU 132          HD13      LEU 132   5.072   4.388  -2.026
  815   HD21  LEU 132          HD21      LEU 132   4.971   6.317  -0.391
  816   HD22  LEU 132          HD22      LEU 132   3.431   7.141  -0.134
  817   HD23  LEU 132          HD23      LEU 132   3.675   5.505   0.488
  818    H    GLN 133           HN       GLN 133   2.349   6.430  -5.568
  819    HA   GLN 133           HA       GLN 133   4.117   8.338  -6.811
  820    HB2  GLN 133           HB2      GLN 133   4.159   6.943  -8.686
  821    HB3  GLN 133           HB3      GLN 133   4.006   5.821  -7.345
  822    HG2  GLN 133           HG2      GLN 133   1.418   6.173  -7.925
  823    HG3  GLN 133           HG3      GLN 133   2.119   6.462  -9.515
  824   HE21  GLN 133          HE21      GLN 133   3.447   4.308  -7.095
  825   HE22  GLN 133          HE22      GLN 133   3.134   2.840  -7.954
  826    H    LYS 134           HN       LYS 134   0.626   7.681  -6.616
  827    HA   LYS 134           HA       LYS 134  -0.265   9.176  -8.712
  828    HB2  LYS 134           HB2      LYS 134  -2.130   8.266  -7.942
  829    HB3  LYS 134           HB3      LYS 134  -1.313   7.808  -6.463
  830    HG2  LYS 134           HG2      LYS 134  -2.552  10.522  -6.811
  831    HG3  LYS 134           HG3      LYS 134  -3.485   9.124  -6.287
  832    HD2  LYS 134           HD2      LYS 134  -1.673   8.844  -4.469
  833    HD3  LYS 134           HD3      LYS 134  -1.212  10.499  -4.886
  834    HE2  LYS 134           HE2      LYS 134  -3.876   9.548  -3.846
  835    HE3  LYS 134           HE3      LYS 134  -2.718  10.598  -3.032
  836    HZ1  LYS 134           HZ1      LYS 134  -4.492  11.918  -3.880
  837    HZ2  LYS 134           HZ2      LYS 134  -4.344  11.248  -5.429
  838    HZ3  LYS 134           HZ3      LYS 134  -3.120  12.249  -4.821
  839    H    GLU 135           HN       GLU 135   1.025  10.429  -5.696
  840    HA   GLU 135           HA       GLU 135  -0.124  13.001  -5.968
  841    HB2  GLU 135           HB2      GLU 135   2.346  12.055  -4.530
  842    HB3  GLU 135           HB3      GLU 135   1.755  13.712  -4.449
  843    HG2  GLU 135           HG2      GLU 135  -0.461  12.693  -3.680
  844    HG3  GLU 135           HG3      GLU 135   0.451  11.209  -3.424
  845    H    ASP 136           HN       ASP 136   2.082  11.443  -7.885
  846    HA   ASP 136           HA       ASP 136   2.811  14.000  -9.154
  847    HB2  ASP 136           HB2      ASP 136   4.787  12.864  -8.112
  848    HB3  ASP 136           HB3      ASP 136   4.478  11.471  -9.143
  849    H    VAL 137           HN       VAL 137   2.599  10.553  -9.615
  850    HA   VAL 137           HA       VAL 137   1.610   9.196 -11.099
  851    HB   VAL 137           HB       VAL 137  -0.167  10.270  -9.650
  852   HG11  VAL 137          HG11      VAL 137  -1.969  11.471 -10.793
  853   HG12  VAL 137          HG12      VAL 137  -0.463  12.389 -10.695
  854   HG13  VAL 137          HG13      VAL 137  -0.933  11.622 -12.214
  855   HG21  VAL 137          HG21      VAL 137  -0.959   8.909 -12.205
  856   HG22  VAL 137          HG22      VAL 137  -0.487   8.148 -10.681
  857   HG23  VAL 137          HG23      VAL 137  -1.980   9.081 -10.775
  858    H    LYS 138           HN       LYS 138   3.395  10.159 -12.635
  859    HA   LYS 138           HA       LYS 138   1.935  10.358 -15.152
  860    HB2  LYS 138           HB2      LYS 138   3.606  11.890 -16.117
  861    HB3  LYS 138           HB3      LYS 138   2.708  12.623 -14.800
  862    HG2  LYS 138           HG2      LYS 138   4.558  12.443 -13.330
  863    HG3  LYS 138           HG3      LYS 138   5.444  11.428 -14.470
  864    HD2  LYS 138           HD2      LYS 138   5.586  13.278 -16.042
  865    HD3  LYS 138           HD3      LYS 138   4.630  14.292 -14.961
  866    HE2  LYS 138           HE2      LYS 138   7.323  13.108 -14.299
  867    HE3  LYS 138           HE3      LYS 138   7.049  14.764 -14.840
  868    HZ1  LYS 138           HZ1      LYS 138   5.695  15.148 -12.883
  869    HZ2  LYS 138           HZ2      LYS 138   7.244  14.628 -12.436
  870    HZ3  LYS 138           HZ3      LYS 138   5.937  13.552 -12.362
  Start of MODEL   10
    1    H1   MET  29           H1       MET  29 -30.556   5.658  -7.148
    2    H2   MET  29           H2       MET  29 -29.826   4.979  -8.523
    3    H3   MET  29           H3       MET  29 -29.041   4.907  -7.020
    4    HA   MET  29           HA       MET  29 -31.595   3.572  -7.699
    5    HB2  MET  29           HB2      MET  29 -29.584   2.562  -8.761
    6    HB3  MET  29           HB3      MET  29 -28.860   2.390  -7.168
    7    HG2  MET  29           HG2      MET  29 -30.725   0.923  -6.509
    8    HG3  MET  29           HG3      MET  29 -31.373   1.052  -8.142
    9    HE1  MET  29           HE1      MET  29 -28.501  -0.319  -5.877
   10    HE2  MET  29           HE2      MET  29 -27.378  -0.989  -7.061
   11    HE3  MET  29           HE3      MET  29 -27.614   0.756  -6.959
   12    H    GLU  30           HN       GLU  30 -32.751   2.875  -6.004
   13    HA   GLU  30           HA       GLU  30 -33.504   2.772  -3.858
   14    HB2  GLU  30           HB2      GLU  30 -30.641   2.016  -3.222
   15    HB3  GLU  30           HB3      GLU  30 -32.053   1.680  -2.231
   16    HG2  GLU  30           HG2      GLU  30 -31.450   0.518  -4.942
   17    HG3  GLU  30           HG3      GLU  30 -31.332  -0.308  -3.388
   18    H    CYS  31           HN       CYS  31 -31.333   3.255  -1.646
   19    HA   CYS  31           HA       CYS  31 -30.905   6.118  -1.932
   20    HB2  CYS  31           HB2      CYS  31 -32.310   4.933   0.476
   21    HB3  CYS  31           HB3      CYS  31 -31.822   6.613   0.291
   22    HG   CYS  31           HG       CYS  31 -33.606   6.089  -2.299
   23    H    ALA  32           HN       ALA  32 -29.511   6.897   0.009
   24    HA   ALA  32           HA       ALA  32 -27.217   5.250   0.188
   25    HB1  ALA  32           HB1      ALA  32 -27.095   7.686   0.348
   26    HB2  ALA  32           HB2      ALA  32 -27.973   7.636   1.877
   27    HB3  ALA  32           HB3      ALA  32 -26.365   6.921   1.759
   28    H    ASP  33           HN       ASP  33 -30.006   5.712   2.218
   29    HA   ASP  33           HA       ASP  33 -28.967   4.207   4.444
   30    HB2  ASP  33           HB2      ASP  33 -31.693   5.300   3.773
   31    HB3  ASP  33           HB3      ASP  33 -31.413   4.299   5.193
   32    H    VAL  34           HN       VAL  34 -30.152   3.362   1.443
   33    HA   VAL  34           HA       VAL  34 -31.339   0.847   2.375
   34    HB   VAL  34           HB       VAL  34 -31.305   2.055  -0.401
   35   HG11  VAL  34          HG11      VAL  34 -32.938   0.317  -0.957
   36   HG12  VAL  34          HG12      VAL  34 -31.391  -0.375  -0.473
   37   HG13  VAL  34          HG13      VAL  34 -32.748  -0.374   0.654
   38   HG21  VAL  34          HG21      VAL  34 -33.688   2.479  -0.019
   39   HG22  VAL  34          HG22      VAL  34 -33.536   1.853   1.623
   40   HG23  VAL  34          HG23      VAL  34 -32.688   3.329   1.160
   41    HA   PRO  35           HA       PRO  35 -27.490  -1.213   1.611
   42    HB2  PRO  35           HB2      PRO  35 -29.243  -3.599   1.390
   43    HB3  PRO  35           HB3      PRO  35 -27.844  -3.321   2.435
   44    HG2  PRO  35           HG2      PRO  35 -30.293  -3.264   3.446
   45    HG3  PRO  35           HG3      PRO  35 -29.074  -2.088   3.974
   46    HD2  PRO  35           HD2      PRO  35 -31.339  -1.731   2.040
   47    HD3  PRO  35           HD3      PRO  35 -30.774  -0.638   3.324
   48    H    LEU  36           HN       LEU  36 -26.461  -1.253  -0.192
   49    HA   LEU  36           HA       LEU  36 -27.448  -2.726  -2.475
   50    HB2  LEU  36           HB2      LEU  36 -26.957  -0.742  -3.999
   51    HB3  LEU  36           HB3      LEU  36 -28.458  -0.721  -3.098
   52    HG   LEU  36           HG       LEU  36 -27.165   0.736  -1.394
   53   HD11  LEU  36          HD11      LEU  36 -24.933   0.385  -2.300
   54   HD12  LEU  36          HD12      LEU  36 -25.430   1.111  -3.828
   55   HD13  LEU  36          HD13      LEU  36 -25.382   2.090  -2.363
   56   HD21  LEU  36          HD21      LEU  36 -27.895   1.778  -4.123
   57   HD22  LEU  36          HD22      LEU  36 -28.997   1.531  -2.766
   58   HD23  LEU  36          HD23      LEU  36 -27.727   2.751  -2.662
   59    H    LEU  37           HN       LEU  37 -25.130  -2.220  -0.421
   60    HA   LEU  37           HA       LEU  37 -23.041  -3.078  -2.269
   61    HB2  LEU  37           HB2      LEU  37 -22.839  -0.719  -0.411
   62    HB3  LEU  37           HB3      LEU  37 -21.419  -1.603  -0.929
   63    HG   LEU  37           HG       LEU  37 -23.340  -0.182  -2.775
   64   HD11  LEU  37          HD11      LEU  37 -20.581   0.583  -1.824
   65   HD12  LEU  37          HD12      LEU  37 -21.513   1.427  -3.062
   66   HD13  LEU  37          HD13      LEU  37 -22.092   1.385  -1.397
   67   HD21  LEU  37          HD21      LEU  37 -20.673  -1.491  -3.305
   68   HD22  LEU  37          HD22      LEU  37 -22.245  -2.109  -3.811
   69   HD23  LEU  37          HD23      LEU  37 -21.638  -0.593  -4.477
   70    H    THR  38           HN       THR  38 -21.330  -4.221  -1.221
   71    HA   THR  38           HA       THR  38 -21.630  -4.681   1.652
   72    HB   THR  38           HB       THR  38 -21.400  -6.902  -0.386
   73    HG1  THR  38           HG1      THR  38 -23.486  -5.795   1.083
   74   HG21  THR  38          HG21      THR  38 -21.478  -8.423   1.542
   75   HG22  THR  38          HG22      THR  38 -21.436  -7.038   2.633
   76   HG23  THR  38          HG23      THR  38 -20.052  -7.387   1.597
   77    HA   PRO  39           HA       PRO  39 -17.235  -3.867   0.973
   78    HB2  PRO  39           HB2      PRO  39 -16.768  -3.475   3.654
   79    HB3  PRO  39           HB3      PRO  39 -17.267  -2.203   2.537
   80    HG2  PRO  39           HG2      PRO  39 -18.875  -3.731   4.515
   81    HG3  PRO  39           HG3      PRO  39 -19.019  -2.040   4.006
   82    HD2  PRO  39           HD2      PRO  39 -20.687  -4.020   3.147
   83    HD3  PRO  39           HD3      PRO  39 -20.321  -2.566   2.199
   84    H    SER  40           HN       SER  40 -16.146  -5.721   0.604
   85    HA   SER  40           HA       SER  40 -15.871  -7.532   2.889
   86    HB2  SER  40           HB2      SER  40 -17.547  -8.402   1.211
   87    HB3  SER  40           HB3      SER  40 -16.222  -8.522   0.056
   88    HG   SER  40           HG       SER  40 -15.799  -9.692   2.546
   89    H    SER  41           HN       SER  41 -14.587  -7.149  -0.462
   90    HA   SER  41           HA       SER  41 -11.981  -7.894   0.590
   91    HB2  SER  41           HB2      SER  41 -11.350  -7.789  -1.890
   92    HB3  SER  41           HB3      SER  41 -12.499  -9.034  -1.399
   93    HG   SER  41           HG       SER  41 -14.151  -7.877  -2.270
   94    H    LYS  42           HN       LYS  42 -12.997  -5.309  -1.696
   95    HA   LYS  42           HA       LYS  42 -10.556  -3.908  -0.959
   96    HB2  LYS  42           HB2      LYS  42 -11.214  -4.248  -3.373
   97    HB3  LYS  42           HB3      LYS  42 -12.472  -3.045  -3.107
   98    HG2  LYS  42           HG2      LYS  42 -10.642  -1.470  -2.332
   99    HG3  LYS  42           HG3      LYS  42  -9.495  -2.673  -2.926
  100    HD2  LYS  42           HD2      LYS  42 -11.661  -1.570  -4.688
  101    HD3  LYS  42           HD3      LYS  42 -10.110  -0.751  -4.497
  102    HE2  LYS  42           HE2      LYS  42 -10.378  -3.630  -5.331
  103    HE3  LYS  42           HE3      LYS  42 -10.286  -2.293  -6.478
  104    HZ1  LYS  42           HZ1      LYS  42  -8.125  -1.706  -5.546
  105    HZ2  LYS  42           HZ2      LYS  42  -8.122  -3.291  -6.135
  106    HZ3  LYS  42           HZ3      LYS  42  -8.206  -3.010  -4.469
  107    H    GLU  43           HN       GLU  43 -13.958  -3.602  -0.342
  108    HA   GLU  43           HA       GLU  43 -14.060  -0.783  -0.267
  109    HB2  GLU  43           HB2      GLU  43 -16.013  -2.437  -0.324
  110    HB3  GLU  43           HB3      GLU  43 -15.805  -2.559   1.418
  111    HG2  GLU  43           HG2      GLU  43 -17.547  -0.970   0.867
  112    HG3  GLU  43           HG3      GLU  43 -16.184  -0.156   1.635
  113    H    MET  44           HN       MET  44 -12.949  -3.150   2.020
  114    HA   MET  44           HA       MET  44 -12.789  -1.562   4.305
  115    HB2  MET  44           HB2      MET  44 -11.163  -3.874   3.296
  116    HB3  MET  44           HB3      MET  44 -10.712  -3.043   4.778
  117    HG2  MET  44           HG2      MET  44 -12.041  -5.014   5.251
  118    HG3  MET  44           HG3      MET  44 -12.886  -3.549   5.743
  119    HE1  MET  44           HE1      MET  44 -15.204  -4.704   5.934
  120    HE2  MET  44           HE2      MET  44 -15.895  -5.759   4.701
  121    HE3  MET  44           HE3      MET  44 -14.439  -6.251   5.570
  122    H    MET  45           HN       MET  45 -10.265  -2.069   1.788
  123    HA   MET  45           HA       MET  45  -8.552  -0.056   2.791
  124    HB2  MET  45           HB2      MET  45  -7.302  -0.224   0.811
  125    HB3  MET  45           HB3      MET  45  -7.951  -1.841   1.052
  126    HG2  MET  45           HG2      MET  45  -9.178  -1.757  -0.823
  127    HG3  MET  45           HG3      MET  45  -9.630  -0.072  -0.559
  128    HE1  MET  45           HE1      MET  45  -6.672  -2.425  -1.873
  129    HE2  MET  45           HE2      MET  45  -5.493  -1.159  -2.231
  130    HE3  MET  45           HE3      MET  45  -6.027  -1.427  -0.569
  131    H    SER  46           HN       SER  46 -11.220  -0.005   0.539
  132    HA   SER  46           HA       SER  46 -10.989   2.473  -0.608
  133    HB2  SER  46           HB2      SER  46 -12.705   0.862  -1.211
  134    HB3  SER  46           HB3      SER  46 -13.471   1.038   0.365
  135    HG   SER  46           HG       SER  46 -14.636   2.453  -0.680
  136    H    GLN  47           HN       GLN  47 -12.711   1.711   2.420
  137    HA   GLN  47           HA       GLN  47 -12.847   4.475   3.123
  138    HB2  GLN  47           HB2      GLN  47 -13.758   3.637   5.297
  139    HB3  GLN  47           HB3      GLN  47 -14.638   3.087   3.880
  140    HG2  GLN  47           HG2      GLN  47 -13.408   0.937   4.021
  141    HG3  GLN  47           HG3      GLN  47 -12.672   1.503   5.519
  142   HE21  GLN  47          HE21      GLN  47 -13.576  -0.170   6.695
  143   HE22  GLN  47          HE22      GLN  47 -15.261  -0.218   7.091
  144    H    ALA  48           HN       ALA  48 -10.926   1.717   4.369
  145    HA   ALA  48           HA       ALA  48  -9.736   3.302   6.414
  146    HB1  ALA  48           HB1      ALA  48  -8.832   0.620   5.384
  147    HB2  ALA  48           HB2      ALA  48  -8.378   1.368   6.914
  148    HB3  ALA  48           HB3      ALA  48 -10.049   0.876   6.636
  149    H    LEU  49           HN       LEU  49  -8.369   2.004   3.321
  150    HA   LEU  49           HA       LEU  49  -5.741   2.859   3.965
  151    HB2  LEU  49           HB2      LEU  49  -7.087   1.486   1.779
  152    HB3  LEU  49           HB3      LEU  49  -5.916   2.658   1.194
  153    HG   LEU  49           HG       LEU  49  -5.409   0.284   2.958
  154   HD11  LEU  49          HD11      LEU  49  -5.576  -0.167   0.594
  155   HD12  LEU  49          HD12      LEU  49  -4.435   1.127   0.243
  156   HD13  LEU  49          HD13      LEU  49  -3.894  -0.308   1.113
  157   HD21  LEU  49          HD21      LEU  49  -3.502   2.504   2.235
  158   HD22  LEU  49          HD22      LEU  49  -4.092   2.122   3.848
  159   HD23  LEU  49          HD23      LEU  49  -3.047   0.983   2.998
  160    H    LYS  50           HN       LYS  50  -8.138   3.996   1.644
  161    HA   LYS  50           HA       LYS  50  -6.533   5.991   0.568
  162    HB2  LYS  50           HB2      LYS  50  -9.550   6.018   0.633
  163    HB3  LYS  50           HB3      LYS  50  -8.489   6.728  -0.581
  164    HG2  LYS  50           HG2      LYS  50  -8.873   3.792  -0.028
  165    HG3  LYS  50           HG3      LYS  50  -9.455   4.689  -1.433
  166    HD2  LYS  50           HD2      LYS  50  -6.529   4.404  -0.710
  167    HD3  LYS  50           HD3      LYS  50  -7.364   3.349  -1.851
  168    HE2  LYS  50           HE2      LYS  50  -7.370   6.328  -2.184
  169    HE3  LYS  50           HE3      LYS  50  -6.026   5.344  -2.765
  170    HZ1  LYS  50           HZ1      LYS  50  -7.387   4.239  -4.268
  171    HZ2  LYS  50           HZ2      LYS  50  -7.910   5.852  -4.383
  172    HZ3  LYS  50           HZ3      LYS  50  -8.821   4.724  -3.506
  173    H    ALA  51           HN       ALA  51  -8.664   6.003   3.328
  174    HA   ALA  51           HA       ALA  51  -8.403   8.823   3.846
  175    HB1  ALA  51           HB1      ALA  51  -9.363   6.609   5.650
  176    HB2  ALA  51           HB2      ALA  51  -9.525   8.339   5.955
  177    HB3  ALA  51           HB3      ALA  51 -10.373   7.598   4.597
  178    H    THR  52           HN       THR  52  -6.826   5.861   4.979
  179    HA   THR  52           HA       THR  52  -5.621   7.083   7.249
  180    HB   THR  52           HB       THR  52  -6.171   4.622   7.005
  181    HG1  THR  52           HG1      THR  52  -4.746   4.261   8.561
  182   HG21  THR  52          HG21      THR  52  -5.148   4.272   4.790
  183   HG22  THR  52          HG22      THR  52  -4.475   3.177   5.999
  184   HG23  THR  52          HG23      THR  52  -3.558   4.593   5.484
  185    H    PHE  53           HN       PHE  53  -4.803   7.381   4.032
  186    HA   PHE  53           HA       PHE  53  -2.086   6.819   3.973
  187    HB2  PHE  53           HB2      PHE  53  -3.682   8.801   2.363
  188    HB3  PHE  53           HB3      PHE  53  -1.985   8.454   2.048
  189    HD1  PHE  53           HD2      PHE  53  -1.956   5.533   2.544
  190    HD2  PHE  53           HD1      PHE  53  -4.740   7.986   0.472
  191    HE1  PHE  53           HE2      PHE  53  -2.611   3.612   1.158
  192    HE2  PHE  53           HE1      PHE  53  -5.405   6.068  -0.907
  193    HZ   PHE  53           HZ       PHE  53  -4.340   3.878  -0.569
  194    H    SER  54           HN       SER  54  -3.689   9.493   5.408
  195    HA   SER  54           HA       SER  54  -1.662  11.409   5.420
  196    HB2  SER  54           HB2      SER  54  -3.681  10.860   7.607
  197    HB3  SER  54           HB3      SER  54  -2.854  12.387   7.290
  198    HG   SER  54           HG       SER  54  -4.943  12.401   6.402
  199    H    GLY  55           HN       GLY  55  -2.016   8.450   7.241
  200    HA2  GLY  55           HA1      GLY  55  -0.332   8.982   9.396
  201    HA3  GLY  55           HA2      GLY  55  -0.634   7.395   8.714
  202    H    PHE  56           HN       PHE  56   0.668   7.063   6.524
  203    HA   PHE  56           HA       PHE  56   3.393   7.233   7.436
  204    HB2  PHE  56           HB2      PHE  56   2.607   5.163   6.373
  205    HB3  PHE  56           HB3      PHE  56   2.319   6.044   4.874
  206    HD1  PHE  56           HD1      PHE  56   4.931   4.857   7.193
  207    HD2  PHE  56           HD2      PHE  56   4.083   6.544   3.378
  208    HE1  PHE  56           HE1      PHE  56   7.231   4.380   6.476
  209    HE2  PHE  56           HE2      PHE  56   6.388   6.081   2.660
  210    HZ   PHE  56           HZ       PHE  56   8.010   5.137   4.268
  211    H    THR  57           HN       THR  57   1.564   8.461   4.704
  212    HA   THR  57           HA       THR  57   3.682   9.458   3.178
  213    HB   THR  57           HB       THR  57   1.027  10.840   3.318
  214    HG1  THR  57           HG1      THR  57   0.162   8.929   2.996
  215   HG21  THR  57          HG21      THR  57   2.861  10.140   1.022
  216   HG22  THR  57          HG22      THR  57   2.702  11.730   1.769
  217   HG23  THR  57          HG23      THR  57   1.342  11.027   0.892
  218    H    LYS  58           HN       LYS  58   2.206  10.665   6.048
  219    HA   LYS  58           HA       LYS  58   3.161  13.388   5.747
  220    HB2  LYS  58           HB2      LYS  58   1.057  13.084   6.878
  221    HB3  LYS  58           HB3      LYS  58   1.778  11.956   8.016
  222    HG2  LYS  58           HG2      LYS  58   3.098  13.732   8.988
  223    HG3  LYS  58           HG3      LYS  58   2.468  14.876   7.799
  224    HD2  LYS  58           HD2      LYS  58   0.238  14.630   8.671
  225    HD3  LYS  58           HD3      LYS  58   0.766  13.351   9.767
  226    HE2  LYS  58           HE2      LYS  58   0.493  15.529  10.890
  227    HE3  LYS  58           HE3      LYS  58   2.138  14.905  10.992
  228    HZ1  LYS  58           HZ1      LYS  58   2.822  16.395   9.260
  229    HZ2  LYS  58           HZ2      LYS  58   2.031  17.288  10.466
  230    HZ3  LYS  58           HZ3      LYS  58   1.231  16.929   9.015
  231    H    GLU  59           HN       GLU  59   3.943  10.492   7.634
  232    HA   GLU  59           HA       GLU  59   6.098  11.881   8.995
  233    HB2  GLU  59           HB2      GLU  59   5.648  10.409  10.597
  234    HB3  GLU  59           HB3      GLU  59   4.525   9.549   9.548
  235    HG2  GLU  59           HG2      GLU  59   6.140   8.028   8.883
  236    HG3  GLU  59           HG3      GLU  59   7.474   9.072   9.398
  237    H    GLN  60           HN       GLN  60   5.580   9.920   6.267
  238    HA   GLN  60           HA       GLN  60   8.078   8.933   5.620
  239    HB2  GLN  60           HB2      GLN  60   6.000   8.632   4.297
  240    HB3  GLN  60           HB3      GLN  60   6.087  10.313   3.804
  241    HG2  GLN  60           HG2      GLN  60   8.210   9.834   2.666
  242    HG3  GLN  60           HG3      GLN  60   8.022   8.129   3.101
  243   HE21  GLN  60          HE21      GLN  60   7.899   7.504   0.957
  244   HE22  GLN  60          HE22      GLN  60   6.509   7.810  -0.017
  245    H    GLN  61           HN       GLN  61   6.703  12.121   5.068
  246    HA   GLN  61           HA       GLN  61   8.943  13.397   3.949
  247    HB2  GLN  61           HB2      GLN  61   6.825  14.596   5.751
  248    HB3  GLN  61           HB3      GLN  61   7.853  15.476   4.623
  249    HG2  GLN  61           HG2      GLN  61   5.743  13.449   3.902
  250    HG3  GLN  61           HG3      GLN  61   5.625  15.198   3.715
  251   HE21  GLN  61          HE21      GLN  61   7.016  12.270   2.483
  252   HE22  GLN  61          HE22      GLN  61   7.614  12.936   1.007
  253    H    ARG  62           HN       ARG  62   7.951  12.826   7.260
  254    HA   ARG  62           HA       ARG  62   9.848  14.459   8.593
  255    HB2  ARG  62           HB2      ARG  62   7.766  13.712   9.636
  256    HB3  ARG  62           HB3      ARG  62   8.270  12.040   9.499
  257    HG2  ARG  62           HG2      ARG  62   9.819  14.010  11.150
  258    HG3  ARG  62           HG3      ARG  62   8.412  13.152  11.783
  259    HD2  ARG  62           HD2      ARG  62   9.493  11.014  11.295
  260    HD3  ARG  62           HD3      ARG  62  10.893  11.862  10.646
  261    HE   ARG  62           HE       ARG  62  10.077  12.187  13.461
  262   HH11  ARG  62          HH12      ARG  62  12.491  11.418  11.039
  263   HH12  ARG  62          HH11      ARG  62  13.771  11.201  12.193
  264   HH21  ARG  62          HH22      ARG  62  11.770  11.884  14.986
  265   HH22  ARG  62          HH21      ARG  62  13.366  11.499  14.421
  266    H    LEU  63           HN       LEU  63   9.716  11.009   7.867
  267    HA   LEU  63           HA       LEU  63  12.210  10.373   9.068
  268    HB2  LEU  63           HB2      LEU  63  10.543   8.831   7.106
  269    HB3  LEU  63           HB3      LEU  63  11.889   8.177   8.020
  270    HG   LEU  63           HG       LEU  63   9.422   9.321   9.318
  271   HD11  LEU  63          HD11      LEU  63   8.840   7.415   7.879
  272   HD12  LEU  63          HD12      LEU  63  10.032   6.431   8.730
  273   HD13  LEU  63          HD13      LEU  63   8.629   7.063   9.595
  274   HD21  LEU  63          HD21      LEU  63  11.397   9.239  10.737
  275   HD22  LEU  63          HD22      LEU  63  10.204   8.048  11.255
  276   HD23  LEU  63          HD23      LEU  63  11.624   7.535  10.343
  277    H    GLY  64           HN       GLY  64  11.822  12.286   6.620
  278    HA2  GLY  64           HA1      GLY  64  13.140  12.965   4.871
  279    HA3  GLY  64           HA2      GLY  64  14.413  11.961   5.561
  280    H    ILE  65           HN       ILE  65  11.400  10.486   4.861
  281    HA   ILE  65           HA       ILE  65  12.693   8.851   2.888
  282    HB   ILE  65           HB       ILE  65   9.870   8.655   3.949
  283   HG12  ILE  65          HG12      ILE  65  12.373   7.093   4.617
  284   HG13  ILE  65          HG13      ILE  65  11.486   8.168   5.692
  285   HG21  ILE  65          HG21      ILE  65  11.445   6.725   2.231
  286   HG22  ILE  65          HG22      ILE  65   9.839   6.434   2.899
  287   HG23  ILE  65          HG23      ILE  65  10.080   7.707   1.702
  288   HD11  ILE  65          HD11      ILE  65  10.479   5.568   4.551
  289   HD12  ILE  65          HD12      ILE  65  11.018   5.847   6.208
  290   HD13  ILE  65          HD13      ILE  65   9.566   6.650   5.609
  291    HA   PRO  66           HA       PRO  66  11.173  11.412  -0.466
  292    HB2  PRO  66           HB2      PRO  66  11.554   9.012  -2.077
  293    HB3  PRO  66           HB3      PRO  66  12.342  10.580  -2.212
  294    HG2  PRO  66           HG2      PRO  66  13.524   8.255  -1.272
  295    HG3  PRO  66           HG3      PRO  66  14.126   9.899  -0.992
  296    HD2  PRO  66           HD2      PRO  66  12.852   8.031   0.840
  297    HD3  PRO  66           HD3      PRO  66  13.772   9.504   1.193
  298    H    LYS  67           HN       LYS  67   9.145  11.579  -1.408
  299    HA   LYS  67           HA       LYS  67   7.168   9.796  -0.334
  300    HB2  LYS  67           HB2      LYS  67   5.534  11.314  -1.364
  301    HB3  LYS  67           HB3      LYS  67   6.720  12.168  -0.389
  302    HG2  LYS  67           HG2      LYS  67   7.906  12.854  -2.376
  303    HG3  LYS  67           HG3      LYS  67   6.781  11.943  -3.390
  304    HD2  LYS  67           HD2      LYS  67   4.963  13.397  -2.258
  305    HD3  LYS  67           HD3      LYS  67   6.307  14.444  -1.801
  306    HE2  LYS  67           HE2      LYS  67   5.449  13.673  -4.585
  307    HE3  LYS  67           HE3      LYS  67   5.348  15.265  -3.839
  308    HZ1  LYS  67           HZ1      LYS  67   7.859  13.814  -4.483
  309    HZ2  LYS  67           HZ2      LYS  67   7.764  15.354  -3.776
  310    HZ3  LYS  67           HZ3      LYS  67   7.214  15.109  -5.363
  311    H    ASP  68           HN       ASP  68   9.044   9.503  -3.019
  312    HA   ASP  68           HA       ASP  68   6.991   8.195  -4.673
  313    HB2  ASP  68           HB2      ASP  68   8.664   9.839  -5.648
  314    HB3  ASP  68           HB3      ASP  68   9.938   8.706  -5.218
  315    HA   PRO  69           HA       PRO  69   8.880   4.344  -3.302
  316    HB2  PRO  69           HB2      PRO  69   7.605   2.595  -4.852
  317    HB3  PRO  69           HB3      PRO  69   6.755   3.530  -3.618
  318    HG2  PRO  69           HG2      PRO  69   6.737   3.829  -6.564
  319    HG3  PRO  69           HG3      PRO  69   5.476   4.216  -5.383
  320    HD2  PRO  69           HD2      PRO  69   7.338   6.008  -6.592
  321    HD3  PRO  69           HD3      PRO  69   6.150   6.378  -5.323
  322    H    ARG  70           HN       ARG  70   9.350   5.414  -6.577
  323    HA   ARG  70           HA       ARG  70  10.630   3.013  -7.528
  324    HB2  ARG  70           HB2      ARG  70  10.228   5.743  -8.701
  325    HB3  ARG  70           HB3      ARG  70  11.276   4.573  -9.486
  326    HG2  ARG  70           HG2      ARG  70   9.153   4.441 -10.520
  327    HG3  ARG  70           HG3      ARG  70   9.351   2.993  -9.538
  328    HD2  ARG  70           HD2      ARG  70   7.118   3.795  -9.233
  329    HD3  ARG  70           HD3      ARG  70   8.023   4.106  -7.750
  330    HE   ARG  70           HE       ARG  70   8.083   6.411  -8.265
  331   HH11  ARG  70          HH12      ARG  70   6.197   4.546 -10.553
  332   HH12  ARG  70          HH11      ARG  70   5.302   5.914 -11.139
  333   HH21  ARG  70          HH22      ARG  70   6.924   8.208  -9.002
  334   HH22  ARG  70          HH21      ARG  70   5.747   8.024 -10.280
  335    H    GLN  71           HN       GLN  71  11.807   4.862  -5.309
  336    HA   GLN  71           HA       GLN  71  14.566   4.610  -6.159
  337    HB2  GLN  71           HB2      GLN  71  15.049   7.009  -5.424
  338    HB3  GLN  71           HB3      GLN  71  14.273   6.802  -6.980
  339    HG2  GLN  71           HG2      GLN  71  13.497   8.639  -5.293
  340    HG3  GLN  71           HG3      GLN  71  12.333   7.772  -6.293
  341   HE21  GLN  71          HE21      GLN  71  10.916   6.390  -5.358
  342   HE22  GLN  71          HE22      GLN  71  10.697   6.279  -3.639
  343    H    TRP  72           HN       TRP  72  12.550   3.752  -4.010
  344    HA   TRP  72           HA       TRP  72  13.554   4.762  -1.560
  345    HB2  TRP  72           HB2      TRP  72  11.593   2.726  -2.503
  346    HB3  TRP  72           HB3      TRP  72  12.225   2.514  -0.874
  347    HD1  TRP  72           HD1      TRP  72  12.184   6.043  -0.945
  348    HE1  TRP  72           HE1      TRP  72   9.935   7.022  -0.150
  349    HE3  TRP  72           HE3      TRP  72   9.320   1.861  -1.347
  350    HZ2  TRP  72           HZ2      TRP  72   7.278   6.100   0.256
  351    HZ3  TRP  72           HZ3      TRP  72   6.948   1.979  -0.742
  352    HH2  TRP  72           HH2      TRP  72   5.948   4.049   0.039
  353    H    THR  73           HN       THR  73  14.774   3.591   0.036
  354    HA   THR  73           HA       THR  73  16.436   1.446  -0.886
  355    HB   THR  73           HB       THR  73  17.226   1.383   1.465
  356    HG1  THR  73           HG1      THR  73  16.340   2.879   2.953
  357   HG21  THR  73          HG21      THR  73  17.030   4.199   0.387
  358   HG22  THR  73          HG22      THR  73  18.216   2.996  -0.122
  359   HG23  THR  73          HG23      THR  73  18.228   3.598   1.535
  360    H    GLU  74           HN       GLU  74  16.450  -0.662   0.469
  361    HA   GLU  74           HA       GLU  74  13.964  -1.931   0.369
  362    HB2  GLU  74           HB2      GLU  74  14.963  -3.711   1.729
  363    HB3  GLU  74           HB3      GLU  74  16.065  -3.186   0.463
  364    HG2  GLU  74           HG2      GLU  74  17.479  -2.118   1.963
  365    HG3  GLU  74           HG3      GLU  74  16.248  -2.050   3.222
  366    H    THR  75           HN       THR  75  15.443  -0.002   2.845
  367    HA   THR  75           HA       THR  75  13.746  -0.812   4.985
  368    HB   THR  75           HB       THR  75  15.295   1.771   4.845
  369    HG1  THR  75           HG1      THR  75  16.353  -0.750   5.677
  370   HG21  THR  75          HG21      THR  75  14.619  -0.102   7.120
  371   HG22  THR  75          HG22      THR  75  13.855   1.454   6.798
  372   HG23  THR  75          HG23      THR  75  15.556   1.386   7.259
  373    H    HIS  76           HN       HIS  76  13.709   1.767   2.564
  374    HA   HIS  76           HA       HIS  76  11.641   3.269   3.885
  375    HB2  HIS  76           HB2      HIS  76  12.837   3.466   1.110
  376    HB3  HIS  76           HB3      HIS  76  11.530   4.510   1.657
  377    HD1  HIS  76           HD1      HIS  76  14.386   5.539   0.843
  378    HD2  HIS  76           HD2      HIS  76  13.029   4.885   4.720
  379    HE1  HIS  76           HE1      HIS  76  15.832   6.964   2.309
  380    HE2  HIS  76           HE2      HIS  76  15.157   6.372   4.670
  381    H    VAL  77           HN       VAL  77  11.850   0.871   1.332
  382    HA   VAL  77           HA       VAL  77   9.159   0.911   0.539
  383    HB   VAL  77           HB       VAL  77  11.280  -1.234   0.384
  384   HG11  VAL  77          HG11      VAL  77   9.072  -2.289   0.479
  385   HG12  VAL  77          HG12      VAL  77   8.529  -1.267  -0.853
  386   HG13  VAL  77          HG13      VAL  77   9.803  -2.458  -1.118
  387   HG21  VAL  77          HG21      VAL  77  11.666   0.747  -1.003
  388   HG22  VAL  77          HG22      VAL  77  11.300  -0.661  -2.005
  389   HG23  VAL  77          HG23      VAL  77  10.065   0.570  -1.717
  390    H    ARG  78           HN       ARG  78  10.940  -1.272   2.744
  391    HA   ARG  78           HA       ARG  78   8.687  -2.721   3.574
  392    HB2  ARG  78           HB2      ARG  78  11.396  -2.296   4.768
  393    HB3  ARG  78           HB3      ARG  78  10.168  -3.212   5.634
  394    HG2  ARG  78           HG2      ARG  78   9.949  -4.621   3.529
  395    HG3  ARG  78           HG3      ARG  78  11.438  -3.847   2.988
  396    HD2  ARG  78           HD2      ARG  78  11.212  -5.233   5.642
  397    HD3  ARG  78           HD3      ARG  78  11.653  -6.090   4.167
  398    HE   ARG  78           HE       ARG  78  13.578  -4.531   4.030
  399   HH11  ARG  78          HH12      ARG  78  11.983  -4.906   7.124
  400   HH12  ARG  78          HH11      ARG  78  13.452  -4.721   8.041
  401   HH21  ARG  78          HH22      ARG  78  15.521  -4.298   5.244
  402   HH22  ARG  78          HH21      ARG  78  15.435  -4.367   6.983
  403    H    ASP  79           HN       ASP  79  10.033   0.284   4.728
  404    HA   ASP  79           HA       ASP  79   8.655   0.640   7.118
  405    HB2  ASP  79           HB2      ASP  79  10.063   2.277   5.220
  406    HB3  ASP  79           HB3      ASP  79   8.587   3.109   5.712
  407    H    TRP  80           HN       TRP  80   7.731   1.553   3.831
  408    HA   TRP  80           HA       TRP  80   5.128   2.452   4.569
  409    HB2  TRP  80           HB2      TRP  80   5.953   3.555   2.727
  410    HB3  TRP  80           HB3      TRP  80   6.795   2.134   2.124
  411    HD1  TRP  80           HD1      TRP  80   3.460   3.941   1.914
  412    HE1  TRP  80           HE1      TRP  80   2.136   2.901  -0.034
  413    HE3  TRP  80           HE3      TRP  80   6.459  -0.059   0.920
  414    HZ2  TRP  80           HZ2      TRP  80   2.328   0.677  -1.742
  415    HZ3  TRP  80           HZ3      TRP  80   5.818  -1.604  -0.875
  416    HH2  TRP  80           HH2      TRP  80   3.791  -1.246  -2.176
  417    H    VAL  81           HN       VAL  81   6.603  -0.478   3.510
  418    HA   VAL  81           HA       VAL  81   4.399  -1.889   2.495
  419    HB   VAL  81           HB       VAL  81   7.122  -2.555   3.502
  420   HG11  VAL  81          HG11      VAL  81   5.817  -4.287   4.594
  421   HG12  VAL  81          HG12      VAL  81   5.052  -4.695   3.057
  422   HG13  VAL  81          HG13      VAL  81   6.785  -4.950   3.275
  423   HG21  VAL  81          HG21      VAL  81   5.610  -3.272   1.000
  424   HG22  VAL  81          HG22      VAL  81   6.783  -1.965   1.178
  425   HG23  VAL  81          HG23      VAL  81   7.302  -3.647   1.319
  426    H    MET  82           HN       MET  82   5.988  -2.144   5.656
  427    HA   MET  82           HA       MET  82   3.807  -3.614   6.738
  428    HB2  MET  82           HB2      MET  82   4.941  -3.547   8.847
  429    HB3  MET  82           HB3      MET  82   6.090  -3.904   7.567
  430    HG2  MET  82           HG2      MET  82   6.822  -1.558   7.602
  431    HG3  MET  82           HG3      MET  82   5.722  -1.262   8.949
  432    HE1  MET  82           HE1      MET  82   5.876  -2.786  11.234
  433    HE2  MET  82           HE2      MET  82   6.109  -4.267  10.304
  434    HE3  MET  82           HE3      MET  82   7.244  -3.843  11.587
  435    H    TRP  83           HN       TRP  83   4.201  -0.234   6.224
  436    HA   TRP  83           HA       TRP  83   2.689   0.566   8.510
  437    HB2  TRP  83           HB2      TRP  83   4.047   2.240   7.364
  438    HB3  TRP  83           HB3      TRP  83   3.115   2.027   5.881
  439    HD1  TRP  83           HD1      TRP  83   2.827   3.542   9.396
  440    HE1  TRP  83           HE1      TRP  83   0.832   5.162   9.412
  441    HE3  TRP  83           HE3      TRP  83   0.953   2.562   4.748
  442    HZ2  TRP  83           HZ2      TRP  83  -1.251   5.933   7.671
  443    HZ3  TRP  83           HZ3      TRP  83  -1.040   3.784   3.996
  444    HH2  TRP  83           HH2      TRP  83  -2.116   5.434   5.429
  445    H    ALA  84           HN       ALA  84   1.668   0.320   5.054
  446    HA   ALA  84           HA       ALA  84  -1.051   0.777   5.620
  447    HB1  ALA  84           HB1      ALA  84  -0.128   0.836   3.329
  448    HB2  ALA  84           HB2      ALA  84   0.077  -0.915   3.377
  449    HB3  ALA  84           HB3      ALA  84  -1.542  -0.216   3.446
  450    H    VAL  85           HN       VAL  85   0.893  -2.102   5.505
  451    HA   VAL  85           HA       VAL  85  -0.959  -4.065   6.134
  452    HB   VAL  85           HB       VAL  85   1.988  -3.713   6.512
  453   HG11  VAL  85          HG11      VAL  85   0.611  -6.219   7.440
  454   HG12  VAL  85          HG12      VAL  85   2.312  -5.800   7.579
  455   HG13  VAL  85          HG13      VAL  85   1.112  -4.943   8.547
  456   HG21  VAL  85          HG21      VAL  85   1.125  -4.329   4.344
  457   HG22  VAL  85          HG22      VAL  85   2.063  -5.656   5.031
  458   HG23  VAL  85          HG23      VAL  85   0.300  -5.724   5.044
  459    H    ASN  86           HN       ASN  86   1.025  -2.125   8.454
  460    HA   ASN  86           HA       ASN  86  -0.155  -3.488  10.642
  461    HB2  ASN  86           HB2      ASN  86   1.329  -2.463  12.012
  462    HB3  ASN  86           HB3      ASN  86   2.159  -2.277  10.480
  463   HD21  ASN  86          HD21      ASN  86   0.431  -0.130   9.556
  464   HD22  ASN  86          HD22      ASN  86   0.868   1.272  10.496
  465    H    GLU  87           HN       GLU  87  -1.202  -0.749   8.855
  466    HA   GLU  87           HA       GLU  87  -2.784   0.397  10.979
  467    HB2  GLU  87           HB2      GLU  87  -2.848   0.781   7.975
  468    HB3  GLU  87           HB3      GLU  87  -3.855   1.676   9.106
  469    HG2  GLU  87           HG2      GLU  87  -0.851   1.697   9.045
  470    HG3  GLU  87           HG3      GLU  87  -1.902   2.952   8.390
  471    H    PHE  88           HN       PHE  88  -3.130  -1.767   8.294
  472    HA   PHE  88           HA       PHE  88  -5.895  -2.371   8.785
  473    HB2  PHE  88           HB2      PHE  88  -3.744  -3.277   6.934
  474    HB3  PHE  88           HB3      PHE  88  -5.091  -4.383   7.225
  475    HD1  PHE  88           HD1      PHE  88  -7.420  -3.653   6.709
  476    HD2  PHE  88           HD2      PHE  88  -4.003  -1.386   5.576
  477    HE1  PHE  88           HE1      PHE  88  -8.779  -2.426   5.070
  478    HE2  PHE  88           HE2      PHE  88  -5.359  -0.153   3.935
  479    HZ   PHE  88           HZ       PHE  88  -7.792  -0.680   3.715
  480    H    SER  89           HN       SER  89  -3.289  -2.938  10.560
  481    HA   SER  89           HA       SER  89  -2.460  -4.518  11.957
  482    HB2  SER  89           HB2      SER  89  -5.381  -5.301  12.119
  483    HB3  SER  89           HB3      SER  89  -4.137  -5.663  13.318
  484    HG   SER  89           HG       SER  89  -3.936  -3.475  13.751
  485    H    LEU  90           HN       LEU  90  -2.261  -5.281   9.226
  486    HA   LEU  90           HA       LEU  90  -3.250  -7.940   8.844
  487    HB2  LEU  90           HB2      LEU  90  -0.945  -6.605   7.412
  488    HB3  LEU  90           HB3      LEU  90  -1.949  -7.914   6.815
  489    HG   LEU  90           HG       LEU  90  -2.845  -5.055   7.281
  490   HD11  LEU  90          HD11      LEU  90  -1.386  -5.298   5.350
  491   HD12  LEU  90          HD12      LEU  90  -2.382  -6.620   4.739
  492   HD13  LEU  90          HD13      LEU  90  -3.048  -4.990   4.845
  493   HD21  LEU  90          HD21      LEU  90  -4.935  -5.792   6.201
  494   HD22  LEU  90          HD22      LEU  90  -4.329  -7.448   6.147
  495   HD23  LEU  90          HD23      LEU  90  -4.643  -6.676   7.701
  496    H    LYS  91           HN       LYS  91  -0.137  -6.475   9.519
  497    HA   LYS  91           HA       LYS  91   1.805  -7.266  10.394
  498    HB2  LYS  91           HB2      LYS  91  -0.283  -8.132  12.385
  499    HB3  LYS  91           HB3      LYS  91   1.441  -8.044  12.733
  500    HG2  LYS  91           HG2      LYS  91   1.454  -5.671  12.298
  501    HG3  LYS  91           HG3      LYS  91  -0.239  -5.722  11.810
  502    HD2  LYS  91           HD2      LYS  91  -0.912  -6.320  14.048
  503    HD3  LYS  91           HD3      LYS  91   0.774  -6.436  14.560
  504    HE2  LYS  91           HE2      LYS  91   1.077  -4.051  14.123
  505    HE3  LYS  91           HE3      LYS  91  -0.595  -3.932  13.575
  506    HZ1  LYS  91           HZ1      LYS  91  -1.347  -4.515  15.780
  507    HZ2  LYS  91           HZ2      LYS  91  -0.312  -3.170  15.864
  508    HZ3  LYS  91           HZ3      LYS  91   0.254  -4.708  16.314
  509    H    GLY  92           HN       GLY  92   0.889  -9.181   8.440
  510    HA2  GLY  92           HA1      GLY  92   2.384 -11.455   9.492
  511    HA3  GLY  92           HA2      GLY  92   0.801 -11.748   8.772
  512    H    VAL  93           HN       VAL  93   3.320  -9.474   7.923
  513    HA   VAL  93           HA       VAL  93   3.215 -10.386   5.153
  514    HB   VAL  93           HB       VAL  93   3.449  -7.798   6.419
  515   HG11  VAL  93          HG11      VAL  93   5.566  -8.428   4.374
  516   HG12  VAL  93          HG12      VAL  93   5.141  -6.818   4.955
  517   HG13  VAL  93          HG13      VAL  93   5.841  -7.998   6.062
  518   HG21  VAL  93          HG21      VAL  93   3.204  -8.611   3.531
  519   HG22  VAL  93          HG22      VAL  93   1.857  -8.428   4.667
  520   HG23  VAL  93          HG23      VAL  93   2.828  -7.026   4.212
  521    H    ASP  94           HN       ASP  94   4.959 -11.280   4.161
  522    HA   ASP  94           HA       ASP  94   7.137 -12.056   5.907
  523    HB2  ASP  94           HB2      ASP  94   6.142 -13.599   4.152
  524    HB3  ASP  94           HB3      ASP  94   6.893 -12.572   2.934
  525    H    PHE  95           HN       PHE  95   8.387 -10.375   6.381
  526    HA   PHE  95           HA       PHE  95   8.673  -8.105   4.787
  527    HB2  PHE  95           HB2      PHE  95  10.499  -9.100   6.987
  528    HB3  PHE  95           HB3      PHE  95  10.527  -7.476   6.309
  529    HD1  PHE  95           HD1      PHE  95   8.078  -6.348   6.291
  530    HD2  PHE  95           HD2      PHE  95   9.428  -9.348   8.989
  531    HE1  PHE  95           HE1      PHE  95   6.383  -5.635   7.928
  532    HE2  PHE  95           HE2      PHE  95   7.736  -8.642  10.628
  533    HZ   PHE  95           HZ       PHE  95   6.215  -6.783  10.104
  534    H    GLN  96           HN       GLN  96  10.217 -11.137   4.591
  535    HA   GLN  96           HA       GLN  96  12.520 -10.096   3.155
  536    HB2  GLN  96           HB2      GLN  96  11.736 -12.897   3.935
  537    HB3  GLN  96           HB3      GLN  96  13.163 -12.517   2.976
  538    HG2  GLN  96           HG2      GLN  96  12.583 -11.645   5.796
  539    HG3  GLN  96           HG3      GLN  96  13.822 -12.779   5.258
  540   HE21  GLN  96          HE21      GLN  96  12.869  -9.438   5.426
  541   HE22  GLN  96          HE22      GLN  96  14.405  -8.767   5.014
  542    H    LYS  97           HN       LYS  97   9.427 -11.555   2.487
  543    HA   LYS  97           HA       LYS  97   9.992 -11.997  -0.286
  544    HB2  LYS  97           HB2      LYS  97   7.940 -12.744   1.367
  545    HB3  LYS  97           HB3      LYS  97   7.207 -11.390   0.519
  546    HG2  LYS  97           HG2      LYS  97   8.407 -13.838  -0.755
  547    HG3  LYS  97           HG3      LYS  97   6.689 -13.493  -0.570
  548    HD2  LYS  97           HD2      LYS  97   6.888 -11.565  -2.032
  549    HD3  LYS  97           HD3      LYS  97   8.632 -11.815  -2.154
  550    HE2  LYS  97           HE2      LYS  97   6.468 -13.668  -3.138
  551    HE3  LYS  97           HE3      LYS  97   7.541 -12.681  -4.128
  552    HZ1  LYS  97           HZ1      LYS  97   8.351 -14.908  -4.109
  553    HZ2  LYS  97           HZ2      LYS  97   8.304 -14.984  -2.420
  554    HZ3  LYS  97           HZ3      LYS  97   9.422 -13.970  -3.189
  555    H    PHE  98           HN       PHE  98   9.044  -9.450   1.809
  556    HA   PHE  98           HA       PHE  98   8.358  -7.601  -0.300
  557    HB2  PHE  98           HB2      PHE  98   8.305  -7.565   2.675
  558    HB3  PHE  98           HB3      PHE  98   8.367  -6.026   1.816
  559    HD1  PHE  98           HD1      PHE  98   6.515  -5.305   0.416
  560    HD2  PHE  98           HD2      PHE  98   6.418  -8.998   2.516
  561    HE1  PHE  98           HE1      PHE  98   4.089  -5.443   0.065
  562    HE2  PHE  98           HE2      PHE  98   4.001  -9.161   2.147
  563    HZ   PHE  98           HZ       PHE  98   2.848  -7.312   0.802
  564    H    CYS  99           HN       CYS  99  11.078  -8.787  -0.048
  565    HA   CYS  99           HA       CYS  99  12.842  -6.676   0.735
  566    HB2  CYS  99           HB2      CYS  99  13.370  -9.172   0.680
  567    HB3  CYS  99           HB3      CYS  99  13.460  -9.004  -1.073
  568    HG   CYS  99           HG       CYS  99  15.365  -6.780   0.525
  569    H    MET 100           HN       MET 100  11.751  -4.997  -0.584
  570    HA   MET 100           HA       MET 100  12.866  -5.044  -3.299
  571    HB2  MET 100           HB2      MET 100  10.354  -3.730  -2.291
  572    HB3  MET 100           HB3      MET 100  11.134  -3.216  -3.780
  573    HG2  MET 100           HG2      MET 100   9.536  -4.658  -4.546
  574    HG3  MET 100           HG3      MET 100  10.960  -5.706  -4.435
  575    HE1  MET 100           HE1      MET 100   8.776  -4.355  -1.453
  576    HE2  MET 100           HE2      MET 100   7.591  -4.647  -2.726
  577    HE3  MET 100           HE3      MET 100   7.595  -5.654  -1.278
  578    H    SER 101           HN       SER 101  14.419  -3.653  -3.672
  579    HA   SER 101           HA       SER 101  14.740  -1.219  -2.196
  580    HB2  SER 101           HB2      SER 101  15.649  -1.700  -5.046
  581    HB3  SER 101           HB3      SER 101  16.403  -0.682  -3.818
  582    HG   SER 101           HG       SER 101  17.541  -2.343  -3.236
  583    H    GLY 102           HN       GLY 102  13.984   0.897  -3.081
  584    HA2  GLY 102           HA1      GLY 102  11.343   0.886  -3.757
  585    HA3  GLY 102           HA2      GLY 102  12.423   2.222  -4.086
  586    H    ALA 103           HN       ALA 103  14.053   1.117  -6.075
  587    HA   ALA 103           HA       ALA 103  12.503   1.406  -8.385
  588    HB1  ALA 103           HB1      ALA 103  14.924   1.743  -8.354
  589    HB2  ALA 103           HB2      ALA 103  15.165   0.017  -8.081
  590    HB3  ALA 103           HB3      ALA 103  14.459   0.579  -9.596
  591    H    ALA 104           HN       ALA 104  13.489  -1.415  -6.567
  592    HA   ALA 104           HA       ALA 104  12.404  -3.364  -8.335
  593    HB1  ALA 104           HB1      ALA 104  13.061  -3.575  -5.395
  594    HB2  ALA 104           HB2      ALA 104  12.764  -4.924  -6.497
  595    HB3  ALA 104           HB3      ALA 104  14.177  -3.894  -6.726
  596    H    LEU 105           HN       LEU 105  11.230  -1.831  -5.282
  597    HA   LEU 105           HA       LEU 105   8.835  -2.932  -4.938
  598    HB2  LEU 105           HB2      LEU 105   9.750  -1.090  -3.593
  599    HB3  LEU 105           HB3      LEU 105   9.408   0.038  -4.902
  600    HG   LEU 105           HG       LEU 105   7.005  -0.538  -4.691
  601   HD11  LEU 105          HD11      LEU 105   6.311  -1.614  -2.543
  602   HD12  LEU 105          HD12      LEU 105   7.087  -2.696  -3.706
  603   HD13  LEU 105          HD13      LEU 105   7.996  -2.090  -2.319
  604   HD21  LEU 105          HD21      LEU 105   8.273   0.497  -2.175
  605   HD22  LEU 105          HD22      LEU 105   7.945   1.441  -3.629
  606   HD23  LEU 105          HD23      LEU 105   6.608   0.761  -2.702
  607    H    CYS 106           HN       CYS 106   9.461  -0.299  -7.118
  608    HA   CYS 106           HA       CYS 106   6.981  -0.280  -8.386
  609    HB2  CYS 106           HB2      CYS 106   8.571   1.551  -8.504
  610    HB3  CYS 106           HB3      CYS 106   9.688   0.537  -9.411
  611    HG   CYS 106           HG       CYS 106   8.840   1.310 -11.699
  612    H    ALA 107           HN       ALA 107  10.053  -1.769  -9.439
  613    HA   ALA 107           HA       ALA 107   9.324  -2.659 -11.897
  614    HB1  ALA 107           HB1      ALA 107  11.592  -2.695 -10.975
  615    HB2  ALA 107           HB2      ALA 107  11.157  -4.094  -9.995
  616    HB3  ALA 107           HB3      ALA 107  11.157  -4.216 -11.755
  617    H    LEU 108           HN       LEU 108   8.495  -4.260  -8.832
  618    HA   LEU 108           HA       LEU 108   7.840  -6.737  -9.927
  619    HB2  LEU 108           HB2      LEU 108   6.208  -6.886  -7.932
  620    HB3  LEU 108           HB3      LEU 108   7.927  -6.806  -7.633
  621    HG   LEU 108           HG       LEU 108   7.623  -4.332  -7.175
  622   HD11  LEU 108          HD11      LEU 108   4.708  -5.117  -7.233
  623   HD12  LEU 108          HD12      LEU 108   5.333  -3.650  -6.466
  624   HD13  LEU 108          HD13      LEU 108   5.509  -3.880  -8.205
  625   HD21  LEU 108          HD21      LEU 108   7.963  -5.979  -5.434
  626   HD22  LEU 108          HD22      LEU 108   6.822  -4.741  -4.908
  627   HD23  LEU 108          HD23      LEU 108   6.233  -6.328  -5.404
  628    H    GLY 109           HN       GLY 109   5.914  -3.789  -9.755
  629    HA2  GLY 109           HA1      GLY 109   4.010  -3.219 -10.927
  630    HA3  GLY 109           HA2      GLY 109   4.153  -4.734 -11.809
  631    H    LYS 110           HN       LYS 110   1.687  -3.840 -11.053
  632    HA   LYS 110           HA       LYS 110   0.623  -4.559  -8.657
  633    HB2  LYS 110           HB2      LYS 110  -1.205  -3.893  -9.764
  634    HB3  LYS 110           HB3      LYS 110  -0.404  -4.134 -11.306
  635    HG2  LYS 110           HG2      LYS 110  -2.401  -5.402 -11.366
  636    HG3  LYS 110           HG3      LYS 110  -1.080  -6.547 -11.163
  637    HD2  LYS 110           HD2      LYS 110  -1.652  -6.221  -8.611
  638    HD3  LYS 110           HD3      LYS 110  -3.228  -5.776  -9.273
  639    HE2  LYS 110           HE2      LYS 110  -1.779  -8.324 -10.015
  640    HE3  LYS 110           HE3      LYS 110  -2.923  -8.231  -8.681
  641    HZ1  LYS 110           HZ1      LYS 110  -3.502  -7.707 -11.552
  642    HZ2  LYS 110           HZ2      LYS 110  -4.613  -7.467 -10.288
  643    HZ3  LYS 110           HZ3      LYS 110  -4.036  -9.025 -10.626
  644    H    GLU 111           HN       GLU 111   0.948  -6.828 -11.418
  645    HA   GLU 111           HA       GLU 111  -0.222  -8.994 -10.170
  646    HB2  GLU 111           HB2      GLU 111   0.504  -8.703 -12.614
  647    HB3  GLU 111           HB3      GLU 111   2.069  -9.312 -12.092
  648    HG2  GLU 111           HG2      GLU 111   0.730 -11.093 -13.028
  649    HG3  GLU 111           HG3      GLU 111   1.010 -11.369 -11.308
  650    H    CYS 112           HN       CYS 112   3.273  -8.402 -10.433
  651    HA   CYS 112           HA       CYS 112   4.027 -10.643  -8.945
  652    HB2  CYS 112           HB2      CYS 112   5.563  -9.441 -10.442
  653    HB3  CYS 112           HB3      CYS 112   5.571  -8.078  -9.330
  654    HG   CYS 112           HG       CYS 112   6.666 -11.197  -8.447
  655    H    PHE 113           HN       PHE 113   3.580  -7.243  -7.875
  656    HA   PHE 113           HA       PHE 113   4.247  -7.578  -5.234
  657    HB2  PHE 113           HB2      PHE 113   3.417  -5.456  -6.514
  658    HB3  PHE 113           HB3      PHE 113   1.828  -5.943  -5.939
  659    HD1  PHE 113           HD2      PHE 113   1.616  -6.399  -3.353
  660    HD2  PHE 113           HD1      PHE 113   4.755  -4.159  -5.188
  661    HE1  PHE 113           HE2      PHE 113   2.063  -5.255  -1.232
  662    HE2  PHE 113           HE1      PHE 113   5.190  -3.026  -3.061
  663    HZ   PHE 113           HZ       PHE 113   3.893  -3.792  -0.986
  664    H    LEU 114           HN       LEU 114   1.071  -8.282  -6.720
  665    HA   LEU 114           HA       LEU 114   0.020  -9.048  -4.149
  666    HB2  LEU 114           HB2      LEU 114  -1.344  -9.869  -6.663
  667    HB3  LEU 114           HB3      LEU 114  -2.028  -9.379  -5.127
  668    HG   LEU 114           HG       LEU 114  -1.101  -7.718  -7.409
  669   HD11  LEU 114          HD11      LEU 114  -3.412  -7.481  -5.494
  670   HD12  LEU 114          HD12      LEU 114  -3.169  -6.553  -6.973
  671   HD13  LEU 114          HD13      LEU 114  -3.475  -8.288  -7.060
  672   HD21  LEU 114          HD21      LEU 114  -0.877  -5.747  -6.163
  673   HD22  LEU 114          HD22      LEU 114  -1.400  -6.541  -4.672
  674   HD23  LEU 114          HD23      LEU 114   0.162  -6.946  -5.384
  675    H    GLU 115           HN       GLU 115   1.670 -10.577  -6.723
  676    HA   GLU 115           HA       GLU 115   1.199 -13.248  -5.848
  677    HB2  GLU 115           HB2      GLU 115   3.415 -12.031  -7.505
  678    HB3  GLU 115           HB3      GLU 115   3.243 -13.756  -7.219
  679    HG2  GLU 115           HG2      GLU 115   1.056 -12.133  -8.466
  680    HG3  GLU 115           HG3      GLU 115   2.368 -12.825  -9.420
  681    H    LEU 116           HN       LEU 116   2.909 -10.617  -4.728
  682    HA   LEU 116           HA       LEU 116   5.155 -12.031  -3.547
  683    HB2  LEU 116           HB2      LEU 116   5.990 -10.114  -4.373
  684    HB3  LEU 116           HB3      LEU 116   4.440  -9.292  -4.315
  685    HG   LEU 116           HG       LEU 116   5.745  -9.684  -1.698
  686   HD11  LEU 116          HD11      LEU 116   7.326  -7.873  -2.047
  687   HD12  LEU 116          HD12      LEU 116   7.685  -9.220  -3.126
  688   HD13  LEU 116          HD13      LEU 116   6.868  -7.786  -3.748
  689   HD21  LEU 116          HD21      LEU 116   3.685  -8.415  -1.993
  690   HD22  LEU 116          HD22      LEU 116   4.998  -7.403  -1.389
  691   HD23  LEU 116          HD23      LEU 116   4.529  -7.317  -3.086
  692    H    ALA 117           HN       ALA 117   2.153 -10.587  -2.621
  693    HA   ALA 117           HA       ALA 117   2.627 -11.480   0.150
  694    HB1  ALA 117           HB1      ALA 117   2.719  -9.031   0.067
  695    HB2  ALA 117           HB2      ALA 117   1.134  -8.995  -0.705
  696    HB3  ALA 117           HB3      ALA 117   1.295  -9.579   0.952
  697    HA   PRO 118           HA       PRO 118  -1.683 -13.166  -0.042
  698    HB2  PRO 118           HB2      PRO 118  -2.489 -10.885   1.720
  699    HB3  PRO 118           HB3      PRO 118  -2.896 -12.601   1.852
  700    HG2  PRO 118           HG2      PRO 118  -1.068 -11.495   3.459
  701    HG3  PRO 118           HG3      PRO 118  -0.877 -13.146   2.842
  702    HD2  PRO 118           HD2      PRO 118   0.539 -10.657   2.057
  703    HD3  PRO 118           HD3      PRO 118   1.105 -12.338   2.037
  704    H    ASP 119           HN       ASP 119  -3.120 -12.720  -1.637
  705    HA   ASP 119           HA       ASP 119  -2.414 -10.808  -3.463
  706    HB2  ASP 119           HB2      ASP 119  -4.359 -11.379  -4.753
  707    HB3  ASP 119           HB3      ASP 119  -3.672 -12.825  -4.028
  708    H    PHE 120           HN       PHE 120  -4.586 -10.212  -0.765
  709    HA   PHE 120           HA       PHE 120  -5.521  -7.859  -2.188
  710    HB2  PHE 120           HB2      PHE 120  -7.003  -9.541  -0.552
  711    HB3  PHE 120           HB3      PHE 120  -6.761  -8.057   0.383
  712    HD1  PHE 120           HD2      PHE 120  -7.439  -5.879  -0.547
  713    HD2  PHE 120           HD1      PHE 120  -8.381  -9.546  -2.494
  714    HE1  PHE 120           HE2      PHE 120  -9.184  -4.737  -1.850
  715    HE2  PHE 120           HE1      PHE 120 -10.130  -8.410  -3.794
  716    HZ   PHE 120           HZ       PHE 120 -10.359  -5.961  -3.655
  717    H    VAL 121           HN       VAL 121  -3.524  -8.919   0.320
  718    HA   VAL 121           HA       VAL 121  -3.124  -6.380   1.550
  719    HB   VAL 121           HB       VAL 121  -1.421  -8.870   1.525
  720   HG11  VAL 121          HG11      VAL 121  -0.105  -6.912   2.124
  721   HG12  VAL 121          HG12      VAL 121  -1.313  -6.451   3.325
  722   HG13  VAL 121          HG13      VAL 121  -0.377  -7.932   3.538
  723   HG21  VAL 121          HG21      VAL 121  -2.510  -9.403   3.586
  724   HG22  VAL 121          HG22      VAL 121  -3.368  -7.856   3.571
  725   HG23  VAL 121          HG23      VAL 121  -3.741  -9.073   2.348
  726    H    GLY 122           HN       GLY 122  -1.570  -8.308  -0.959
  727    HA2  GLY 122           HA1      GLY 122   0.481  -6.554  -1.644
  728    HA3  GLY 122           HA2      GLY 122  -0.340  -7.650  -2.753
  729    H    ASP 123           HN       ASP 123  -2.957  -6.576  -2.591
  730    HA   ASP 123           HA       ASP 123  -2.636  -4.403  -4.429
  731    HB2  ASP 123           HB2      ASP 123  -4.373  -6.039  -4.855
  732    HB3  ASP 123           HB3      ASP 123  -5.112  -5.719  -3.288
  733    H    ILE 124           HN       ILE 124  -3.879  -4.799  -1.136
  734    HA   ILE 124           HA       ILE 124  -4.529  -2.193  -0.543
  735    HB   ILE 124           HB       ILE 124  -3.439  -4.459   1.064
  736   HG12  ILE 124          HG12      ILE 124  -5.916  -2.731   1.270
  737   HG13  ILE 124          HG13      ILE 124  -5.824  -4.315   0.507
  738   HG21  ILE 124          HG21      ILE 124  -2.258  -2.519   1.995
  739   HG22  ILE 124          HG22      ILE 124  -3.791  -1.666   2.179
  740   HG23  ILE 124          HG23      ILE 124  -3.472  -3.123   3.122
  741   HD11  ILE 124          HD11      ILE 124  -5.377  -3.730   3.425
  742   HD12  ILE 124          HD12      ILE 124  -6.820  -4.453   2.715
  743   HD13  ILE 124          HD13      ILE 124  -5.283  -5.319   2.667
  744    H    LEU 125           HN       LEU 125  -1.339  -3.654   0.075
  745    HA   LEU 125           HA       LEU 125   0.018  -1.264   0.430
  746    HB2  LEU 125           HB2      LEU 125   0.724  -4.056  -0.203
  747    HB3  LEU 125           HB3      LEU 125   1.944  -2.843  -0.570
  748    HG   LEU 125           HG       LEU 125   0.611  -3.078   2.112
  749   HD11  LEU 125          HD11      LEU 125   1.830  -5.138   1.624
  750   HD12  LEU 125          HD12      LEU 125   3.263  -4.194   1.216
  751   HD13  LEU 125          HD13      LEU 125   2.644  -4.191   2.868
  752   HD21  LEU 125          HD21      LEU 125   2.514  -1.717   2.824
  753   HD22  LEU 125          HD22      LEU 125   3.101  -1.671   1.159
  754   HD23  LEU 125          HD23      LEU 125   1.566  -0.906   1.577
  755    H    TRP 126           HN       TRP 126  -0.678  -3.057  -2.528
  756    HA   TRP 126           HA       TRP 126   0.921  -1.509  -4.240
  757    HB2  TRP 126           HB2      TRP 126   0.108  -3.600  -5.069
  758    HB3  TRP 126           HB3      TRP 126  -1.570  -3.122  -4.807
  759    HD1  TRP 126           HD1      TRP 126  -2.778  -2.058  -6.783
  760    HE1  TRP 126           HE1      TRP 126  -2.065  -1.083  -9.078
  761    HE3  TRP 126           HE3      TRP 126   2.281  -2.426  -6.279
  762    HZ2  TRP 126           HZ2      TRP 126   0.345  -0.564 -10.465
  763    HZ3  TRP 126           HZ3      TRP 126   3.723  -1.681  -8.127
  764    HH2  TRP 126           HH2      TRP 126   2.769  -0.772 -10.184
  765    H    GLU 127           HN       GLU 127  -2.454  -1.065  -3.177
  766    HA   GLU 127           HA       GLU 127  -3.026   1.157  -4.754
  767    HB2  GLU 127           HB2      GLU 127  -4.151  -0.007  -2.356
  768    HB3  GLU 127           HB3      GLU 127  -4.203   1.755  -2.309
  769    HG2  GLU 127           HG2      GLU 127  -5.280   0.010  -4.509
  770    HG3  GLU 127           HG3      GLU 127  -6.233   0.829  -3.268
  771    H    HIS 128           HN       HIS 128  -1.798   1.189  -1.376
  772    HA   HIS 128           HA       HIS 128  -1.235   3.955  -1.494
  773    HB2  HIS 128           HB2      HIS 128  -1.252   2.519   0.625
  774    HB3  HIS 128           HB3      HIS 128   0.387   2.038   0.183
  775    HD1  HIS 128           HD1      HIS 128   0.689   3.338   2.662
  776    HD2  HIS 128           HD2      HIS 128   0.056   5.667  -0.734
  777    HE1  HIS 128           HE1      HIS 128   1.422   5.662   3.290
  778    HE2  HIS 128           HE2      HIS 128   1.039   7.060   1.226
  779    H    LEU 129           HN       LEU 129   0.722   1.154  -2.469
  780    HA   LEU 129           HA       LEU 129   3.078   2.433  -3.101
  781    HB2  LEU 129           HB2      LEU 129   2.704   0.012  -3.351
  782    HB3  LEU 129           HB3      LEU 129   1.616   0.311  -4.688
  783    HG   LEU 129           HG       LEU 129   3.334   0.742  -6.175
  784   HD11  LEU 129          HD11      LEU 129   5.547   1.499  -5.544
  785   HD12  LEU 129          HD12      LEU 129   4.328   2.550  -4.817
  786   HD13  LEU 129          HD13      LEU 129   5.143   1.332  -3.835
  787   HD21  LEU 129          HD21      LEU 129   3.483  -1.570  -5.266
  788   HD22  LEU 129          HD22      LEU 129   5.016  -0.948  -5.878
  789   HD23  LEU 129          HD23      LEU 129   4.718  -0.998  -4.141
  790    H    GLU 130           HN       GLU 130   0.162   2.081  -5.028
  791    HA   GLU 130           HA       GLU 130   1.090   3.671  -7.126
  792    HB2  GLU 130           HB2      GLU 130  -0.947   1.971  -6.916
  793    HB3  GLU 130           HB3      GLU 130  -1.835   3.449  -6.567
  794    HG2  GLU 130           HG2      GLU 130  -1.064   4.397  -8.697
  795    HG3  GLU 130           HG3      GLU 130  -0.228   2.886  -9.051
  796    H    ILE 131           HN       ILE 131  -0.963   4.329  -4.353
  797    HA   ILE 131           HA       ILE 131  -1.666   6.959  -4.782
  798    HB   ILE 131           HB       ILE 131  -1.250   5.301  -2.353
  799   HG12  ILE 131          HG12      ILE 131  -3.577   5.661  -1.990
  800   HG13  ILE 131          HG13      ILE 131  -3.611   7.041  -3.080
  801   HG21  ILE 131          HG21      ILE 131  -2.028   7.285  -0.966
  802   HG22  ILE 131          HG22      ILE 131  -0.341   7.312  -1.502
  803   HG23  ILE 131          HG23      ILE 131  -1.546   8.295  -2.336
  804   HD11  ILE 131          HD11      ILE 131  -3.316   4.145  -3.842
  805   HD12  ILE 131          HD12      ILE 131  -4.730   5.176  -4.080
  806   HD13  ILE 131          HD13      ILE 131  -3.241   5.511  -4.970
  807    H    LEU 132           HN       LEU 132   1.353   5.706  -3.378
  808    HA   LEU 132           HA       LEU 132   2.597   8.062  -2.654
  809    HB2  LEU 132           HB2      LEU 132   4.052   5.861  -4.085
  810    HB3  LEU 132           HB3      LEU 132   4.692   6.964  -2.883
  811    HG   LEU 132           HG       LEU 132   2.502   5.070  -2.157
  812   HD11  LEU 132          HD11      LEU 132   5.454   4.426  -2.278
  813   HD12  LEU 132          HD12      LEU 132   4.213   3.414  -1.540
  814   HD13  LEU 132          HD13      LEU 132   4.186   3.718  -3.278
  815   HD21  LEU 132          HD21      LEU 132   3.639   5.162   0.052
  816   HD22  LEU 132          HD22      LEU 132   4.828   6.278  -0.619
  817   HD23  LEU 132          HD23      LEU 132   3.132   6.759  -0.506
  818    H    GLN 133           HN       GLN 133   2.127   6.616  -5.733
  819    HA   GLN 133           HA       GLN 133   3.815   8.461  -7.165
  820    HB2  GLN 133           HB2      GLN 133   1.785   6.570  -8.342
  821    HB3  GLN 133           HB3      GLN 133   3.218   7.243  -9.118
  822    HG2  GLN 133           HG2      GLN 133   4.654   5.847  -7.994
  823    HG3  GLN 133           HG3      GLN 133   3.512   5.554  -6.684
  824   HE21  GLN 133          HE21      GLN 133   3.403   3.454  -6.697
  825   HE22  GLN 133          HE22      GLN 133   2.835   2.489  -8.022
  826    H    LYS 134           HN       LYS 134   0.284   7.863  -6.747
  827    HA   LYS 134           HA       LYS 134  -0.884   9.665  -8.337
  828    HB2  LYS 134           HB2      LYS 134  -1.426   8.818  -5.529
  829    HB3  LYS 134           HB3      LYS 134  -2.349  10.170  -6.176
  830    HG2  LYS 134           HG2      LYS 134  -3.601   8.177  -6.467
  831    HG3  LYS 134           HG3      LYS 134  -3.036   8.703  -8.054
  832    HD2  LYS 134           HD2      LYS 134  -1.597   6.950  -8.271
  833    HD3  LYS 134           HD3      LYS 134  -1.315   6.814  -6.521
  834    HE2  LYS 134           HE2      LYS 134  -2.577   4.911  -7.399
  835    HE3  LYS 134           HE3      LYS 134  -3.494   5.852  -6.225
  836    HZ1  LYS 134           HZ1      LYS 134  -3.809   6.207  -9.157
  837    HZ2  LYS 134           HZ2      LYS 134  -4.838   6.761  -7.921
  838    HZ3  LYS 134           HZ3      LYS 134  -4.734   5.104  -8.264
  839    H    GLU 135           HN       GLU 135   0.555  10.445  -5.214
  840    HA   GLU 135           HA       GLU 135  -0.151  13.129  -5.099
  841    HB2  GLU 135           HB2      GLU 135   0.726  11.692  -3.255
  842    HB3  GLU 135           HB3      GLU 135   2.328  11.848  -3.961
  843    HG2  GLU 135           HG2      GLU 135   1.984  13.360  -2.069
  844    HG3  GLU 135           HG3      GLU 135   2.316  14.226  -3.567
  845    H    ASP 136           HN       ASP 136   2.584  11.620  -6.754
  846    HA   ASP 136           HA       ASP 136   3.627  14.318  -7.375
  847    HB2  ASP 136           HB2      ASP 136   5.083  12.774  -5.981
  848    HB3  ASP 136           HB3      ASP 136   5.212  11.746  -7.403
  849    H    VAL 137           HN       VAL 137   1.881  11.940  -8.717
  850    HA   VAL 137           HA       VAL 137   3.268  11.819 -11.278
  851    HB   VAL 137           HB       VAL 137   2.213   9.795 -10.160
  852   HG11  VAL 137          HG11      VAL 137  -0.344  11.026 -11.170
  853   HG12  VAL 137          HG12      VAL 137  -0.161   9.423 -10.456
  854   HG13  VAL 137          HG13      VAL 137   0.124  10.863  -9.476
  855   HG21  VAL 137          HG21      VAL 137   1.433   8.836 -12.280
  856   HG22  VAL 137          HG22      VAL 137   1.382  10.452 -12.985
  857   HG23  VAL 137          HG23      VAL 137   2.923   9.758 -12.483
  858    H    LYS 138           HN       LYS 138   0.836  13.622  -9.770
  859    HA   LYS 138           HA       LYS 138  -0.612  14.250 -12.197
  860    HB2  LYS 138           HB2      LYS 138  -0.863  15.402  -9.412
  861    HB3  LYS 138           HB3      LYS 138  -1.956  15.721 -10.751
  862    HG2  LYS 138           HG2      LYS 138  -2.591  13.366 -10.801
  863    HG3  LYS 138           HG3      LYS 138  -1.487  13.040  -9.462
  864    HD2  LYS 138           HD2      LYS 138  -2.765  14.574  -8.044
  865    HD3  LYS 138           HD3      LYS 138  -3.869  14.892  -9.383
  866    HE2  LYS 138           HE2      LYS 138  -3.409  12.222  -8.058
  867    HE3  LYS 138           HE3      LYS 138  -4.808  13.267  -7.817
  868    HZ1  LYS 138           HZ1      LYS 138  -5.190  13.051 -10.280
  869    HZ2  LYS 138           HZ2      LYS 138  -5.456  11.649  -9.372
  870    HZ3  LYS 138           HZ3      LYS 138  -4.032  11.808 -10.282
  Start of MODEL   11
    1    H1   MET  29           H1       MET  29  -7.368 -13.472  -4.099
    2    H2   MET  29           H2       MET  29  -8.439 -12.272  -4.629
    3    H3   MET  29           H3       MET  29  -8.494 -13.821  -5.317
    4    HA   MET  29           HA       MET  29  -9.131 -14.746  -3.160
    5    HB2  MET  29           HB2      MET  29  -8.135 -12.927  -1.802
    6    HB3  MET  29           HB3      MET  29  -9.362 -11.822  -2.399
    7    HG2  MET  29           HG2      MET  29 -11.098 -13.136  -1.318
    8    HG3  MET  29           HG3      MET  29  -9.885 -14.283  -0.750
    9    HE1  MET  29           HE1      MET  29 -10.077  -9.880   0.647
   10    HE2  MET  29           HE2      MET  29  -9.540 -10.364  -0.961
   11    HE3  MET  29           HE3      MET  29 -11.226 -10.588  -0.491
   12    H    GLU  30           HN       GLU  30 -10.499 -15.271  -5.007
   13    HA   GLU  30           HA       GLU  30 -13.176 -14.510  -4.675
   14    HB2  GLU  30           HB2      GLU  30 -12.269 -12.376  -5.684
   15    HB3  GLU  30           HB3      GLU  30 -11.931 -13.295  -7.144
   16    HG2  GLU  30           HG2      GLU  30 -14.364 -13.878  -7.224
   17    HG3  GLU  30           HG3      GLU  30 -14.610 -12.721  -5.914
   18    H    CYS  31           HN       CYS  31 -14.309 -16.180  -5.437
   19    HA   CYS  31           HA       CYS  31 -13.374 -17.527  -7.872
   20    HB2  CYS  31           HB2      CYS  31 -14.392 -18.850  -5.347
   21    HB3  CYS  31           HB3      CYS  31 -14.190 -19.686  -6.882
   22    HG   CYS  31           HG       CYS  31 -11.877 -18.774  -4.618
   23    H    ALA  32           HN       ALA  32 -15.305 -19.031  -8.678
   24    HA   ALA  32           HA       ALA  32 -17.376 -17.295  -9.409
   25    HB1  ALA  32           HB1      ALA  32 -16.762 -19.254 -10.730
   26    HB2  ALA  32           HB2      ALA  32 -17.385 -20.311  -9.464
   27    HB3  ALA  32           HB3      ALA  32 -18.484 -19.255 -10.351
   28    H    ASP  33           HN       ASP  33 -17.097 -19.540  -6.739
   29    HA   ASP  33           HA       ASP  33 -19.892 -19.378  -6.048
   30    HB2  ASP  33           HB2      ASP  33 -18.500 -21.417  -5.673
   31    HB3  ASP  33           HB3      ASP  33 -17.601 -20.532  -4.446
   32    H    VAL  34           HN       VAL  34 -17.467 -17.185  -5.737
   33    HA   VAL  34           HA       VAL  34 -18.637 -16.102  -3.254
   34    HB   VAL  34           HB       VAL  34 -15.775 -15.722  -4.154
   35   HG11  VAL  34          HG11      VAL  34 -17.200 -14.917  -1.621
   36   HG12  VAL  34          HG12      VAL  34 -15.468 -14.753  -1.909
   37   HG13  VAL  34          HG13      VAL  34 -16.616 -13.837  -2.887
   38   HG21  VAL  34          HG21      VAL  34 -16.140 -18.029  -3.444
   39   HG22  VAL  34          HG22      VAL  34 -15.149 -17.161  -2.271
   40   HG23  VAL  34          HG23      VAL  34 -16.855 -17.461  -1.937
   41    HA   PRO  35           HA       PRO  35 -19.434 -12.777  -6.273
   42    HB2  PRO  35           HB2      PRO  35 -21.560 -12.129  -4.371
   43    HB3  PRO  35           HB3      PRO  35 -21.678 -12.512  -6.091
   44    HG2  PRO  35           HG2      PRO  35 -22.566 -14.202  -4.205
   45    HG3  PRO  35           HG3      PRO  35 -21.833 -14.777  -5.715
   46    HD2  PRO  35           HD2      PRO  35 -20.592 -14.517  -2.992
   47    HD3  PRO  35           HD3      PRO  35 -20.501 -15.871  -4.144
   48    H    LEU  36           HN       LEU  36 -19.169 -10.549  -6.071
   49    HA   LEU  36           HA       LEU  36 -17.871  -9.661  -3.623
   50    HB2  LEU  36           HB2      LEU  36 -18.374  -8.168  -6.194
   51    HB3  LEU  36           HB3      LEU  36 -17.304  -7.674  -4.895
   52    HG   LEU  36           HG       LEU  36 -16.935 -10.144  -6.587
   53   HD11  LEU  36          HD11      LEU  36 -16.610  -8.107  -7.891
   54   HD12  LEU  36          HD12      LEU  36 -15.510  -7.483  -6.661
   55   HD13  LEU  36          HD13      LEU  36 -15.069  -8.911  -7.594
   56   HD21  LEU  36          HD21      LEU  36 -15.161  -8.846  -4.517
   57   HD22  LEU  36          HD22      LEU  36 -16.009 -10.385  -4.350
   58   HD23  LEU  36          HD23      LEU  36 -14.715 -10.214  -5.538
   59    H    LEU  37           HN       LEU  37 -19.511  -9.500  -2.155
   60    HA   LEU  37           HA       LEU  37 -22.029  -8.310  -2.740
   61    HB2  LEU  37           HB2      LEU  37 -20.773  -8.907  -0.059
   62    HB3  LEU  37           HB3      LEU  37 -22.465  -8.549  -0.345
   63    HG   LEU  37           HG       LEU  37 -21.006 -10.972  -1.401
   64   HD11  LEU  37          HD11      LEU  37 -21.262 -11.034   1.025
   65   HD12  LEU  37          HD12      LEU  37 -22.987 -10.708   0.856
   66   HD13  LEU  37          HD13      LEU  37 -22.311 -12.217   0.243
   67   HD21  LEU  37          HD21      LEU  37 -23.237 -11.761  -2.020
   68   HD22  LEU  37          HD22      LEU  37 -23.932 -10.238  -1.465
   69   HD23  LEU  37          HD23      LEU  37 -22.838 -10.255  -2.848
   70    H    THR  38           HN       THR  38 -22.868  -6.564  -1.181
   71    HA   THR  38           HA       THR  38 -21.682  -4.114  -1.694
   72    HB   THR  38           HB       THR  38 -24.056  -4.537  -0.941
   73    HG1  THR  38           HG1      THR  38 -23.844  -2.607   0.702
   74   HG21  THR  38          HG21      THR  38 -23.580  -5.989   0.958
   75   HG22  THR  38          HG22      THR  38 -24.529  -4.588   1.455
   76   HG23  THR  38          HG23      THR  38 -22.801  -4.649   1.797
   77    HA   PRO  39           HA       PRO  39 -18.050  -2.906  -0.044
   78    HB2  PRO  39           HB2      PRO  39 -19.459  -2.132   2.488
   79    HB3  PRO  39           HB3      PRO  39 -18.157  -1.297   1.626
   80    HG2  PRO  39           HG2      PRO  39 -20.910  -0.823   1.299
   81    HG3  PRO  39           HG3      PRO  39 -19.617  -0.270   0.220
   82    HD2  PRO  39           HD2      PRO  39 -21.637  -2.089  -0.464
   83    HD3  PRO  39           HD3      PRO  39 -20.105  -1.874  -1.344
   84    H    SER  40           HN       SER  40 -17.268  -4.991  -0.037
   85    HA   SER  40           HA       SER  40 -16.995  -6.150   2.649
   86    HB2  SER  40           HB2      SER  40 -17.357  -7.678   0.060
   87    HB3  SER  40           HB3      SER  40 -17.062  -8.399   1.643
   88    HG   SER  40           HG       SER  40 -19.276  -6.704   1.072
   89    H    SER  41           HN       SER  41 -15.561  -6.316  -0.670
   90    HA   SER  41           HA       SER  41 -13.148  -7.355   0.558
   91    HB2  SER  41           HB2      SER  41 -12.421  -7.570  -1.869
   92    HB3  SER  41           HB3      SER  41 -13.831  -8.513  -1.385
   93    HG   SER  41           HG       SER  41 -13.836  -7.098  -3.429
   94    H    LYS  42           HN       LYS  42 -13.603  -4.793  -1.943
   95    HA   LYS  42           HA       LYS  42 -11.018  -3.746  -1.085
   96    HB2  LYS  42           HB2      LYS  42 -11.580  -4.035  -3.545
   97    HB3  LYS  42           HB3      LYS  42 -12.644  -2.643  -3.363
   98    HG2  LYS  42           HG2      LYS  42 -10.644  -1.358  -2.491
   99    HG3  LYS  42           HG3      LYS  42  -9.662  -2.738  -2.981
  100    HD2  LYS  42           HD2      LYS  42 -11.486  -1.335  -4.911
  101    HD3  LYS  42           HD3      LYS  42  -9.831  -0.797  -4.622
  102    HE2  LYS  42           HE2      LYS  42 -10.636  -3.557  -5.538
  103    HE3  LYS  42           HE3      LYS  42 -10.025  -2.278  -6.585
  104    HZ1  LYS  42           HZ1      LYS  42  -8.285  -3.838  -5.971
  105    HZ2  LYS  42           HZ2      LYS  42  -8.537  -3.518  -4.329
  106    HZ3  LYS  42           HZ3      LYS  42  -7.949  -2.300  -5.348
  107    H    GLU  43           HN       GLU  43 -14.356  -3.023  -0.676
  108    HA   GLU  43           HA       GLU  43 -14.234  -0.227  -0.498
  109    HB2  GLU  43           HB2      GLU  43 -16.055  -2.231   0.817
  110    HB3  GLU  43           HB3      GLU  43 -16.245  -0.496   1.034
  111    HG2  GLU  43           HG2      GLU  43 -16.387  -1.987  -1.573
  112    HG3  GLU  43           HG3      GLU  43 -17.738  -1.335  -0.646
  113    H    MET  44           HN       MET  44 -13.375  -2.756   1.749
  114    HA   MET  44           HA       MET  44 -13.229  -1.240   4.081
  115    HB2  MET  44           HB2      MET  44 -11.462  -3.551   3.264
  116    HB3  MET  44           HB3      MET  44 -11.683  -2.956   4.904
  117    HG2  MET  44           HG2      MET  44 -13.669  -4.380   3.154
  118    HG3  MET  44           HG3      MET  44 -13.002  -4.904   4.696
  119    HE1  MET  44           HE1      MET  44 -15.419  -2.383   2.887
  120    HE2  MET  44           HE2      MET  44 -16.168  -3.956   3.160
  121    HE3  MET  44           HE3      MET  44 -16.781  -2.526   3.994
  122    H    MET  45           HN       MET  45 -10.604  -1.988   1.747
  123    HA   MET  45           HA       MET  45  -8.800  -0.127   2.881
  124    HB2  MET  45           HB2      MET  45  -7.417  -0.416   0.992
  125    HB3  MET  45           HB3      MET  45  -8.187  -1.978   1.256
  126    HG2  MET  45           HG2      MET  45  -9.179  -1.931  -0.739
  127    HG3  MET  45           HG3      MET  45  -9.702  -0.259  -0.520
  128    HE1  MET  45           HE1      MET  45  -6.056  -1.522  -0.276
  129    HE2  MET  45           HE2      MET  45  -6.614  -2.538  -1.607
  130    HE3  MET  45           HE3      MET  45  -5.436  -1.255  -1.907
  131    H    SER  46           HN       SER  46 -11.301   0.196   0.429
  132    HA   SER  46           HA       SER  46 -10.628   2.686  -0.568
  133    HB2  SER  46           HB2      SER  46 -12.407   1.342  -1.519
  134    HB3  SER  46           HB3      SER  46 -13.369   1.517  -0.054
  135    HG   SER  46           HG       SER  46 -13.779   2.973  -1.976
  136    H    GLN  47           HN       GLN  47 -12.736   1.951   2.222
  137    HA   GLN  47           HA       GLN  47 -12.758   4.690   3.009
  138    HB2  GLN  47           HB2      GLN  47 -13.869   3.809   5.110
  139    HB3  GLN  47           HB3      GLN  47 -14.697   3.475   3.598
  140    HG2  GLN  47           HG2      GLN  47 -13.799   1.198   3.610
  141    HG3  GLN  47           HG3      GLN  47 -12.990   1.531   5.142
  142   HE21  GLN  47          HE21      GLN  47 -16.006   0.946   3.555
  143   HE22  GLN  47          HE22      GLN  47 -16.948   0.665   4.979
  144    H    ALA  48           HN       ALA  48 -11.080   1.794   4.296
  145    HA   ALA  48           HA       ALA  48  -9.845   3.251   6.401
  146    HB1  ALA  48           HB1      ALA  48 -10.229   0.829   6.520
  147    HB2  ALA  48           HB2      ALA  48  -9.015   0.588   5.262
  148    HB3  ALA  48           HB3      ALA  48  -8.543   1.256   6.824
  149    H    LEU  49           HN       LEU  49  -8.484   2.032   3.284
  150    HA   LEU  49           HA       LEU  49  -5.844   2.887   3.984
  151    HB2  LEU  49           HB2      LEU  49  -7.147   1.443   1.794
  152    HB3  LEU  49           HB3      LEU  49  -5.883   2.535   1.256
  153    HG   LEU  49           HG       LEU  49  -5.640   0.145   3.034
  154   HD11  LEU  49          HD11      LEU  49  -3.953  -0.443   1.342
  155   HD12  LEU  49          HD12      LEU  49  -5.559  -0.198   0.650
  156   HD13  LEU  49          HD13      LEU  49  -4.327   1.051   0.486
  157   HD21  LEU  49          HD21      LEU  49  -4.364   1.817   4.185
  158   HD22  LEU  49          HD22      LEU  49  -3.242   0.768   3.317
  159   HD23  LEU  49          HD23      LEU  49  -3.634   2.366   2.680
  160    H    LYS  50           HN       LYS  50  -8.175   3.867   1.502
  161    HA   LYS  50           HA       LYS  50  -6.526   5.784   0.360
  162    HB2  LYS  50           HB2      LYS  50  -9.546   5.877   0.347
  163    HB3  LYS  50           HB3      LYS  50  -8.441   6.499  -0.875
  164    HG2  LYS  50           HG2      LYS  50  -8.877   3.599  -0.181
  165    HG3  LYS  50           HG3      LYS  50  -9.479   4.435  -1.614
  166    HD2  LYS  50           HD2      LYS  50  -6.541   4.256  -0.956
  167    HD3  LYS  50           HD3      LYS  50  -7.368   3.039  -1.927
  168    HE2  LYS  50           HE2      LYS  50  -7.499   5.951  -2.624
  169    HE3  LYS  50           HE3      LYS  50  -6.127   4.956  -3.111
  170    HZ1  LYS  50           HZ1      LYS  50  -7.559   3.536  -4.342
  171    HZ2  LYS  50           HZ2      LYS  50  -7.909   5.132  -4.806
  172    HZ3  LYS  50           HZ3      LYS  50  -8.954   4.303  -3.754
  173    H    ALA  51           HN       ALA  51  -8.668   5.933   3.080
  174    HA   ALA  51           HA       ALA  51  -8.473   8.781   3.444
  175    HB1  ALA  51           HB1      ALA  51  -9.390   6.686   5.406
  176    HB2  ALA  51           HB2      ALA  51  -9.637   8.428   5.533
  177    HB3  ALA  51           HB3      ALA  51 -10.424   7.518   4.244
  178    H    THR  52           HN       THR  52  -6.788   5.924   4.700
  179    HA   THR  52           HA       THR  52  -5.577   7.387   6.867
  180    HB   THR  52           HB       THR  52  -6.183   4.942   6.996
  181    HG1  THR  52           HG1      THR  52  -4.543   4.592   8.417
  182   HG21  THR  52          HG21      THR  52  -4.629   3.298   6.077
  183   HG22  THR  52          HG22      THR  52  -3.665   4.588   5.353
  184   HG23  THR  52          HG23      THR  52  -5.302   4.284   4.775
  185    H    PHE  53           HN       PHE  53  -4.829   7.128   3.610
  186    HA   PHE  53           HA       PHE  53  -2.176   6.429   3.527
  187    HB2  PHE  53           HB2      PHE  53  -3.780   8.228   1.747
  188    HB3  PHE  53           HB3      PHE  53  -2.084   7.883   1.419
  189    HD1  PHE  53           HD2      PHE  53  -2.084   5.025   2.391
  190    HD2  PHE  53           HD1      PHE  53  -4.751   7.184  -0.109
  191    HE1  PHE  53           HE2      PHE  53  -2.712   2.934   1.262
  192    HE2  PHE  53           HE1      PHE  53  -5.389   5.096  -1.229
  193    HZ   PHE  53           HZ       PHE  53  -4.371   2.967  -0.549
  194    H    SER  54           HN       SER  54  -3.509   9.517   4.412
  195    HA   SER  54           HA       SER  54  -1.206  11.085   4.052
  196    HB2  SER  54           HB2      SER  54  -3.409  11.476   6.091
  197    HB3  SER  54           HB3      SER  54  -2.338  12.717   5.436
  198    HG   SER  54           HG       SER  54  -4.543  12.471   4.478
  199    H    GLY  55           HN       GLY  55  -2.065   8.743   6.434
  200    HA2  GLY  55           HA1      GLY  55  -0.607   9.536   8.654
  201    HA3  GLY  55           HA2      GLY  55  -0.926   7.869   8.203
  202    H    PHE  56           HN       PHE  56   0.579   7.120   6.275
  203    HA   PHE  56           HA       PHE  56   3.213   7.275   7.370
  204    HB2  PHE  56           HB2      PHE  56   2.465   5.204   6.293
  205    HB3  PHE  56           HB3      PHE  56   2.316   6.049   4.754
  206    HD1  PHE  56           HD1      PHE  56   4.681   4.774   7.261
  207    HD2  PHE  56           HD2      PHE  56   4.232   6.538   3.414
  208    HE1  PHE  56           HE1      PHE  56   7.014   4.210   6.737
  209    HE2  PHE  56           HE2      PHE  56   6.571   5.988   2.890
  210    HZ   PHE  56           HZ       PHE  56   8.006   4.974   4.596
  211    H    THR  57           HN       THR  57   1.640   8.574   4.537
  212    HA   THR  57           HA       THR  57   3.938   9.488   3.178
  213    HB   THR  57           HB       THR  57   1.148  10.616   3.087
  214    HG1  THR  57           HG1      THR  57   2.161   8.894   1.120
  215   HG21  THR  57          HG21      THR  57   1.775  11.344   0.804
  216   HG22  THR  57          HG22      THR  57   3.427  10.806   1.113
  217   HG23  THR  57          HG23      THR  57   2.740  12.129   2.054
  218    H    LYS  58           HN       LYS  58   2.257  10.708   5.904
  219    HA   LYS  58           HA       LYS  58   3.260  13.427   5.690
  220    HB2  LYS  58           HB2      LYS  58   1.090  12.951   6.808
  221    HB3  LYS  58           HB3      LYS  58   1.957  12.078   8.064
  222    HG2  LYS  58           HG2      LYS  58   3.122  14.119   8.699
  223    HG3  LYS  58           HG3      LYS  58   2.295  15.000   7.413
  224    HD2  LYS  58           HD2      LYS  58   1.002  13.677   9.798
  225    HD3  LYS  58           HD3      LYS  58   1.221  15.411   9.554
  226    HE2  LYS  58           HE2      LYS  58  -0.177  15.223   7.496
  227    HE3  LYS  58           HE3      LYS  58  -0.494  13.544   7.926
  228    HZ1  LYS  58           HZ1      LYS  58  -1.227  15.944   9.514
  229    HZ2  LYS  58           HZ2      LYS  58  -1.449  14.345  10.034
  230    HZ3  LYS  58           HZ3      LYS  58  -2.291  14.916   8.680
  231    H    GLU  59           HN       GLU  59   3.963  10.495   7.535
  232    HA   GLU  59           HA       GLU  59   6.106  11.805   8.985
  233    HB2  GLU  59           HB2      GLU  59   5.677  10.252  10.519
  234    HB3  GLU  59           HB3      GLU  59   4.447   9.559   9.467
  235    HG2  GLU  59           HG2      GLU  59   5.925   7.965   8.626
  236    HG3  GLU  59           HG3      GLU  59   7.345   8.830   9.235
  237    H    GLN  60           HN       GLN  60   5.619   9.850   6.234
  238    HA   GLN  60           HA       GLN  60   8.109   8.863   5.586
  239    HB2  GLN  60           HB2      GLN  60   6.065   8.543   4.253
  240    HB3  GLN  60           HB3      GLN  60   6.082  10.237   3.805
  241    HG2  GLN  60           HG2      GLN  60   8.156   9.889   2.580
  242    HG3  GLN  60           HG3      GLN  60   8.120   8.175   3.021
  243   HE21  GLN  60          HE21      GLN  60   7.964   7.527   0.883
  244   HE22  GLN  60          HE22      GLN  60   6.523   7.724  -0.041
  245    H    GLN  61           HN       GLN  61   6.777  12.070   5.044
  246    HA   GLN  61           HA       GLN  61   9.034  13.307   3.914
  247    HB2  GLN  61           HB2      GLN  61   7.022  14.614   5.748
  248    HB3  GLN  61           HB3      GLN  61   7.960  15.388   4.471
  249    HG2  GLN  61           HG2      GLN  61   5.725  13.400   4.137
  250    HG3  GLN  61           HG3      GLN  61   5.690  15.118   3.752
  251   HE21  GLN  61          HE21      GLN  61   5.232  12.711   2.114
  252   HE22  GLN  61          HE22      GLN  61   6.309  12.865   0.768
  253    H    ARG  62           HN       ARG  62   8.075  12.729   7.234
  254    HA   ARG  62           HA       ARG  62  10.039  14.354   8.514
  255    HB2  ARG  62           HB2      ARG  62   8.019  13.809   9.693
  256    HB3  ARG  62           HB3      ARG  62   8.283  12.088   9.452
  257    HG2  ARG  62           HG2      ARG  62   8.749  12.655  11.731
  258    HG3  ARG  62           HG3      ARG  62  10.245  12.194  10.921
  259    HD2  ARG  62           HD2      ARG  62  10.775  14.594  10.622
  260    HD3  ARG  62           HD3      ARG  62   9.321  14.999  11.537
  261    HE   ARG  62           HE       ARG  62  11.237  13.241  12.848
  262   HH11  ARG  62          HH12      ARG  62  10.035  16.508  12.459
  263   HH12  ARG  62          HH11      ARG  62  10.686  17.055  13.973
  264   HH21  ARG  62          HH22      ARG  62  12.073  13.956  14.840
  265   HH22  ARG  62          HH21      ARG  62  11.845  15.606  15.320
  266    H    LEU  63           HN       LEU  63   9.743  10.903   7.845
  267    HA   LEU  63           HA       LEU  63  12.217  10.202   9.046
  268    HB2  LEU  63           HB2      LEU  63  10.457   8.684   7.149
  269    HB3  LEU  63           HB3      LEU  63  11.820   7.996   8.014
  270    HG   LEU  63           HG       LEU  63   9.359   9.160   9.312
  271   HD11  LEU  63          HD11      LEU  63   8.683   6.917   9.768
  272   HD12  LEU  63          HD12      LEU  63   8.957   7.071   8.033
  273   HD13  LEU  63          HD13      LEU  63  10.161   6.271   9.046
  274   HD21  LEU  63          HD21      LEU  63  11.344   9.354  10.702
  275   HD22  LEU  63          HD22      LEU  63  10.246   8.136  11.349
  276   HD23  LEU  63          HD23      LEU  63  11.692   7.641  10.468
  277    H    GLY  64           HN       GLY  64  11.777  12.041   6.523
  278    HA2  GLY  64           HA1      GLY  64  13.142  12.723   4.805
  279    HA3  GLY  64           HA2      GLY  64  14.397  11.701   5.500
  280    H    ILE  65           HN       ILE  65  11.376  10.278   4.796
  281    HA   ILE  65           HA       ILE  65  12.664   8.538   2.924
  282    HB   ILE  65           HB       ILE  65   9.820   8.509   3.940
  283   HG12  ILE  65          HG12      ILE  65  12.274   6.902   4.671
  284   HG13  ILE  65          HG13      ILE  65  11.373   8.001   5.710
  285   HG21  ILE  65          HG21      ILE  65   9.955   7.487   1.735
  286   HG22  ILE  65          HG22      ILE  65  11.302   6.480   2.263
  287   HG23  ILE  65          HG23      ILE  65   9.701   6.250   2.966
  288   HD11  ILE  65          HD11      ILE  65  10.368   5.391   4.596
  289   HD12  ILE  65          HD12      ILE  65  10.901   5.684   6.252
  290   HD13  ILE  65          HD13      ILE  65   9.456   6.491   5.638
  291    HA   PRO  66           HA       PRO  66  11.492  10.920  -0.726
  292    HB2  PRO  66           HB2      PRO  66  11.602   8.154  -1.824
  293    HB3  PRO  66           HB3      PRO  66  12.344   9.633  -2.440
  294    HG2  PRO  66           HG2      PRO  66  13.773   7.747  -1.175
  295    HG3  PRO  66           HG3      PRO  66  14.150   9.473  -1.018
  296    HD2  PRO  66           HD2      PRO  66  12.918   7.621   0.928
  297    HD3  PRO  66           HD3      PRO  66  13.852   9.102   1.208
  298    H    LYS  67           HN       LYS  67   9.429  11.408  -1.326
  299    HA   LYS  67           HA       LYS  67   7.236   9.954  -0.325
  300    HB2  LYS  67           HB2      LYS  67   5.852  11.470  -1.722
  301    HB3  LYS  67           HB3      LYS  67   7.024  12.307  -0.712
  302    HG2  LYS  67           HG2      LYS  67   8.253  13.018  -2.475
  303    HG3  LYS  67           HG3      LYS  67   7.838  11.618  -3.473
  304    HD2  LYS  67           HD2      LYS  67   5.769  13.667  -2.748
  305    HD3  LYS  67           HD3      LYS  67   6.869  13.933  -4.102
  306    HE2  LYS  67           HE2      LYS  67   4.761  12.959  -4.859
  307    HE3  LYS  67           HE3      LYS  67   6.104  11.858  -5.141
  308    HZ1  LYS  67           HZ1      LYS  67   5.451  10.672  -3.102
  309    HZ2  LYS  67           HZ2      LYS  67   4.244  10.642  -4.280
  310    HZ3  LYS  67           HZ3      LYS  67   4.100  11.684  -2.947
  311    H    ASP  68           HN       ASP  68   8.910   9.740  -3.360
  312    HA   ASP  68           HA       ASP  68   6.841   8.072  -4.580
  313    HB2  ASP  68           HB2      ASP  68   9.588   8.940  -5.501
  314    HB3  ASP  68           HB3      ASP  68   8.623   7.773  -6.392
  315    HA   PRO  69           HA       PRO  69   8.741   4.296  -3.215
  316    HB2  PRO  69           HB2      PRO  69   7.908   2.563  -5.081
  317    HB3  PRO  69           HB3      PRO  69   6.797   3.298  -3.921
  318    HG2  PRO  69           HG2      PRO  69   7.259   3.968  -6.793
  319    HG3  PRO  69           HG3      PRO  69   5.744   3.933  -5.876
  320    HD2  PRO  69           HD2      PRO  69   7.185   6.221  -6.462
  321    HD3  PRO  69           HD3      PRO  69   6.012   6.072  -5.140
  322    H    ARG  70           HN       ARG  70   9.236   5.102  -6.609
  323    HA   ARG  70           HA       ARG  70  10.888   2.941  -7.255
  324    HB2  ARG  70           HB2      ARG  70  11.510   4.477  -9.278
  325    HB3  ARG  70           HB3      ARG  70   9.910   3.776  -9.124
  326    HG2  ARG  70           HG2      ARG  70  10.417   6.506  -8.040
  327    HG3  ARG  70           HG3      ARG  70  10.208   6.279  -9.778
  328    HD2  ARG  70           HD2      ARG  70   8.069   5.061  -9.259
  329    HD3  ARG  70           HD3      ARG  70   8.273   5.570  -7.583
  330    HE   ARG  70           HE       ARG  70   7.942   7.834  -8.260
  331   HH11  ARG  70          HH12      ARG  70   7.464   5.528 -10.864
  332   HH12  ARG  70          HH11      ARG  70   6.372   6.562 -11.731
  333   HH21  ARG  70          HH22      ARG  70   6.528   9.175  -9.400
  334   HH22  ARG  70          HH21      ARG  70   5.844   8.638 -10.907
  335    H    GLN  71           HN       GLN  71  11.884   5.094  -5.146
  336    HA   GLN  71           HA       GLN  71  14.677   4.689  -5.936
  337    HB2  GLN  71           HB2      GLN  71  15.336   6.935  -5.565
  338    HB3  GLN  71           HB3      GLN  71  13.876   7.045  -6.541
  339    HG2  GLN  71           HG2      GLN  71  14.047   7.420  -3.562
  340    HG3  GLN  71           HG3      GLN  71  13.872   8.694  -4.767
  341   HE21  GLN  71          HE21      GLN  71  12.304   5.941  -3.254
  342   HE22  GLN  71          HE22      GLN  71  10.684   6.418  -3.634
  343    H    TRP  72           HN       TRP  72  12.637   3.727  -3.828
  344    HA   TRP  72           HA       TRP  72  13.671   4.592  -1.335
  345    HB2  TRP  72           HB2      TRP  72  11.715   2.551  -2.323
  346    HB3  TRP  72           HB3      TRP  72  12.317   2.399  -0.672
  347    HD1  TRP  72           HD1      TRP  72  12.280   5.911  -0.897
  348    HE1  TRP  72           HE1      TRP  72  10.024   6.933  -0.188
  349    HE3  TRP  72           HE3      TRP  72   9.398   1.728  -1.136
  350    HZ2  TRP  72           HZ2      TRP  72   7.360   6.054   0.223
  351    HZ3  TRP  72           HZ3      TRP  72   7.014   1.890  -0.568
  352    HH2  TRP  72           HH2      TRP  72   6.020   4.004   0.095
  353    H    THR  73           HN       THR  73  14.851   3.373   0.188
  354    HA   THR  73           HA       THR  73  16.532   1.256  -0.769
  355    HB   THR  73           HB       THR  73  17.310   1.201   1.597
  356    HG1  THR  73           HG1      THR  73  16.403   2.806   3.023
  357   HG21  THR  73          HG21      THR  73  18.314   2.799   0.005
  358   HG22  THR  73          HG22      THR  73  18.295   3.431   1.652
  359   HG23  THR  73          HG23      THR  73  17.112   4.003   0.475
  360    H    GLU  74           HN       GLU  74  16.594  -0.810   0.678
  361    HA   GLU  74           HA       GLU  74  14.120  -2.115   0.617
  362    HB2  GLU  74           HB2      GLU  74  15.334  -3.700   2.342
  363    HB3  GLU  74           HB3      GLU  74  15.801  -3.664   0.652
  364    HG2  GLU  74           HG2      GLU  74  17.746  -3.729   2.080
  365    HG3  GLU  74           HG3      GLU  74  17.688  -2.209   1.199
  366    H    THR  75           HN       THR  75  15.622  -0.143   3.052
  367    HA   THR  75           HA       THR  75  13.937  -0.868   5.226
  368    HB   THR  75           HB       THR  75  15.460   1.714   4.795
  369    HG1  THR  75           HG1      THR  75  16.707  -0.347   4.726
  370   HG21  THR  75          HG21      THR  75  15.460   1.839   7.248
  371   HG22  THR  75          HG22      THR  75  14.457   0.391   7.317
  372   HG23  THR  75          HG23      THR  75  13.825   1.869   6.590
  373    H    HIS  76           HN       HIS  76  13.776   1.600   2.692
  374    HA   HIS  76           HA       HIS  76  11.704   3.083   4.024
  375    HB2  HIS  76           HB2      HIS  76  12.908   3.295   1.261
  376    HB3  HIS  76           HB3      HIS  76  11.591   4.330   1.807
  377    HD1  HIS  76           HD1      HIS  76  14.597   5.244   1.062
  378    HD2  HIS  76           HD2      HIS  76  12.945   4.817   4.859
  379    HE1  HIS  76           HE1      HIS  76  15.978   6.698   2.569
  380    HE2  HIS  76           HE2      HIS  76  15.074   6.292   4.891
  381    H    VAL  77           HN       VAL  77  11.902   0.713   1.439
  382    HA   VAL  77           HA       VAL  77   9.219   0.780   0.657
  383    HB   VAL  77           HB       VAL  77  11.296  -1.410   0.494
  384   HG11  VAL  77          HG11      VAL  77   8.560  -1.349  -0.776
  385   HG12  VAL  77          HG12      VAL  77   9.806  -2.567  -1.050
  386   HG13  VAL  77          HG13      VAL  77   9.062  -2.408   0.541
  387   HG21  VAL  77          HG21      VAL  77  10.165   0.471  -1.592
  388   HG22  VAL  77          HG22      VAL  77  11.770   0.563  -0.871
  389   HG23  VAL  77          HG23      VAL  77  11.344  -0.807  -1.900
  390    H    ARG  78           HN       ARG  78  10.950  -1.383   2.931
  391    HA   ARG  78           HA       ARG  78   8.707  -2.845   3.762
  392    HB2  ARG  78           HB2      ARG  78  11.285  -2.221   5.179
  393    HB3  ARG  78           HB3      ARG  78  10.061  -3.282   5.857
  394    HG2  ARG  78           HG2      ARG  78  10.287  -4.736   3.849
  395    HG3  ARG  78           HG3      ARG  78  11.623  -3.708   3.316
  396    HD2  ARG  78           HD2      ARG  78  11.464  -5.332   5.855
  397    HD3  ARG  78           HD3      ARG  78  12.531  -5.617   4.475
  398    HE   ARG  78           HE       ARG  78  12.748  -3.390   6.396
  399   HH11  ARG  78          HH12      ARG  78  14.145  -5.355   3.844
  400   HH12  ARG  78          HH11      ARG  78  15.747  -4.705   4.062
  401   HH21  ARG  78          HH22      ARG  78  14.850  -2.526   6.661
  402   HH22  ARG  78          HH21      ARG  78  16.131  -3.064   5.606
  403    H    ASP  79           HN       ASP  79   9.993   0.212   4.914
  404    HA   ASP  79           HA       ASP  79   8.549   0.544   7.273
  405    HB2  ASP  79           HB2      ASP  79   9.946   2.257   5.352
  406    HB3  ASP  79           HB3      ASP  79   8.597   3.073   6.140
  407    H    TRP  80           HN       TRP  80   7.733   1.451   3.953
  408    HA   TRP  80           HA       TRP  80   5.143   2.453   4.641
  409    HB2  TRP  80           HB2      TRP  80   6.015   3.500   2.786
  410    HB3  TRP  80           HB3      TRP  80   6.827   2.046   2.220
  411    HD1  TRP  80           HD1      TRP  80   3.503   3.893   1.987
  412    HE1  TRP  80           HE1      TRP  80   2.192   2.868   0.027
  413    HE3  TRP  80           HE3      TRP  80   6.491  -0.116   0.988
  414    HZ2  TRP  80           HZ2      TRP  80   2.386   0.671  -1.712
  415    HZ3  TRP  80           HZ3      TRP  80   5.858  -1.643  -0.831
  416    HH2  TRP  80           HH2      TRP  80   3.843  -1.258  -2.146
  417    H    VAL  81           HN       VAL  81   6.583  -0.503   3.671
  418    HA   VAL  81           HA       VAL  81   4.368  -1.912   2.667
  419    HB   VAL  81           HB       VAL  81   7.086  -2.606   3.675
  420   HG11  VAL  81          HG11      VAL  81   4.993  -4.717   3.197
  421   HG12  VAL  81          HG12      VAL  81   6.716  -4.991   3.463
  422   HG13  VAL  81          HG13      VAL  81   5.721  -4.317   4.753
  423   HG21  VAL  81          HG21      VAL  81   5.567  -3.325   1.180
  424   HG22  VAL  81          HG22      VAL  81   6.721  -2.001   1.349
  425   HG23  VAL  81          HG23      VAL  81   7.266  -3.672   1.496
  426    H    MET  82           HN       MET  82   5.944  -2.105   5.840
  427    HA   MET  82           HA       MET  82   3.779  -3.557   6.975
  428    HB2  MET  82           HB2      MET  82   4.894  -3.302   9.101
  429    HB3  MET  82           HB3      MET  82   6.046  -3.736   7.850
  430    HG2  MET  82           HG2      MET  82   6.694  -1.349   7.691
  431    HG3  MET  82           HG3      MET  82   5.642  -1.018   9.067
  432    HE1  MET  82           HE1      MET  82   7.359  -3.406  11.756
  433    HE2  MET  82           HE2      MET  82   5.960  -2.386  11.429
  434    HE3  MET  82           HE3      MET  82   6.164  -3.907  10.561
  435    H    TRP  83           HN       TRP  83   4.090  -0.176   6.335
  436    HA   TRP  83           HA       TRP  83   2.512   0.679   8.558
  437    HB2  TRP  83           HB2      TRP  83   3.851   2.336   7.369
  438    HB3  TRP  83           HB3      TRP  83   2.975   2.023   5.873
  439    HD1  TRP  83           HD1      TRP  83   2.523   3.712   9.296
  440    HE1  TRP  83           HE1      TRP  83   0.516   5.313   9.132
  441    HE3  TRP  83           HE3      TRP  83   0.869   2.474   4.626
  442    HZ2  TRP  83           HZ2      TRP  83  -1.492   5.973   7.261
  443    HZ3  TRP  83           HZ3      TRP  83  -1.095   3.637   3.720
  444    HH2  TRP  83           HH2      TRP  83  -2.247   5.349   5.009
  445    H    ALA  84           HN       ALA  84   1.535   0.275   5.094
  446    HA   ALA  84           HA       ALA  84  -1.207   0.657   5.648
  447    HB1  ALA  84           HB1      ALA  84  -0.298   0.719   3.361
  448    HB2  ALA  84           HB2      ALA  84   0.000  -1.020   3.437
  449    HB3  ALA  84           HB3      ALA  84  -1.653  -0.404   3.498
  450    H    VAL  85           HN       VAL  85   0.860  -2.134   5.648
  451    HA   VAL  85           HA       VAL  85  -0.919  -4.158   6.269
  452    HB   VAL  85           HB       VAL  85   1.987  -3.659   6.683
  453   HG11  VAL  85          HG11      VAL  85   2.314  -5.826   7.794
  454   HG12  VAL  85          HG12      VAL  85   1.413  -4.701   8.810
  455   HG13  VAL  85          HG13      VAL  85   0.571  -5.998   7.968
  456   HG21  VAL  85          HG21      VAL  85   2.174  -5.694   5.361
  457   HG22  VAL  85          HG22      VAL  85   0.419  -5.876   5.394
  458   HG23  VAL  85          HG23      VAL  85   1.146  -4.493   4.576
  459    H    ASN  86           HN       ASN  86   0.872  -2.072   8.592
  460    HA   ASN  86           HA       ASN  86  -0.311  -3.387  10.793
  461    HB2  ASN  86           HB2      ASN  86   1.031  -2.193  12.144
  462    HB3  ASN  86           HB3      ASN  86   1.890  -1.974  10.634
  463   HD21  ASN  86          HD21      ASN  86   0.030  -0.007   9.585
  464   HD22  ASN  86          HD22      ASN  86   0.314   1.446  10.503
  465    H    GLU  87           HN       GLU  87  -1.486  -0.945   8.764
  466    HA   GLU  87           HA       GLU  87  -3.219   0.325  10.695
  467    HB2  GLU  87           HB2      GLU  87  -2.480   1.634   8.789
  468    HB3  GLU  87           HB3      GLU  87  -3.057   0.411   7.669
  469    HG2  GLU  87           HG2      GLU  87  -4.548   2.291   7.663
  470    HG3  GLU  87           HG3      GLU  87  -5.363   0.894   8.363
  471    H    PHE  88           HN       PHE  88  -3.262  -2.137   8.260
  472    HA   PHE  88           HA       PHE  88  -6.066  -2.756   8.615
  473    HB2  PHE  88           HB2      PHE  88  -3.847  -3.509   6.790
  474    HB3  PHE  88           HB3      PHE  88  -5.161  -4.678   7.003
  475    HD1  PHE  88           HD1      PHE  88  -7.449  -4.125   6.382
  476    HD2  PHE  88           HD2      PHE  88  -4.233  -1.447   5.651
  477    HE1  PHE  88           HE1      PHE  88  -8.869  -2.856   4.825
  478    HE2  PHE  88           HE2      PHE  88  -5.639  -0.180   4.092
  479    HZ   PHE  88           HZ       PHE  88  -7.962  -0.879   3.681
  480    H    SER  89           HN       SER  89  -3.466  -3.386  10.438
  481    HA   SER  89           HA       SER  89  -2.747  -5.004  11.859
  482    HB2  SER  89           HB2      SER  89  -4.985  -4.687  12.821
  483    HB3  SER  89           HB3      SER  89  -5.653  -5.857  11.683
  484    HG   SER  89           HG       SER  89  -4.168  -7.400  12.663
  485    H    LEU  90           HN       LEU  90  -2.255  -5.515   9.134
  486    HA   LEU  90           HA       LEU  90  -3.152  -8.105   8.370
  487    HB2  LEU  90           HB2      LEU  90  -0.789  -6.545   7.308
  488    HB3  LEU  90           HB3      LEU  90  -1.616  -7.866   6.501
  489    HG   LEU  90           HG       LEU  90  -2.794  -5.142   7.138
  490   HD11  LEU  90          HD11      LEU  90  -1.195  -5.107   5.297
  491   HD12  LEU  90          HD12      LEU  90  -2.070  -6.409   4.497
  492   HD13  LEU  90          HD13      LEU  90  -2.844  -4.841   4.729
  493   HD21  LEU  90          HD21      LEU  90  -4.740  -5.934   5.860
  494   HD22  LEU  90          HD22      LEU  90  -3.999  -7.527   5.700
  495   HD23  LEU  90          HD23      LEU  90  -4.470  -6.929   7.291
  496    H    LYS  91           HN       LYS  91  -0.128  -6.806   9.640
  497    HA   LYS  91           HA       LYS  91   1.371  -7.651  11.116
  498    HB2  LYS  91           HB2      LYS  91  -0.968  -9.447  11.684
  499    HB3  LYS  91           HB3      LYS  91   0.523  -9.509  12.613
  500    HG2  LYS  91           HG2      LYS  91   0.226  -7.231  13.321
  501    HG3  LYS  91           HG3      LYS  91  -1.201  -7.072  12.292
  502    HD2  LYS  91           HD2      LYS  91  -2.445  -8.585  13.610
  503    HD3  LYS  91           HD3      LYS  91  -1.002  -9.150  14.458
  504    HE2  LYS  91           HE2      LYS  91  -2.133  -6.362  14.649
  505    HE3  LYS  91           HE3      LYS  91  -2.426  -7.647  15.820
  506    HZ1  LYS  91           HZ1      LYS  91   0.071  -7.763  16.045
  507    HZ2  LYS  91           HZ2      LYS  91  -0.678  -6.385  16.689
  508    HZ3  LYS  91           HZ3      LYS  91   0.134  -6.290  15.203
  509    H    GLY  92           HN       GLY  92   0.791  -9.372   8.351
  510    HA2  GLY  92           HA1      GLY  92   2.673 -11.456   9.160
  511    HA3  GLY  92           HA2      GLY  92   1.151 -11.909   8.400
  512    H    VAL  93           HN       VAL  93   3.511  -9.349   7.815
  513    HA   VAL  93           HA       VAL  93   3.495 -10.020   4.984
  514    HB   VAL  93           HB       VAL  93   3.817  -7.556   6.474
  515   HG11  VAL  93          HG11      VAL  93   5.580  -6.546   5.138
  516   HG12  VAL  93          HG12      VAL  93   6.219  -7.907   6.061
  517   HG13  VAL  93          HG13      VAL  93   5.879  -8.090   4.339
  518   HG21  VAL  93          HG21      VAL  93   2.219  -8.031   4.654
  519   HG22  VAL  93          HG22      VAL  93   3.210  -6.602   4.345
  520   HG23  VAL  93          HG23      VAL  93   3.583  -8.120   3.530
  521    H    ASP  94           HN       ASP  94   5.177 -10.958   4.000
  522    HA   ASP  94           HA       ASP  94   7.395 -11.783   5.683
  523    HB2  ASP  94           HB2      ASP  94   6.266 -13.359   4.046
  524    HB3  ASP  94           HB3      ASP  94   6.967 -12.393   2.749
  525    H    PHE  95           HN       PHE  95   8.662 -10.063   6.027
  526    HA   PHE  95           HA       PHE  95   8.996  -7.922   4.252
  527    HB2  PHE  95           HB2      PHE  95  10.736  -8.839   6.545
  528    HB3  PHE  95           HB3      PHE  95  10.974  -7.323   5.682
  529    HD1  PHE  95           HD1      PHE  95   9.413  -5.489   5.942
  530    HD2  PHE  95           HD2      PHE  95   8.885  -9.139   8.066
  531    HE1  PHE  95           HE1      PHE  95   7.809  -4.382   7.437
  532    HE2  PHE  95           HE2      PHE  95   7.273  -8.036   9.564
  533    HZ   PHE  95           HZ       PHE  95   6.734  -5.655   9.252
  534    H    GLN  96           HN       GLN  96  10.408 -11.003   4.353
  535    HA   GLN  96           HA       GLN  96  12.777 -10.351   2.861
  536    HB2  GLN  96           HB2      GLN  96  11.465 -12.929   3.654
  537    HB3  GLN  96           HB3      GLN  96  12.904 -12.882   2.647
  538    HG2  GLN  96           HG2      GLN  96  12.657 -11.758   5.428
  539    HG3  GLN  96           HG3      GLN  96  13.453 -13.272   4.987
  540   HE21  GLN  96          HE21      GLN  96  13.631  -9.810   4.921
  541   HE22  GLN  96          HE22      GLN  96  15.281  -9.697   4.424
  542    H    LYS  97           HN       LYS  97   9.534 -11.507   2.131
  543    HA   LYS  97           HA       LYS  97  10.103 -11.838  -0.673
  544    HB2  LYS  97           HB2      LYS  97   8.077 -12.703   0.951
  545    HB3  LYS  97           HB3      LYS  97   7.312 -11.322   0.179
  546    HG2  LYS  97           HG2      LYS  97   8.598 -13.622  -1.277
  547    HG3  LYS  97           HG3      LYS  97   6.871 -13.447  -0.978
  548    HD2  LYS  97           HD2      LYS  97   6.796 -11.444  -2.325
  549    HD3  LYS  97           HD3      LYS  97   8.550 -11.473  -2.521
  550    HE2  LYS  97           HE2      LYS  97   6.667 -13.617  -3.496
  551    HE3  LYS  97           HE3      LYS  97   7.335 -12.329  -4.498
  552    HZ1  LYS  97           HZ1      LYS  97   8.579 -14.405  -4.708
  553    HZ2  LYS  97           HZ2      LYS  97   8.936 -14.373  -3.051
  554    HZ3  LYS  97           HZ3      LYS  97   9.545 -13.164  -4.072
  555    H    PHE  98           HN       PHE  98   9.310  -9.392   1.547
  556    HA   PHE  98           HA       PHE  98   8.557  -7.428  -0.452
  557    HB2  PHE  98           HB2      PHE  98   8.607  -7.516   2.527
  558    HB3  PHE  98           HB3      PHE  98   8.582  -5.958   1.705
  559    HD1  PHE  98           HD1      PHE  98   6.684  -5.271   0.403
  560    HD2  PHE  98           HD2      PHE  98   6.691  -8.991   2.464
  561    HE1  PHE  98           HE1      PHE  98   4.255  -5.434   0.104
  562    HE2  PHE  98           HE2      PHE  98   4.262  -9.165   2.155
  563    HZ   PHE  98           HZ       PHE  98   3.040  -7.381   0.979
  564    H    CYS  99           HN       CYS  99  11.319  -8.692  -0.082
  565    HA   CYS  99           HA       CYS  99  13.037  -6.533   0.634
  566    HB2  CYS  99           HB2      CYS  99  13.392  -9.164  -0.731
  567    HB3  CYS  99           HB3      CYS  99  14.722  -8.018  -0.641
  568    HG   CYS  99           HG       CYS  99  14.730 -10.199   1.324
  569    H    MET 100           HN       MET 100  11.966  -4.900  -0.675
  570    HA   MET 100           HA       MET 100  13.047  -4.900  -3.405
  571    HB2  MET 100           HB2      MET 100  10.538  -3.651  -2.305
  572    HB3  MET 100           HB3      MET 100  11.282  -3.057  -3.782
  573    HG2  MET 100           HG2      MET 100   9.685  -4.479  -4.580
  574    HG3  MET 100           HG3      MET 100  11.128  -5.509  -4.549
  575    HE1  MET 100           HE1      MET 100   7.746  -4.625  -2.783
  576    HE2  MET 100           HE2      MET 100   7.794  -5.681  -1.369
  577    HE3  MET 100           HE3      MET 100   8.929  -4.340  -1.508
  578    H    SER 101           HN       SER 101  14.529  -3.379  -3.829
  579    HA   SER 101           HA       SER 101  14.674  -0.975  -2.246
  580    HB2  SER 101           HB2      SER 101  15.752  -1.458  -5.046
  581    HB3  SER 101           HB3      SER 101  16.247  -0.187  -3.927
  582    HG   SER 101           HG       SER 101  16.797  -2.949  -3.865
  583    H    GLY 102           HN       GLY 102  13.877   1.111  -3.181
  584    HA2  GLY 102           HA1      GLY 102  11.209   0.886  -3.793
  585    HA3  GLY 102           HA2      GLY 102  12.158   2.320  -4.078
  586    H    ALA 103           HN       ALA 103  13.878   1.290  -6.119
  587    HA   ALA 103           HA       ALA 103  12.272   1.579  -8.405
  588    HB1  ALA 103           HB1      ALA 103  14.701   1.990  -8.382
  589    HB2  ALA 103           HB2      ALA 103  14.980   0.256  -8.215
  590    HB3  ALA 103           HB3      ALA 103  14.225   0.891  -9.678
  591    H    ALA 104           HN       ALA 104  13.427  -1.240  -6.675
  592    HA   ALA 104           HA       ALA 104  12.342  -3.189  -8.436
  593    HB1  ALA 104           HB1      ALA 104  14.141  -3.705  -6.839
  594    HB2  ALA 104           HB2      ALA 104  13.022  -3.432  -5.502
  595    HB3  ALA 104           HB3      ALA 104  12.751  -4.768  -6.625
  596    H    LEU 105           HN       LEU 105  11.231  -1.772  -5.312
  597    HA   LEU 105           HA       LEU 105   8.841  -2.879  -4.960
  598    HB2  LEU 105           HB2      LEU 105   9.775  -1.119  -3.533
  599    HB3  LEU 105           HB3      LEU 105   9.475   0.082  -4.788
  600    HG   LEU 105           HG       LEU 105   7.053  -0.462  -4.633
  601   HD11  LEU 105          HD11      LEU 105   7.013  -2.630  -3.743
  602   HD12  LEU 105          HD12      LEU 105   8.031  -2.168  -2.371
  603   HD13  LEU 105          HD13      LEU 105   6.366  -1.585  -2.472
  604   HD21  LEU 105          HD21      LEU 105   8.296   0.458  -2.056
  605   HD22  LEU 105          HD22      LEU 105   8.018   1.463  -3.480
  606   HD23  LEU 105          HD23      LEU 105   6.649   0.775  -2.609
  607    H    CYS 106           HN       CYS 106   9.376  -0.049  -6.893
  608    HA   CYS 106           HA       CYS 106   6.830   0.165  -7.953
  609    HB2  CYS 106           HB2      CYS 106   8.783   1.821  -7.866
  610    HB3  CYS 106           HB3      CYS 106   9.326   1.059  -9.352
  611    HG   CYS 106           HG       CYS 106   6.877   1.676 -10.711
  612    H    ALA 107           HN       ALA 107   9.754  -1.314  -9.381
  613    HA   ALA 107           HA       ALA 107   8.705  -1.826 -11.890
  614    HB1  ALA 107           HB1      ALA 107  10.859  -3.380 -10.479
  615    HB2  ALA 107           HB2      ALA 107  10.583  -3.303 -12.218
  616    HB3  ALA 107           HB3      ALA 107  11.089  -1.859 -11.341
  617    H    LEU 108           HN       LEU 108   8.215  -3.724  -8.948
  618    HA   LEU 108           HA       LEU 108   7.795  -6.194 -10.160
  619    HB2  LEU 108           HB2      LEU 108   6.272  -6.680  -8.134
  620    HB3  LEU 108           HB3      LEU 108   7.978  -6.409  -7.884
  621    HG   LEU 108           HG       LEU 108   7.441  -4.074  -7.163
  622   HD11  LEU 108          HD11      LEU 108   4.591  -5.063  -7.319
  623   HD12  LEU 108          HD12      LEU 108   5.115  -3.604  -6.467
  624   HD13  LEU 108          HD13      LEU 108   5.296  -3.720  -8.218
  625   HD21  LEU 108          HD21      LEU 108   7.860  -5.867  -5.586
  626   HD22  LEU 108          HD22      LEU 108   6.635  -4.757  -4.971
  627   HD23  LEU 108          HD23      LEU 108   6.155  -6.320  -5.632
  628    H    GLY 109           HN       GLY 109   5.546  -3.509  -9.855
  629    HA2  GLY 109           HA1      GLY 109   3.551  -3.158 -10.970
  630    HA3  GLY 109           HA2      GLY 109   3.821  -4.663 -11.838
  631    H    LYS 110           HN       LYS 110   1.315  -3.866 -10.887
  632    HA   LYS 110           HA       LYS 110   0.485  -4.735  -8.444
  633    HB2  LYS 110           HB2      LYS 110  -1.504  -4.176  -9.303
  634    HB3  LYS 110           HB3      LYS 110  -0.765  -4.070 -10.890
  635    HG2  LYS 110           HG2      LYS 110  -2.542  -5.501 -11.248
  636    HG3  LYS 110           HG3      LYS 110  -1.200  -6.611 -11.004
  637    HD2  LYS 110           HD2      LYS 110  -2.084  -6.346  -8.474
  638    HD3  LYS 110           HD3      LYS 110  -3.591  -6.150  -9.368
  639    HE2  LYS 110           HE2      LYS 110  -1.668  -8.468  -9.657
  640    HE3  LYS 110           HE3      LYS 110  -3.166  -8.502  -8.732
  641    HZ1  LYS 110           HZ1      LYS 110  -4.366  -8.013 -10.824
  642    HZ2  LYS 110           HZ2      LYS 110  -3.538  -9.490 -10.859
  643    HZ3  LYS 110           HZ3      LYS 110  -2.902  -8.147 -11.676
  644    H    GLU 111           HN       GLU 111   0.729  -6.844 -11.337
  645    HA   GLU 111           HA       GLU 111  -0.238  -9.162 -10.247
  646    HB2  GLU 111           HB2      GLU 111   0.319  -8.910 -12.608
  647    HB3  GLU 111           HB3      GLU 111   2.033  -8.882 -12.214
  648    HG2  GLU 111           HG2      GLU 111   1.917 -11.170 -11.428
  649    HG3  GLU 111           HG3      GLU 111   0.181 -11.206 -11.735
  650    H    CYS 112           HN       CYS 112   3.171  -8.199 -10.292
  651    HA   CYS 112           HA       CYS 112   4.074 -10.473  -8.900
  652    HB2  CYS 112           HB2      CYS 112   5.582  -9.117 -10.267
  653    HB3  CYS 112           HB3      CYS 112   5.384  -7.763  -9.163
  654    HG   CYS 112           HG       CYS 112   6.434 -10.511  -7.594
  655    H    PHE 113           HN       PHE 113   3.477  -7.127  -7.769
  656    HA   PHE 113           HA       PHE 113   4.160  -7.491  -5.136
  657    HB2  PHE 113           HB2      PHE 113   3.377  -5.350  -6.412
  658    HB3  PHE 113           HB3      PHE 113   1.782  -5.793  -5.819
  659    HD1  PHE 113           HD2      PHE 113   1.609  -6.272  -3.289
  660    HD2  PHE 113           HD1      PHE 113   4.787  -4.032  -5.058
  661    HE1  PHE 113           HE2      PHE 113   2.130  -5.289  -1.112
  662    HE2  PHE 113           HE1      PHE 113   5.305  -3.071  -2.867
  663    HZ   PHE 113           HZ       PHE 113   3.988  -3.701  -0.892
  664    H    LEU 114           HN       LEU 114   0.995  -8.204  -6.620
  665    HA   LEU 114           HA       LEU 114  -0.112  -8.842  -4.047
  666    HB2  LEU 114           HB2      LEU 114  -1.417  -9.751  -6.564
  667    HB3  LEU 114           HB3      LEU 114  -2.139  -9.267  -5.042
  668    HG   LEU 114           HG       LEU 114  -1.240  -7.610  -7.330
  669   HD11  LEU 114          HD11      LEU 114  -3.296  -6.383  -6.704
  670   HD12  LEU 114          HD12      LEU 114  -3.572  -8.085  -7.080
  671   HD13  LEU 114          HD13      LEU 114  -3.543  -7.547  -5.402
  672   HD21  LEU 114          HD21      LEU 114  -1.462  -6.434  -4.581
  673   HD22  LEU 114          HD22      LEU 114   0.074  -6.796  -5.372
  674   HD23  LEU 114          HD23      LEU 114  -1.028  -5.618  -6.086
  675    H    GLU 115           HN       GLU 115   1.533 -10.585  -6.526
  676    HA   GLU 115           HA       GLU 115   0.998 -13.153  -5.358
  677    HB2  GLU 115           HB2      GLU 115   3.085 -12.193  -7.314
  678    HB3  GLU 115           HB3      GLU 115   2.967 -13.863  -6.782
  679    HG2  GLU 115           HG2      GLU 115   0.792 -12.340  -8.196
  680    HG3  GLU 115           HG3      GLU 115   1.906 -13.473  -8.963
  681    H    LEU 116           HN       LEU 116   2.800 -10.484  -4.612
  682    HA   LEU 116           HA       LEU 116   5.109 -11.804  -3.472
  683    HB2  LEU 116           HB2      LEU 116   5.796  -9.906  -4.509
  684    HB3  LEU 116           HB3      LEU 116   4.272  -9.081  -4.254
  685    HG   LEU 116           HG       LEU 116   5.952  -9.453  -1.860
  686   HD11  LEU 116          HD11      LEU 116   6.680  -7.528  -4.052
  687   HD12  LEU 116          HD12      LEU 116   7.385  -7.568  -2.437
  688   HD13  LEU 116          HD13      LEU 116   7.640  -8.916  -3.544
  689   HD21  LEU 116          HD21      LEU 116   3.832  -8.260  -1.813
  690   HD22  LEU 116          HD22      LEU 116   5.185  -7.199  -1.418
  691   HD23  LEU 116          HD23      LEU 116   4.451  -7.133  -3.020
  692    H    ALA 117           HN       ALA 117   2.127 -10.368  -2.469
  693    HA   ALA 117           HA       ALA 117   2.682 -11.272   0.284
  694    HB1  ALA 117           HB1      ALA 117   1.412  -9.397   1.184
  695    HB2  ALA 117           HB2      ALA 117   2.754  -8.796   0.206
  696    HB3  ALA 117           HB3      ALA 117   1.115  -8.790  -0.447
  697    HA   PRO 118           HA       PRO 118  -1.584 -13.056   0.164
  698    HB2  PRO 118           HB2      PRO 118  -2.403 -10.825   1.976
  699    HB3  PRO 118           HB3      PRO 118  -2.782 -12.549   2.083
  700    HG2  PRO 118           HG2      PRO 118  -0.947 -11.462   3.680
  701    HG3  PRO 118           HG3      PRO 118  -0.719 -13.084   3.000
  702    HD2  PRO 118           HD2      PRO 118   0.592 -10.518   2.263
  703    HD3  PRO 118           HD3      PRO 118   1.226 -12.174   2.183
  704    H    ASP 119           HN       ASP 119  -3.198 -12.631  -1.292
  705    HA   ASP 119           HA       ASP 119  -2.702 -10.588  -3.107
  706    HB2  ASP 119           HB2      ASP 119  -4.444 -11.412  -4.404
  707    HB3  ASP 119           HB3      ASP 119  -3.924 -12.811  -3.473
  708    H    PHE 120           HN       PHE 120  -4.522 -10.274  -0.188
  709    HA   PHE 120           HA       PHE 120  -6.010  -8.004  -1.240
  710    HB2  PHE 120           HB2      PHE 120  -7.139  -9.546   0.380
  711    HB3  PHE 120           HB3      PHE 120  -5.956  -9.051   1.587
  712    HD1  PHE 120           HD1      PHE 120  -7.515  -6.794  -0.888
  713    HD2  PHE 120           HD2      PHE 120  -7.420  -8.098   3.163
  714    HE1  PHE 120           HE1      PHE 120  -8.935  -4.890  -0.246
  715    HE2  PHE 120           HE2      PHE 120  -8.841  -6.198   3.813
  716    HZ   PHE 120           HZ       PHE 120  -9.598  -4.592   2.107
  717    H    VAL 121           HN       VAL 121  -3.388  -8.879   0.812
  718    HA   VAL 121           HA       VAL 121  -2.867  -6.291   1.862
  719    HB   VAL 121           HB       VAL 121  -1.173  -8.781   1.731
  720   HG11  VAL 121          HG11      VAL 121  -0.857  -6.308   3.431
  721   HG12  VAL 121          HG12      VAL 121   0.116  -7.777   3.547
  722   HG13  VAL 121          HG13      VAL 121   0.186  -6.784   2.090
  723   HG21  VAL 121          HG21      VAL 121  -2.030  -9.260   3.900
  724   HG22  VAL 121          HG22      VAL 121  -2.847  -7.694   3.975
  725   HG23  VAL 121          HG23      VAL 121  -3.401  -8.917   2.828
  726    H    GLY 122           HN       GLY 122  -1.464  -8.324  -0.689
  727    HA2  GLY 122           HA1      GLY 122   0.529  -6.608  -1.566
  728    HA3  GLY 122           HA2      GLY 122  -0.362  -7.731  -2.590
  729    H    ASP 123           HN       ASP 123  -2.930  -6.669  -2.398
  730    HA   ASP 123           HA       ASP 123  -2.699  -4.533  -4.274
  731    HB2  ASP 123           HB2      ASP 123  -4.423  -6.163  -4.616
  732    HB3  ASP 123           HB3      ASP 123  -5.074  -5.903  -3.000
  733    H    ILE 124           HN       ILE 124  -3.810  -4.847  -0.923
  734    HA   ILE 124           HA       ILE 124  -4.464  -2.237  -0.353
  735    HB   ILE 124           HB       ILE 124  -3.271  -4.466   1.241
  736   HG12  ILE 124          HG12      ILE 124  -5.776  -2.798   1.561
  737   HG13  ILE 124          HG13      ILE 124  -5.688  -4.353   0.736
  738   HG21  ILE 124          HG21      ILE 124  -3.193  -3.155   3.269
  739   HG22  ILE 124          HG22      ILE 124  -2.141  -2.410   2.064
  740   HG23  ILE 124          HG23      ILE 124  -3.724  -1.713   2.405
  741   HD11  ILE 124          HD11      ILE 124  -5.056  -3.901   3.642
  742   HD12  ILE 124          HD12      ILE 124  -6.580  -4.529   3.011
  743   HD13  ILE 124          HD13      ILE 124  -5.093  -5.453   2.799
  744    H    LEU 125           HN       LEU 125  -1.249  -3.668   0.167
  745    HA   LEU 125           HA       LEU 125   0.088  -1.251   0.492
  746    HB2  LEU 125           HB2      LEU 125   0.832  -4.051  -0.097
  747    HB3  LEU 125           HB3      LEU 125   2.045  -2.822  -0.427
  748    HG   LEU 125           HG       LEU 125   0.649  -3.096   2.221
  749   HD11  LEU 125          HD11      LEU 125   1.922  -5.129   1.730
  750   HD12  LEU 125          HD12      LEU 125   3.348  -4.150   1.388
  751   HD13  LEU 125          HD13      LEU 125   2.673  -4.186   3.019
  752   HD21  LEU 125          HD21      LEU 125   2.495  -1.696   2.989
  753   HD22  LEU 125          HD22      LEU 125   3.141  -1.641   1.347
  754   HD23  LEU 125          HD23      LEU 125   1.581  -0.898   1.708
  755    H    TRP 126           HN       TRP 126  -0.563  -3.140  -2.430
  756    HA   TRP 126           HA       TRP 126   1.015  -1.621  -4.181
  757    HB2  TRP 126           HB2      TRP 126   0.180  -3.719  -4.983
  758    HB3  TRP 126           HB3      TRP 126  -1.493  -3.225  -4.717
  759    HD1  TRP 126           HD1      TRP 126  -2.703  -2.275  -6.744
  760    HE1  TRP 126           HE1      TRP 126  -1.993  -1.258  -9.028
  761    HE3  TRP 126           HE3      TRP 126   2.361  -2.424  -6.148
  762    HZ2  TRP 126           HZ2      TRP 126   0.423  -0.639 -10.366
  763    HZ3  TRP 126           HZ3      TRP 126   3.803  -1.620  -7.974
  764    HH2  TRP 126           HH2      TRP 126   2.847  -0.752 -10.044
  765    H    GLU 127           HN       GLU 127  -2.348  -1.179  -3.106
  766    HA   GLU 127           HA       GLU 127  -2.956   1.027  -4.680
  767    HB2  GLU 127           HB2      GLU 127  -3.944  -0.016  -2.113
  768    HB3  GLU 127           HB3      GLU 127  -4.164   1.715  -2.342
  769    HG2  GLU 127           HG2      GLU 127  -5.059  -0.412  -4.258
  770    HG3  GLU 127           HG3      GLU 127  -6.093   0.394  -3.074
  771    H    HIS 128           HN       HIS 128  -1.673   1.108  -1.316
  772    HA   HIS 128           HA       HIS 128  -1.176   3.876  -1.460
  773    HB2  HIS 128           HB2      HIS 128  -1.093   2.425   0.657
  774    HB3  HIS 128           HB3      HIS 128   0.564   2.047   0.183
  775    HD1  HIS 128           HD1      HIS 128   0.957   3.365   2.596
  776    HD2  HIS 128           HD2      HIS 128  -0.150   5.653  -0.704
  777    HE1  HIS 128           HE1      HIS 128   1.491   5.744   3.214
  778    HE2  HIS 128           HE2      HIS 128   0.709   7.126   1.263
  779    H    LEU 129           HN       LEU 129   0.791   1.140  -2.522
  780    HA   LEU 129           HA       LEU 129   3.121   2.505  -3.150
  781    HB2  LEU 129           HB2      LEU 129   2.832   0.067  -3.345
  782    HB3  LEU 129           HB3      LEU 129   1.736   0.302  -4.690
  783    HG   LEU 129           HG       LEU 129   3.440   0.812  -6.172
  784   HD11  LEU 129          HD11      LEU 129   4.383   2.623  -4.783
  785   HD12  LEU 129          HD12      LEU 129   5.235   1.410  -3.826
  786   HD13  LEU 129          HD13      LEU 129   5.626   1.619  -5.533
  787   HD21  LEU 129          HD21      LEU 129   4.796  -0.955  -4.142
  788   HD22  LEU 129          HD22      LEU 129   3.653  -1.503  -5.368
  789   HD23  LEU 129          HD23      LEU 129   5.204  -0.819  -5.853
  790    H    GLU 130           HN       GLU 130   0.179   2.013  -5.017
  791    HA   GLU 130           HA       GLU 130   1.015   3.598  -7.156
  792    HB2  GLU 130           HB2      GLU 130  -0.802   1.840  -7.247
  793    HB3  GLU 130           HB3      GLU 130  -1.849   2.977  -6.405
  794    HG2  GLU 130           HG2      GLU 130  -1.392   4.587  -8.306
  795    HG3  GLU 130           HG3      GLU 130  -0.674   3.218  -9.157
  796    H    ILE 131           HN       ILE 131  -0.889   4.231  -4.312
  797    HA   ILE 131           HA       ILE 131  -1.628   6.858  -4.836
  798    HB   ILE 131           HB       ILE 131  -1.264   5.234  -2.384
  799   HG12  ILE 131          HG12      ILE 131  -3.633   5.663  -2.071
  800   HG13  ILE 131          HG13      ILE 131  -3.629   6.875  -3.347
  801   HG21  ILE 131          HG21      ILE 131  -1.666   8.219  -2.432
  802   HG22  ILE 131          HG22      ILE 131  -2.070   7.209  -1.037
  803   HG23  ILE 131          HG23      ILE 131  -0.400   7.312  -1.605
  804   HD11  ILE 131          HD11      ILE 131  -4.683   4.934  -4.195
  805   HD12  ILE 131          HD12      ILE 131  -3.097   5.025  -4.958
  806   HD13  ILE 131          HD13      ILE 131  -3.377   3.889  -3.632
  807    H    LEU 132           HN       LEU 132   1.334   5.651  -3.190
  808    HA   LEU 132           HA       LEU 132   2.446   8.130  -2.555
  809    HB2  LEU 132           HB2      LEU 132   4.078   5.820  -3.581
  810    HB3  LEU 132           HB3      LEU 132   4.611   7.115  -2.531
  811    HG   LEU 132           HG       LEU 132   2.409   5.473  -1.480
  812   HD11  LEU 132          HD11      LEU 132   3.732   3.819  -2.675
  813   HD12  LEU 132          HD12      LEU 132   5.202   4.400  -1.890
  814   HD13  LEU 132          HD13      LEU 132   3.935   3.632  -0.932
  815   HD21  LEU 132          HD21      LEU 132   3.805   5.585   0.562
  816   HD22  LEU 132          HD22      LEU 132   5.063   6.417  -0.352
  817   HD23  LEU 132          HD23      LEU 132   3.495   7.191  -0.111
  818    H    GLN 133           HN       GLN 133   2.356   6.359  -5.534
  819    HA   GLN 133           HA       GLN 133   4.149   8.233  -6.832
  820    HB2  GLN 133           HB2      GLN 133   4.309   6.737  -8.590
  821    HB3  GLN 133           HB3      GLN 133   4.068   5.669  -7.217
  822    HG2  GLN 133           HG2      GLN 133   1.531   5.944  -7.951
  823    HG3  GLN 133           HG3      GLN 133   2.295   6.255  -9.511
  824   HE21  GLN 133          HE21      GLN 133   3.506   4.133  -6.991
  825   HE22  GLN 133          HE22      GLN 133   3.309   2.659  -7.877
  826    H    LYS 134           HN       LYS 134   0.658   7.574  -6.616
  827    HA   LYS 134           HA       LYS 134  -0.250   9.033  -8.706
  828    HB2  LYS 134           HB2      LYS 134  -2.136   8.293  -7.824
  829    HB3  LYS 134           HB3      LYS 134  -1.278   7.825  -6.373
  830    HG2  LYS 134           HG2      LYS 134  -2.294  10.621  -6.707
  831    HG3  LYS 134           HG3      LYS 134  -3.365   9.320  -6.195
  832    HD2  LYS 134           HD2      LYS 134  -1.597   8.832  -4.390
  833    HD3  LYS 134           HD3      LYS 134  -0.948  10.421  -4.797
  834    HE2  LYS 134           HE2      LYS 134  -3.765   9.859  -3.876
  835    HE3  LYS 134           HE3      LYS 134  -2.466  10.518  -2.882
  836    HZ1  LYS 134           HZ1      LYS 134  -3.951  12.247  -3.699
  837    HZ2  LYS 134           HZ2      LYS 134  -3.600  11.826  -5.303
  838    HZ3  LYS 134           HZ3      LYS 134  -2.384  12.460  -4.306
  839    H    GLU 135           HN       GLU 135   1.155  10.327  -5.761
  840    HA   GLU 135           HA       GLU 135   0.266  12.983  -6.168
  841    HB2  GLU 135           HB2      GLU 135   2.806  12.046  -4.827
  842    HB3  GLU 135           HB3      GLU 135   2.053  13.624  -4.640
  843    HG2  GLU 135           HG2      GLU 135   0.055  12.457  -3.687
  844    HG3  GLU 135           HG3      GLU 135   1.003  10.968  -3.702
  845    H    ASP 136           HN       ASP 136   2.646  11.032  -7.665
  846    HA   ASP 136           HA       ASP 136   3.935  13.299  -8.985
  847    HB2  ASP 136           HB2      ASP 136   5.363  11.473  -8.127
  848    HB3  ASP 136           HB3      ASP 136   4.512  10.328  -9.158
  849    H    VAL 137           HN       VAL 137   1.765  10.639  -9.526
  850    HA   VAL 137           HA       VAL 137   1.524  10.578 -12.281
  851    HB   VAL 137           HB       VAL 137  -0.632  10.246 -10.181
  852   HG11  VAL 137          HG11      VAL 137  -1.903   9.044 -11.909
  853   HG12  VAL 137          HG12      VAL 137  -1.666  10.741 -12.323
  854   HG13  VAL 137          HG13      VAL 137  -0.690   9.499 -13.105
  855   HG21  VAL 137          HG21      VAL 137  -0.268   7.849 -10.517
  856   HG22  VAL 137          HG22      VAL 137   1.010   8.203 -11.683
  857   HG23  VAL 137          HG23      VAL 137   1.212   8.652  -9.990
  858    H    LYS 138           HN       LYS 138   0.863  12.001 -13.755
  859    HA   LYS 138           HA       LYS 138  -0.569  14.398 -12.830
  860    HB2  LYS 138           HB2      LYS 138   1.844  14.850 -12.939
  861    HB3  LYS 138           HB3      LYS 138   1.870  14.322 -14.614
  862    HG2  LYS 138           HG2      LYS 138   0.455  16.182 -15.249
  863    HG3  LYS 138           HG3      LYS 138   0.347  16.693 -13.561
  864    HD2  LYS 138           HD2      LYS 138   2.007  17.989 -14.858
  865    HD3  LYS 138           HD3      LYS 138   2.723  17.121 -13.497
  866    HE2  LYS 138           HE2      LYS 138   3.390  15.317 -15.063
  867    HE3  LYS 138           HE3      LYS 138   2.778  16.294 -16.398
  868    HZ1  LYS 138           HZ1      LYS 138   4.925  17.150 -14.532
  869    HZ2  LYS 138           HZ2      LYS 138   4.393  17.981 -15.909
  870    HZ3  LYS 138           HZ3      LYS 138   5.193  16.495 -16.072
  Start of MODEL   12
    1    H1   MET  29           H1       MET  29 -15.245   6.454  17.261
    2    H2   MET  29           H2       MET  29 -16.787   7.065  16.911
    3    H3   MET  29           H3       MET  29 -15.468   7.480  15.934
    4    HA   MET  29           HA       MET  29 -15.211   5.203  15.241
    5    HB2  MET  29           HB2      MET  29 -17.041   3.592  15.789
    6    HB3  MET  29           HB3      MET  29 -16.031   4.037  17.153
    7    HG2  MET  29           HG2      MET  29 -18.179   4.034  18.020
    8    HG3  MET  29           HG3      MET  29 -17.853   5.737  17.719
    9    HE1  MET  29           HE1      MET  29 -19.772   2.542  16.614
   10    HE2  MET  29           HE2      MET  29 -20.605   3.069  15.150
   11    HE3  MET  29           HE3      MET  29 -18.852   2.879  15.147
   12    H    GLU  30           HN       GLU  30 -17.474   7.672  15.270
   13    HA   GLU  30           HA       GLU  30 -18.702   8.658  13.659
   14    HB2  GLU  30           HB2      GLU  30 -16.789   8.218  12.190
   15    HB3  GLU  30           HB3      GLU  30 -17.436   6.628  11.812
   16    HG2  GLU  30           HG2      GLU  30 -17.872   8.200  10.020
   17    HG3  GLU  30           HG3      GLU  30 -19.377   7.656  10.761
   18    H    CYS  31           HN       CYS  31 -20.606   7.965  14.707
   19    HA   CYS  31           HA       CYS  31 -22.008   5.790  13.306
   20    HB2  CYS  31           HB2      CYS  31 -23.634   5.890  15.192
   21    HB3  CYS  31           HB3      CYS  31 -22.001   5.484  15.705
   22    HG   CYS  31           HG       CYS  31 -23.057   7.092  17.678
   23    H    ALA  32           HN       ALA  32 -21.600   9.028  13.144
   24    HA   ALA  32           HA       ALA  32 -24.346   9.802  12.675
   25    HB1  ALA  32           HB1      ALA  32 -22.785  11.403  13.663
   26    HB2  ALA  32           HB2      ALA  32 -21.788  11.333  12.209
   27    HB3  ALA  32           HB3      ALA  32 -23.421  11.996  12.128
   28    H    ASP  33           HN       ASP  33 -21.377   9.698  10.690
   29    HA   ASP  33           HA       ASP  33 -23.049   9.314   8.312
   30    HB2  ASP  33           HB2      ASP  33 -21.090  10.906   8.234
   31    HB3  ASP  33           HB3      ASP  33 -20.028   9.517   8.441
   32    H    VAL  34           HN       VAL  34 -23.689   7.271   9.473
   33    HA   VAL  34           HA       VAL  34 -21.962   5.110   9.806
   34    HB   VAL  34           HB       VAL  34 -24.203   5.058  10.726
   35   HG11  VAL  34          HG11      VAL  34 -25.403   6.275   9.000
   36   HG12  VAL  34          HG12      VAL  34 -25.186   4.933   7.878
   37   HG13  VAL  34          HG13      VAL  34 -26.187   4.726   9.313
   38   HG21  VAL  34          HG21      VAL  34 -24.891   2.795  10.069
   39   HG22  VAL  34          HG22      VAL  34 -23.813   2.882   8.675
   40   HG23  VAL  34          HG23      VAL  34 -23.146   2.913  10.307
   41    HA   PRO  35           HA       PRO  35 -20.720   4.464   5.620
   42    HB2  PRO  35           HB2      PRO  35 -19.619   1.978   5.963
   43    HB3  PRO  35           HB3      PRO  35 -18.804   3.484   6.398
   44    HG2  PRO  35           HG2      PRO  35 -20.341   1.592   8.133
   45    HG3  PRO  35           HG3      PRO  35 -18.791   2.393   8.457
   46    HD2  PRO  35           HD2      PRO  35 -21.075   3.304   9.518
   47    HD3  PRO  35           HD3      PRO  35 -19.809   4.422   8.965
   48    H    LEU  36           HN       LEU  36 -22.055   3.975   4.078
   49    HA   LEU  36           HA       LEU  36 -23.821   1.640   4.314
   50    HB2  LEU  36           HB2      LEU  36 -23.955   3.960   2.378
   51    HB3  LEU  36           HB3      LEU  36 -25.150   2.688   2.549
   52    HG   LEU  36           HG       LEU  36 -24.480   4.767   4.635
   53   HD11  LEU  36          HD11      LEU  36 -25.680   5.666   2.707
   54   HD12  LEU  36          HD12      LEU  36 -26.923   4.431   2.906
   55   HD13  LEU  36          HD13      LEU  36 -26.688   5.656   4.154
   56   HD21  LEU  36          HD21      LEU  36 -26.588   2.608   4.637
   57   HD22  LEU  36          HD22      LEU  36 -25.139   2.643   5.642
   58   HD23  LEU  36          HD23      LEU  36 -26.391   3.865   5.858
   59    H    LEU  37           HN       LEU  37 -21.263   1.028   3.870
   60    HA   LEU  37           HA       LEU  37 -21.037   0.504   0.984
   61    HB2  LEU  37           HB2      LEU  37 -18.767   0.883   2.940
   62    HB3  LEU  37           HB3      LEU  37 -18.639   0.699   1.203
   63    HG   LEU  37           HG       LEU  37 -19.925   3.059   2.578
   64   HD11  LEU  37          HD11      LEU  37 -17.210   2.796   1.296
   65   HD12  LEU  37          HD12      LEU  37 -17.921   4.285   1.918
   66   HD13  LEU  37          HD13      LEU  37 -17.529   2.968   3.022
   67   HD21  LEU  37          HD21      LEU  37 -19.801   4.084   0.356
   68   HD22  LEU  37          HD22      LEU  37 -19.183   2.567  -0.303
   69   HD23  LEU  37          HD23      LEU  37 -20.817   2.642   0.357
   70    H    THR  38           HN       THR  38 -20.864  -1.619   0.462
   71    HA   THR  38           HA       THR  38 -20.450  -3.512   2.673
   72    HB   THR  38           HB       THR  38 -21.409  -4.174  -0.113
   73    HG1  THR  38           HG1      THR  38 -22.925  -2.740   0.744
   74   HG21  THR  38          HG21      THR  38 -21.682  -5.590   2.542
   75   HG22  THR  38          HG22      THR  38 -20.605  -6.056   1.225
   76   HG23  THR  38          HG23      THR  38 -22.353  -6.149   1.009
   77    HA   PRO  39           HA       PRO  39 -16.509  -3.816   0.614
   78    HB2  PRO  39           HB2      PRO  39 -15.062  -3.971   2.890
   79    HB3  PRO  39           HB3      PRO  39 -15.768  -2.461   2.303
   80    HG2  PRO  39           HG2      PRO  39 -16.509  -4.063   4.628
   81    HG3  PRO  39           HG3      PRO  39 -16.979  -2.407   4.215
   82    HD2  PRO  39           HD2      PRO  39 -18.451  -4.902   3.813
   83    HD3  PRO  39           HD3      PRO  39 -19.028  -3.226   3.691
   84    H    SER  40           HN       SER  40 -15.512  -5.533  -0.205
   85    HA   SER  40           HA       SER  40 -15.045  -7.794   1.608
   86    HB2  SER  40           HB2      SER  40 -16.772  -8.471   0.001
   87    HB3  SER  40           HB3      SER  40 -15.732  -7.991  -1.337
   88    HG   SER  40           HG       SER  40 -15.563 -10.206   0.373
   89    H    SER  41           HN       SER  41 -14.012  -6.774  -1.691
   90    HA   SER  41           HA       SER  41 -11.275  -7.306  -0.849
   91    HB2  SER  41           HB2      SER  41 -11.988  -8.228  -2.996
   92    HB3  SER  41           HB3      SER  41 -12.379  -6.612  -3.579
   93    HG   SER  41           HG       SER  41  -9.803  -7.586  -2.853
   94    H    LYS  42           HN       LYS  42 -12.782  -4.638  -2.732
   95    HA   LYS  42           HA       LYS  42 -10.457  -3.044  -2.048
   96    HB2  LYS  42           HB2      LYS  42 -11.557  -3.268  -4.396
   97    HB3  LYS  42           HB3      LYS  42 -12.649  -2.024  -3.796
   98    HG2  LYS  42           HG2      LYS  42 -11.061  -0.701  -4.760
   99    HG3  LYS  42           HG3      LYS  42 -10.369  -0.838  -3.131
  100    HD2  LYS  42           HD2      LYS  42  -8.948  -2.674  -3.893
  101    HD3  LYS  42           HD3      LYS  42  -9.639  -2.554  -5.511
  102    HE2  LYS  42           HE2      LYS  42  -8.774  -0.272  -5.708
  103    HE3  LYS  42           HE3      LYS  42  -8.089  -0.394  -4.089
  104    HZ1  LYS  42           HZ1      LYS  42  -6.711  -2.253  -4.891
  105    HZ2  LYS  42           HZ2      LYS  42  -6.393  -0.804  -5.720
  106    HZ3  LYS  42           HZ3      LYS  42  -7.322  -2.015  -6.456
  107    H    GLU  43           HN       GLU  43 -13.804  -3.161  -1.058
  108    HA   GLU  43           HA       GLU  43 -14.105  -0.353  -0.796
  109    HB2  GLU  43           HB2      GLU  43 -15.984  -1.962  -1.069
  110    HB3  GLU  43           HB3      GLU  43 -15.697  -2.510   0.576
  111    HG2  GLU  43           HG2      GLU  43 -17.552  -0.938   0.453
  112    HG3  GLU  43           HG3      GLU  43 -16.229  -0.316   1.438
  113    H    MET  44           HN       MET  44 -13.072  -2.889   1.444
  114    HA   MET  44           HA       MET  44 -13.034  -1.397   3.800
  115    HB2  MET  44           HB2      MET  44 -11.157  -3.561   2.841
  116    HB3  MET  44           HB3      MET  44 -11.163  -2.932   4.490
  117    HG2  MET  44           HG2      MET  44 -13.411  -3.709   4.820
  118    HG3  MET  44           HG3      MET  44 -13.531  -4.200   3.133
  119    HE1  MET  44           HE1      MET  44 -14.257  -6.575   3.500
  120    HE2  MET  44           HE2      MET  44 -13.585  -7.658   4.721
  121    HE3  MET  44           HE3      MET  44 -14.422  -6.185   5.213
  122    H    MET  45           HN       MET  45 -10.399  -1.876   1.455
  123    HA   MET  45           HA       MET  45  -8.700   0.058   2.629
  124    HB2  MET  45           HB2      MET  45  -7.303  -0.233   0.738
  125    HB3  MET  45           HB3      MET  45  -7.995  -1.809   1.102
  126    HG2  MET  45           HG2      MET  45  -9.791  -1.061  -0.656
  127    HG3  MET  45           HG3      MET  45  -8.508   0.019  -1.189
  128    HE1  MET  45           HE1      MET  45  -6.062  -0.865  -1.685
  129    HE2  MET  45           HE2      MET  45  -6.035  -1.954  -0.302
  130    HE3  MET  45           HE3      MET  45  -5.652  -2.567  -1.911
  131    H    SER  46           HN       SER  46 -11.173   0.249   0.137
  132    HA   SER  46           HA       SER  46 -10.582   2.754  -0.882
  133    HB2  SER  46           HB2      SER  46 -12.314   1.195  -1.752
  134    HB3  SER  46           HB3      SER  46 -13.345   1.632  -0.390
  135    HG   SER  46           HG       SER  46 -13.676   3.586  -1.227
  136    H    GLN  47           HN       GLN  47 -12.702   1.951   1.886
  137    HA   GLN  47           HA       GLN  47 -12.895   4.696   2.632
  138    HB2  GLN  47           HB2      GLN  47 -13.952   3.810   4.733
  139    HB3  GLN  47           HB3      GLN  47 -14.735   3.304   3.245
  140    HG2  GLN  47           HG2      GLN  47 -13.672   1.126   3.404
  141    HG3  GLN  47           HG3      GLN  47 -12.827   1.633   4.864
  142   HE21  GLN  47          HE21      GLN  47 -14.719  -0.552   4.423
  143   HE22  GLN  47          HE22      GLN  47 -16.003  -0.312   5.558
  144    H    ALA  48           HN       ALA  48 -11.045   1.930   3.945
  145    HA   ALA  48           HA       ALA  48  -9.943   3.494   6.061
  146    HB1  ALA  48           HB1      ALA  48  -9.055   0.799   5.059
  147    HB2  ALA  48           HB2      ALA  48  -8.656   1.530   6.615
  148    HB3  ALA  48           HB3      ALA  48 -10.324   1.080   6.254
  149    H    LEU  49           HN       LEU  49  -8.437   2.154   3.056
  150    HA   LEU  49           HA       LEU  49  -5.837   3.044   3.821
  151    HB2  LEU  49           HB2      LEU  49  -7.058   1.661   1.517
  152    HB3  LEU  49           HB3      LEU  49  -5.722   2.722   1.109
  153    HG   LEU  49           HG       LEU  49  -5.660   0.315   2.902
  154   HD11  LEU  49          HD11      LEU  49  -4.230   1.082   0.367
  155   HD12  LEU  49          HD12      LEU  49  -4.005  -0.421   1.258
  156   HD13  LEU  49          HD13      LEU  49  -5.557  -0.066   0.500
  157   HD21  LEU  49          HD21      LEU  49  -3.271   0.812   3.255
  158   HD22  LEU  49          HD22      LEU  49  -3.488   2.362   2.448
  159   HD23  LEU  49          HD23      LEU  49  -4.313   2.043   3.971
  160    H    LYS  50           HN       LYS  50  -8.140   4.047   1.347
  161    HA   LYS  50           HA       LYS  50  -6.511   6.024   0.250
  162    HB2  LYS  50           HB2      LYS  50  -9.523   6.090   0.192
  163    HB3  LYS  50           HB3      LYS  50  -8.395   6.655  -1.035
  164    HG2  LYS  50           HG2      LYS  50  -8.851   3.783  -0.250
  165    HG3  LYS  50           HG3      LYS  50  -9.475   4.570  -1.698
  166    HD2  LYS  50           HD2      LYS  50  -6.545   4.200  -1.031
  167    HD3  LYS  50           HD3      LYS  50  -7.466   3.199  -2.153
  168    HE2  LYS  50           HE2      LYS  50  -6.986   6.165  -2.424
  169    HE3  LYS  50           HE3      LYS  50  -6.127   4.905  -3.305
  170    HZ1  LYS  50           HZ1      LYS  50  -8.344   4.220  -4.200
  171    HZ2  LYS  50           HZ2      LYS  50  -7.801   5.735  -4.724
  172    HZ3  LYS  50           HZ3      LYS  50  -8.997   5.635  -3.528
  173    H    ALA  51           HN       ALA  51  -8.616   6.072   3.000
  174    HA   ALA  51           HA       ALA  51  -8.442   8.925   3.409
  175    HB1  ALA  51           HB1      ALA  51 -10.366   7.680   4.249
  176    HB2  ALA  51           HB2      ALA  51  -9.306   6.756   5.314
  177    HB3  ALA  51           HB3      ALA  51  -9.504   8.492   5.556
  178    H    THR  52           HN       THR  52  -6.760   6.038   4.602
  179    HA   THR  52           HA       THR  52  -5.576   7.411   6.826
  180    HB   THR  52           HB       THR  52  -6.174   4.983   6.881
  181    HG1  THR  52           HG1      THR  52  -4.541   4.584   8.264
  182   HG21  THR  52          HG21      THR  52  -4.632   3.367   5.882
  183   HG22  THR  52          HG22      THR  52  -3.710   4.682   5.153
  184   HG23  THR  52          HG23      THR  52  -5.366   4.373   4.631
  185    H    PHE  53           HN       PHE  53  -4.733   7.388   3.603
  186    HA   PHE  53           HA       PHE  53  -2.064   6.658   3.599
  187    HB2  PHE  53           HB2      PHE  53  -3.510   8.622   1.835
  188    HB3  PHE  53           HB3      PHE  53  -1.843   8.128   1.556
  189    HD1  PHE  53           HD2      PHE  53  -2.025   5.261   2.286
  190    HD2  PHE  53           HD1      PHE  53  -4.625   7.733   0.009
  191    HE1  PHE  53           HE2      PHE  53  -2.812   3.286   1.055
  192    HE2  PHE  53           HE1      PHE  53  -5.419   5.760  -1.219
  193    HZ   PHE  53           HZ       PHE  53  -4.514   3.534  -0.702
  194    H    SER  54           HN       SER  54  -3.474   9.578   4.754
  195    HA   SER  54           HA       SER  54  -1.287  11.310   4.637
  196    HB2  SER  54           HB2      SER  54  -2.465  12.356   6.675
  197    HB3  SER  54           HB3      SER  54  -3.372  12.257   5.166
  198    HG   SER  54           HG       SER  54  -4.763  11.042   6.144
  199    H    GLY  55           HN       GLY  55  -2.008   8.647   6.767
  200    HA2  GLY  55           HA1      GLY  55  -0.473   9.246   8.997
  201    HA3  GLY  55           HA2      GLY  55  -0.807   7.626   8.414
  202    H    PHE  56           HN       PHE  56   0.619   7.076   6.366
  203    HA   PHE  56           HA       PHE  56   3.287   7.110   7.402
  204    HB2  PHE  56           HB2      PHE  56   2.522   5.119   6.222
  205    HB3  PHE  56           HB3      PHE  56   2.274   6.060   4.751
  206    HD1  PHE  56           HD1      PHE  56   4.826   4.772   7.079
  207    HD2  PHE  56           HD2      PHE  56   4.069   6.561   3.292
  208    HE1  PHE  56           HE1      PHE  56   7.130   4.273   6.387
  209    HE2  PHE  56           HE2      PHE  56   6.378   6.074   2.598
  210    HZ   PHE  56           HZ       PHE  56   7.961   5.098   4.203
  211    H    THR  57           HN       THR  57   1.663   8.592   4.692
  212    HA   THR  57           HA       THR  57   3.918   9.595   3.342
  213    HB   THR  57           HB       THR  57   1.158  10.799   3.443
  214    HG1  THR  57           HG1      THR  57   1.224   9.440   1.302
  215   HG21  THR  57          HG21      THR  57   3.318  10.968   1.333
  216   HG22  THR  57          HG22      THR  57   2.812  12.273   2.406
  217   HG23  THR  57          HG23      THR  57   1.694  11.643   1.197
  218    H    LYS  58           HN       LYS  58   2.346  10.617   6.215
  219    HA   LYS  58           HA       LYS  58   3.322  13.347   6.146
  220    HB2  LYS  58           HB2      LYS  58   1.202  12.795   7.307
  221    HB3  LYS  58           HB3      LYS  58   2.106  11.820   8.457
  222    HG2  LYS  58           HG2      LYS  58   3.327  13.821   9.179
  223    HG3  LYS  58           HG3      LYS  58   2.385  14.787   8.042
  224    HD2  LYS  58           HD2      LYS  58   0.334  14.189   9.216
  225    HD3  LYS  58           HD3      LYS  58   1.256  13.187  10.338
  226    HE2  LYS  58           HE2      LYS  58   2.488  15.172  11.084
  227    HE3  LYS  58           HE3      LYS  58   1.542  16.170   9.978
  228    HZ1  LYS  58           HZ1      LYS  58   0.679  16.264  12.237
  229    HZ2  LYS  58           HZ2      LYS  58   0.443  14.584  12.242
  230    HZ3  LYS  58           HZ3      LYS  58  -0.456  15.563  11.189
  231    H    GLU  59           HN       GLU  59   4.115  10.316   7.808
  232    HA   GLU  59           HA       GLU  59   6.313  11.591   9.215
  233    HB2  GLU  59           HB2      GLU  59   6.120   9.908  10.672
  234    HB3  GLU  59           HB3      GLU  59   4.730   9.344   9.752
  235    HG2  GLU  59           HG2      GLU  59   5.973   7.755   8.615
  236    HG3  GLU  59           HG3      GLU  59   7.512   8.548   8.994
  237    H    GLN  60           HN       GLN  60   5.712   9.799   6.365
  238    HA   GLN  60           HA       GLN  60   8.170   8.808   5.600
  239    HB2  GLN  60           HB2      GLN  60   6.048   8.623   4.322
  240    HB3  GLN  60           HB3      GLN  60   6.170  10.320   3.900
  241    HG2  GLN  60           HG2      GLN  60   8.258   9.825   2.695
  242    HG3  GLN  60           HG3      GLN  60   8.015   8.109   3.051
  243   HE21  GLN  60          HE21      GLN  60   7.783   7.549   0.902
  244   HE22  GLN  60          HE22      GLN  60   6.395   7.966  -0.026
  245    H    GLN  61           HN       GLN  61   6.856  12.047   5.178
  246    HA   GLN  61           HA       GLN  61   9.150  13.265   4.079
  247    HB2  GLN  61           HB2      GLN  61   6.975  14.476   5.789
  248    HB3  GLN  61           HB3      GLN  61   8.111  15.385   4.794
  249    HG2  GLN  61           HG2      GLN  61   5.916  13.546   3.880
  250    HG3  GLN  61           HG3      GLN  61   6.059  15.281   3.613
  251   HE21  GLN  61          HE21      GLN  61   7.033  12.136   2.589
  252   HE22  GLN  61          HE22      GLN  61   7.859  12.623   1.154
  253    H    ARG  62           HN       ARG  62   8.089  12.717   7.363
  254    HA   ARG  62           HA       ARG  62   9.986  14.354   8.674
  255    HB2  ARG  62           HB2      ARG  62   7.870  13.576   9.684
  256    HB3  ARG  62           HB3      ARG  62   8.496  11.934   9.691
  257    HG2  ARG  62           HG2      ARG  62   8.773  12.690  11.878
  258    HG3  ARG  62           HG3      ARG  62  10.376  12.812  11.153
  259    HD2  ARG  62           HD2      ARG  62   8.426  15.095  11.443
  260    HD3  ARG  62           HD3      ARG  62   9.766  14.774  12.540
  261    HE   ARG  62           HE       ARG  62  10.136  15.436   9.684
  262   HH11  ARG  62          HH12      ARG  62  11.042  15.721  13.053
  263   HH12  ARG  62          HH11      ARG  62  12.345  16.829  12.742
  264   HH21  ARG  62          HH22      ARG  62  11.849  16.872   9.257
  265   HH22  ARG  62          HH21      ARG  62  12.788  17.515  10.576
  266    H    LEU  63           HN       LEU  63   9.878  10.895   7.959
  267    HA   LEU  63           HA       LEU  63  12.430  10.322   9.089
  268    HB2  LEU  63           HB2      LEU  63  10.694   8.741   7.223
  269    HB3  LEU  63           HB3      LEU  63  12.138   8.119   7.997
  270    HG   LEU  63           HG       LEU  63   9.650   9.054   9.434
  271   HD11  LEU  63          HD11      LEU  63   9.317   6.684   9.938
  272   HD12  LEU  63          HD12      LEU  63   9.256   7.003   8.203
  273   HD13  LEU  63          HD13      LEU  63  10.698   6.276   8.915
  274   HD21  LEU  63          HD21      LEU  63  12.146   7.714  10.475
  275   HD22  LEU  63          HD22      LEU  63  11.667   9.388  10.763
  276   HD23  LEU  63          HD23      LEU  63  10.696   8.068  11.416
  277    H    GLY  64           HN       GLY  64  11.781  12.130   6.538
  278    HA2  GLY  64           HA1      GLY  64  13.031  12.822   4.740
  279    HA3  GLY  64           HA2      GLY  64  14.370  11.896   5.411
  280    H    ILE  65           HN       ILE  65  11.378  10.304   4.839
  281    HA   ILE  65           HA       ILE  65  12.656   8.585   2.945
  282    HB   ILE  65           HB       ILE  65   9.823   8.543   3.993
  283   HG12  ILE  65          HG12      ILE  65  12.282   6.922   4.677
  284   HG13  ILE  65          HG13      ILE  65  11.413   8.027   5.734
  285   HG21  ILE  65          HG21      ILE  65   9.956   7.533   1.770
  286   HG22  ILE  65          HG22      ILE  65  11.278   6.497   2.309
  287   HG23  ILE  65          HG23      ILE  65   9.668   6.307   3.003
  288   HD11  ILE  65          HD11      ILE  65   9.466   6.526   5.657
  289   HD12  ILE  65          HD12      ILE  65  10.395   5.408   4.653
  290   HD13  ILE  65          HD13      ILE  65  10.906   5.744   6.310
  291    HA   PRO  66           HA       PRO  66  11.406  10.971  -0.658
  292    HB2  PRO  66           HB2      PRO  66  11.491   8.256  -1.867
  293    HB3  PRO  66           HB3      PRO  66  12.260   9.748  -2.409
  294    HG2  PRO  66           HG2      PRO  66  13.676   7.811  -1.250
  295    HG3  PRO  66           HG3      PRO  66  14.033   9.523  -0.945
  296    HD2  PRO  66           HD2      PRO  66  12.674   7.524   0.792
  297    HD3  PRO  66           HD3      PRO  66  13.720   8.888   1.239
  298    H    LYS  67           HN       LYS  67   9.372  11.446  -1.377
  299    HA   LYS  67           HA       LYS  67   7.149  10.036  -0.339
  300    HB2  LYS  67           HB2      LYS  67   5.849  11.593  -1.923
  301    HB3  LYS  67           HB3      LYS  67   6.800  12.322  -0.638
  302    HG2  LYS  67           HG2      LYS  67   8.480  13.014  -2.137
  303    HG3  LYS  67           HG3      LYS  67   7.851  11.992  -3.430
  304    HD2  LYS  67           HD2      LYS  67   6.143  14.143  -2.255
  305    HD3  LYS  67           HD3      LYS  67   7.380  14.553  -3.442
  306    HE2  LYS  67           HE2      LYS  67   5.157  12.553  -3.837
  307    HE3  LYS  67           HE3      LYS  67   5.192  14.192  -4.486
  308    HZ1  LYS  67           HZ1      LYS  67   6.002  13.030  -6.250
  309    HZ2  LYS  67           HZ2      LYS  67   6.722  11.828  -5.311
  310    HZ3  LYS  67           HZ3      LYS  67   7.466  13.348  -5.460
  311    H    ASP  68           HN       ASP  68   8.992   9.399  -3.078
  312    HA   ASP  68           HA       ASP  68   6.759   8.034  -4.443
  313    HB2  ASP  68           HB2      ASP  68   9.505   8.648  -5.563
  314    HB3  ASP  68           HB3      ASP  68   8.117   8.034  -6.454
  315    HA   PRO  69           HA       PRO  69   8.703   4.159  -3.509
  316    HB2  PRO  69           HB2      PRO  69   7.970   2.900  -5.971
  317    HB3  PRO  69           HB3      PRO  69   7.177   2.773  -4.402
  318    HG2  PRO  69           HG2      PRO  69   6.103   3.986  -6.642
  319    HG3  PRO  69           HG3      PRO  69   5.569   4.260  -4.976
  320    HD2  PRO  69           HD2      PRO  69   7.308   5.947  -6.712
  321    HD3  PRO  69           HD3      PRO  69   6.151   6.431  -5.454
  322    H    ARG  70           HN       ARG  70   9.306   5.423  -6.728
  323    HA   ARG  70           HA       ARG  70  10.854   3.418  -7.804
  324    HB2  ARG  70           HB2      ARG  70  11.138   6.357  -8.414
  325    HB3  ARG  70           HB3      ARG  70  11.646   5.031  -9.443
  326    HG2  ARG  70           HG2      ARG  70   9.688   5.586 -10.446
  327    HG3  ARG  70           HG3      ARG  70   9.096   4.386  -9.296
  328    HD2  ARG  70           HD2      ARG  70   8.312   6.064  -7.816
  329    HD3  ARG  70           HD3      ARG  70   9.163   7.337  -8.693
  330    HE   ARG  70           HE       ARG  70   7.056   5.848 -10.089
  331   HH11  ARG  70          HH12      ARG  70   8.126   8.827  -8.569
  332   HH12  ARG  70          HH11      ARG  70   6.885   9.788  -9.298
  333   HH21  ARG  70          HH22      ARG  70   5.436   7.117 -11.043
  334   HH22  ARG  70          HH21      ARG  70   5.364   8.822 -10.713
  335    H    GLN  71           HN       GLN  71  11.892   5.395  -5.269
  336    HA   GLN  71           HA       GLN  71  14.707   4.872  -5.927
  337    HB2  GLN  71           HB2      GLN  71  15.379   7.100  -5.434
  338    HB3  GLN  71           HB3      GLN  71  14.000   7.237  -6.518
  339    HG2  GLN  71           HG2      GLN  71  13.977   7.585  -3.530
  340    HG3  GLN  71           HG3      GLN  71  13.835   8.860  -4.736
  341   HE21  GLN  71          HE21      GLN  71  12.248   6.069  -3.305
  342   HE22  GLN  71          HE22      GLN  71  10.637   6.518  -3.754
  343    H    TRP  72           HN       TRP  72  12.580   3.910  -3.872
  344    HA   TRP  72           HA       TRP  72  13.626   4.701  -1.357
  345    HB2  TRP  72           HB2      TRP  72  11.663   2.675  -2.377
  346    HB3  TRP  72           HB3      TRP  72  12.259   2.514  -0.726
  347    HD1  TRP  72           HD1      TRP  72  12.209   6.023  -0.892
  348    HE1  TRP  72           HE1      TRP  72   9.947   7.023  -0.183
  349    HE3  TRP  72           HE3      TRP  72   9.328   1.840  -1.244
  350    HZ2  TRP  72           HZ2      TRP  72   7.283   6.138   0.188
  351    HZ3  TRP  72           HZ3      TRP  72   6.943   1.997  -0.692
  352    HH2  TRP  72           HH2      TRP  72   5.946   4.095   0.003
  353    H    THR  73           HN       THR  73  14.729   3.337   0.164
  354    HA   THR  73           HA       THR  73  16.352   1.229  -0.966
  355    HB   THR  73           HB       THR  73  17.284   1.099   1.339
  356    HG1  THR  73           HG1      THR  73  16.542   2.841   2.793
  357   HG21  THR  73          HG21      THR  73  18.241   2.693  -0.295
  358   HG22  THR  73          HG22      THR  73  18.375   3.275   1.364
  359   HG23  THR  73          HG23      THR  73  17.135   3.935   0.298
  360    H    GLU  74           HN       GLU  74  16.369  -0.915   0.301
  361    HA   GLU  74           HA       GLU  74  13.849  -2.083   0.441
  362    HB2  GLU  74           HB2      GLU  74  16.288  -2.931   2.015
  363    HB3  GLU  74           HB3      GLU  74  14.899  -3.935   1.630
  364    HG2  GLU  74           HG2      GLU  74  16.460  -4.628   0.087
  365    HG3  GLU  74           HG3      GLU  74  15.526  -3.448  -0.829
  366    H    THR  75           HN       THR  75  15.505  -0.110   2.716
  367    HA   THR  75           HA       THR  75  14.018  -0.863   5.041
  368    HB   THR  75           HB       THR  75  15.401   1.785   4.652
  369    HG1  THR  75           HG1      THR  75  16.503  -0.796   4.787
  370   HG21  THR  75          HG21      THR  75  14.152   1.435   6.736
  371   HG22  THR  75          HG22      THR  75  15.889   1.529   7.041
  372   HG23  THR  75          HG23      THR  75  15.074  -0.037   7.043
  373    H    HIS  76           HN       HIS  76  13.793   1.678   2.581
  374    HA   HIS  76           HA       HIS  76  11.763   3.148   3.979
  375    HB2  HIS  76           HB2      HIS  76  12.858   3.351   1.169
  376    HB3  HIS  76           HB3      HIS  76  11.578   4.398   1.773
  377    HD1  HIS  76           HD1      HIS  76  14.619   5.208   0.922
  378    HD2  HIS  76           HD2      HIS  76  13.005   4.948   4.741
  379    HE1  HIS  76           HE1      HIS  76  16.065   6.658   2.357
  380    HE2  HIS  76           HE2      HIS  76  15.237   6.260   4.713
  381    H    VAL  77           HN       VAL  77  11.856   0.815   1.347
  382    HA   VAL  77           HA       VAL  77   9.164   0.942   0.617
  383    HB   VAL  77           HB       VAL  77  11.221  -1.249   0.355
  384   HG11  VAL  77          HG11      VAL  77   9.670  -2.373  -1.171
  385   HG12  VAL  77          HG12      VAL  77   9.027  -2.292   0.468
  386   HG13  VAL  77          HG13      VAL  77   8.425  -1.191  -0.773
  387   HG21  VAL  77          HG21      VAL  77  11.620   0.760  -0.995
  388   HG22  VAL  77          HG22      VAL  77  11.195  -0.611  -2.022
  389   HG23  VAL  77          HG23      VAL  77   9.997   0.640  -1.674
  390    H    ARG  78           HN       ARG  78  10.914  -1.234   2.845
  391    HA   ARG  78           HA       ARG  78   8.664  -2.728   3.620
  392    HB2  ARG  78           HB2      ARG  78  11.324  -2.240   4.905
  393    HB3  ARG  78           HB3      ARG  78  10.094  -3.228   5.686
  394    HG2  ARG  78           HG2      ARG  78  10.047  -4.675   3.671
  395    HG3  ARG  78           HG3      ARG  78  11.384  -3.729   3.011
  396    HD2  ARG  78           HD2      ARG  78  11.442  -5.233   5.623
  397    HD3  ARG  78           HD3      ARG  78  12.128  -5.811   4.104
  398    HE   ARG  78           HE       ARG  78  13.613  -3.823   4.207
  399   HH11  ARG  78          HH12      ARG  78  12.114  -4.967   7.145
  400   HH12  ARG  78          HH11      ARG  78  13.394  -4.411   8.179
  401   HH21  ARG  78          HH22      ARG  78  15.331  -3.108   5.549
  402   HH22  ARG  78          HH21      ARG  78  15.239  -3.379   7.266
  403    H    ASP  79           HN       ASP  79   9.965   0.283   4.846
  404    HA   ASP  79           HA       ASP  79   8.522   0.516   7.223
  405    HB2  ASP  79           HB2      ASP  79   9.941   2.292   5.388
  406    HB3  ASP  79           HB3      ASP  79   8.580   3.087   6.180
  407    H    TRP  80           HN       TRP  80   7.713   1.512   3.925
  408    HA   TRP  80           HA       TRP  80   5.118   2.493   4.620
  409    HB2  TRP  80           HB2      TRP  80   5.985   3.548   2.766
  410    HB3  TRP  80           HB3      TRP  80   6.792   2.095   2.190
  411    HD1  TRP  80           HD1      TRP  80   3.449   3.930   2.000
  412    HE1  TRP  80           HE1      TRP  80   2.131   2.917   0.034
  413    HE3  TRP  80           HE3      TRP  80   6.464  -0.039   0.934
  414    HZ2  TRP  80           HZ2      TRP  80   2.339   0.736  -1.748
  415    HZ3  TRP  80           HZ3      TRP  80   5.842  -1.548  -0.897
  416    HH2  TRP  80           HH2      TRP  80   3.819  -1.174  -2.202
  417    H    VAL  81           HN       VAL  81   6.557  -0.457   3.611
  418    HA   VAL  81           HA       VAL  81   4.332  -1.850   2.613
  419    HB   VAL  81           HB       VAL  81   7.072  -2.515   3.557
  420   HG11  VAL  81          HG11      VAL  81   6.749  -4.908   3.417
  421   HG12  VAL  81          HG12      VAL  81   5.794  -4.219   4.731
  422   HG13  VAL  81          HG13      VAL  81   5.010  -4.678   3.218
  423   HG21  VAL  81          HG21      VAL  81   7.165  -3.670   1.393
  424   HG22  VAL  81          HG22      VAL  81   5.470  -3.269   1.123
  425   HG23  VAL  81          HG23      VAL  81   6.673  -1.984   1.238
  426    H    MET  82           HN       MET  82   5.932  -2.059   5.774
  427    HA   MET  82           HA       MET  82   3.791  -3.560   6.877
  428    HB2  MET  82           HB2      MET  82   4.914  -3.382   9.003
  429    HB3  MET  82           HB3      MET  82   6.037  -3.810   7.726
  430    HG2  MET  82           HG2      MET  82   6.733  -1.426   7.618
  431    HG3  MET  82           HG3      MET  82   5.727  -1.126   9.035
  432    HE1  MET  82           HE1      MET  82   6.244  -4.043  10.494
  433    HE2  MET  82           HE2      MET  82   7.489  -3.553  11.645
  434    HE3  MET  82           HE3      MET  82   6.094  -2.511  11.357
  435    H    TRP  83           HN       TRP  83   4.087  -0.156   6.369
  436    HA   TRP  83           HA       TRP  83   2.565   0.607   8.664
  437    HB2  TRP  83           HB2      TRP  83   3.860   2.317   7.521
  438    HB3  TRP  83           HB3      TRP  83   2.987   2.039   6.017
  439    HD1  TRP  83           HD1      TRP  83   2.497   3.602   9.501
  440    HE1  TRP  83           HE1      TRP  83   0.503   5.233   9.372
  441    HE3  TRP  83           HE3      TRP  83   0.918   2.562   4.760
  442    HZ2  TRP  83           HZ2      TRP  83  -1.468   5.976   7.489
  443    HZ3  TRP  83           HZ3      TRP  83  -1.022   3.773   3.868
  444    HH2  TRP  83           HH2      TRP  83  -2.188   5.443   5.202
  445    H    ALA  84           HN       ALA  84   1.518   0.362   5.229
  446    HA   ALA  84           HA       ALA  84  -1.211   0.692   5.806
  447    HB1  ALA  84           HB1      ALA  84  -0.016  -0.924   3.547
  448    HB2  ALA  84           HB2      ALA  84  -1.657  -0.282   3.621
  449    HB3  ALA  84           HB3      ALA  84  -0.281   0.820   3.521
  450    H    VAL  85           HN       VAL  85   0.846  -2.117   5.622
  451    HA   VAL  85           HA       VAL  85  -0.920  -4.153   6.215
  452    HB   VAL  85           HB       VAL  85   2.005  -3.698   6.607
  453   HG11  VAL  85          HG11      VAL  85   1.406  -4.910   8.644
  454   HG12  VAL  85          HG12      VAL  85   0.587  -6.134   7.682
  455   HG13  VAL  85          HG13      VAL  85   2.330  -5.932   7.542
  456   HG21  VAL  85          HG21      VAL  85   0.381  -5.755   5.136
  457   HG22  VAL  85          HG22      VAL  85   1.191  -4.351   4.442
  458   HG23  VAL  85          HG23      VAL  85   2.143  -5.661   5.140
  459    H    ASN  86           HN       ASN  86   0.951  -2.171   8.584
  460    HA   ASN  86           HA       ASN  86  -0.048  -3.742  10.698
  461    HB2  ASN  86           HB2      ASN  86   1.356  -2.667  12.111
  462    HB3  ASN  86           HB3      ASN  86   2.144  -2.369  10.573
  463   HD21  ASN  86          HD21      ASN  86   0.306  -0.300   9.734
  464   HD22  ASN  86          HD22      ASN  86   0.658   1.090  10.729
  465    H    GLU  87           HN       GLU  87  -1.398  -0.897   9.214
  466    HA   GLU  87           HA       GLU  87  -3.013  -0.275  11.542
  467    HB2  GLU  87           HB2      GLU  87  -2.448   1.502   9.863
  468    HB3  GLU  87           HB3      GLU  87  -3.459   0.654   8.693
  469    HG2  GLU  87           HG2      GLU  87  -5.299   0.830  10.481
  470    HG3  GLU  87           HG3      GLU  87  -4.268   2.055  11.210
  471    H    PHE  88           HN       PHE  88  -3.298  -1.884   8.453
  472    HA   PHE  88           HA       PHE  88  -5.999  -2.751   8.776
  473    HB2  PHE  88           HB2      PHE  88  -3.738  -3.300   6.925
  474    HB3  PHE  88           HB3      PHE  88  -5.004  -4.526   7.036
  475    HD1  PHE  88           HD1      PHE  88  -7.397  -3.835   6.648
  476    HD2  PHE  88           HD2      PHE  88  -4.082  -1.360   5.659
  477    HE1  PHE  88           HE1      PHE  88  -8.829  -2.535   5.128
  478    HE2  PHE  88           HE2      PHE  88  -5.510  -0.057   4.138
  479    HZ   PHE  88           HZ       PHE  88  -7.885  -0.640   3.872
  480    H    SER  89           HN       SER  89  -3.372  -3.464  10.542
  481    HA   SER  89           HA       SER  89  -2.512  -5.153  11.742
  482    HB2  SER  89           HB2      SER  89  -4.182  -6.537  12.981
  483    HB3  SER  89           HB3      SER  89  -4.496  -4.807  13.062
  484    HG   SER  89           HG       SER  89  -5.791  -5.746  10.955
  485    H    LEU  90           HN       LEU  90  -2.246  -5.639   9.063
  486    HA   LEU  90           HA       LEU  90  -3.134  -8.276   8.366
  487    HB2  LEU  90           HB2      LEU  90  -0.815  -6.737   7.176
  488    HB3  LEU  90           HB3      LEU  90  -1.785  -7.977   6.399
  489    HG   LEU  90           HG       LEU  90  -2.744  -5.208   7.182
  490   HD11  LEU  90          HD11      LEU  90  -2.881  -4.836   4.769
  491   HD12  LEU  90          HD12      LEU  90  -1.227  -5.175   5.287
  492   HD13  LEU  90          HD13      LEU  90  -2.173  -6.426   4.479
  493   HD21  LEU  90          HD21      LEU  90  -4.789  -5.822   5.971
  494   HD22  LEU  90          HD22      LEU  90  -4.156  -7.449   5.703
  495   HD23  LEU  90          HD23      LEU  90  -4.517  -6.901   7.342
  496    H    LYS  91           HN       LYS  91  -0.100  -6.774   9.285
  497    HA   LYS  91           HA       LYS  91   1.757  -7.507  10.354
  498    HB2  LYS  91           HB2      LYS  91  -0.352  -8.812  12.071
  499    HB3  LYS  91           HB3      LYS  91   1.258  -8.314  12.580
  500    HG2  LYS  91           HG2      LYS  91   0.674  -5.978  12.098
  501    HG3  LYS  91           HG3      LYS  91  -0.948  -6.490  11.633
  502    HD2  LYS  91           HD2      LYS  91  -1.088  -5.695  13.866
  503    HD3  LYS  91           HD3      LYS  91  -1.181  -7.454  13.950
  504    HE2  LYS  91           HE2      LYS  91   1.156  -7.580  14.566
  505    HE3  LYS  91           HE3      LYS  91   1.321  -5.835  14.380
  506    HZ1  LYS  91           HZ1      LYS  91  -0.070  -5.457  16.238
  507    HZ2  LYS  91           HZ2      LYS  91   1.047  -6.639  16.716
  508    HZ3  LYS  91           HZ3      LYS  91  -0.537  -7.085  16.328
  509    H    GLY  92           HN       GLY  92   1.002  -9.412   8.198
  510    HA2  GLY  92           HA1      GLY  92   2.642 -11.597   9.226
  511    HA3  GLY  92           HA2      GLY  92   1.123 -11.971   8.411
  512    H    VAL  93           HN       VAL  93   3.507  -9.479   7.781
  513    HA   VAL  93           HA       VAL  93   3.565 -10.212   4.971
  514    HB   VAL  93           HB       VAL  93   3.838  -7.734   6.463
  515   HG11  VAL  93          HG11      VAL  93   5.541  -6.671   5.100
  516   HG12  VAL  93          HG12      VAL  93   6.239  -8.006   6.019
  517   HG13  VAL  93          HG13      VAL  93   5.886  -8.206   4.300
  518   HG21  VAL  93          HG21      VAL  93   3.559  -8.306   3.526
  519   HG22  VAL  93          HG22      VAL  93   2.219  -8.226   4.679
  520   HG23  VAL  93          HG23      VAL  93   3.186  -6.787   4.343
  521    H    ASP  94           HN       ASP  94   5.256 -11.200   4.045
  522    HA   ASP  94           HA       ASP  94   7.487 -11.936   5.728
  523    HB2  ASP  94           HB2      ASP  94   6.511 -13.567   4.119
  524    HB3  ASP  94           HB3      ASP  94   7.028 -12.529   2.793
  525    H    PHE  95           HN       PHE  95   8.671 -10.182   6.140
  526    HA   PHE  95           HA       PHE  95   9.007  -7.989   4.463
  527    HB2  PHE  95           HB2      PHE  95  10.826  -8.952   6.681
  528    HB3  PHE  95           HB3      PHE  95  10.870  -7.348   5.961
  529    HD1  PHE  95           HD1      PHE  95   9.067  -5.755   6.366
  530    HD2  PHE  95           HD2      PHE  95   9.131  -9.565   8.256
  531    HE1  PHE  95           HE1      PHE  95   7.404  -4.972   7.995
  532    HE2  PHE  95           HE2      PHE  95   7.457  -8.790   9.885
  533    HZ   PHE  95           HZ       PHE  95   6.591  -6.488   9.754
  534    H    GLN  96           HN       GLN  96  10.494 -11.053   4.375
  535    HA   GLN  96           HA       GLN  96  12.879 -10.213   2.996
  536    HB2  GLN  96           HB2      GLN  96  11.683 -12.922   3.534
  537    HB3  GLN  96           HB3      GLN  96  13.149 -12.701   2.590
  538    HG2  GLN  96           HG2      GLN  96  12.718 -11.957   5.474
  539    HG3  GLN  96           HG3      GLN  96  13.759 -13.234   4.841
  540   HE21  GLN  96          HE21      GLN  96  13.362  -9.816   5.292
  541   HE22  GLN  96          HE22      GLN  96  14.983  -9.364   4.900
  542    H    LYS  97           HN       LYS  97   9.701 -11.381   2.091
  543    HA   LYS  97           HA       LYS  97  10.447 -11.563  -0.704
  544    HB2  LYS  97           HB2      LYS  97   8.473 -12.791   0.667
  545    HB3  LYS  97           HB3      LYS  97   7.579 -11.386   0.102
  546    HG2  LYS  97           HG2      LYS  97   9.110 -13.242  -1.709
  547    HG3  LYS  97           HG3      LYS  97   7.388 -13.395  -1.356
  548    HD2  LYS  97           HD2      LYS  97   6.970 -11.207  -2.306
  549    HD3  LYS  97           HD3      LYS  97   8.696 -10.966  -2.573
  550    HE2  LYS  97           HE2      LYS  97   7.064 -13.162  -3.836
  551    HE3  LYS  97           HE3      LYS  97   7.422 -11.619  -4.609
  552    HZ1  LYS  97           HZ1      LYS  97   9.810 -12.162  -4.374
  553    HZ2  LYS  97           HZ2      LYS  97   8.970 -13.246  -5.369
  554    HZ3  LYS  97           HZ3      LYS  97   9.380 -13.699  -3.791
  555    H    PHE  98           HN       PHE  98   9.318  -9.338   1.604
  556    HA   PHE  98           HA       PHE  98   8.509  -7.330  -0.321
  557    HB2  PHE  98           HB2      PHE  98   8.466  -7.576   2.650
  558    HB3  PHE  98           HB3      PHE  98   8.427  -5.968   1.931
  559    HD1  PHE  98           HD1      PHE  98   6.579  -5.232   0.636
  560    HD2  PHE  98           HD2      PHE  98   6.599  -9.111   2.373
  561    HE1  PHE  98           HE1      PHE  98   4.176  -5.417   0.219
  562    HE2  PHE  98           HE2      PHE  98   4.187  -9.311   1.951
  563    HZ   PHE  98           HZ       PHE  98   2.971  -7.460   0.878
  564    H    CYS  99           HN       CYS  99  11.326  -8.492   0.145
  565    HA   CYS  99           HA       CYS  99  12.912  -6.231   0.907
  566    HB2  CYS  99           HB2      CYS  99  13.543  -8.747   0.953
  567    HB3  CYS  99           HB3      CYS  99  13.839  -8.542  -0.773
  568    HG   CYS  99           HG       CYS  99  16.022  -8.257   1.447
  569    H    MET 100           HN       MET 100  11.824  -4.704  -0.517
  570    HA   MET 100           HA       MET 100  12.913  -4.848  -3.238
  571    HB2  MET 100           HB2      MET 100  10.357  -3.640  -2.232
  572    HB3  MET 100           HB3      MET 100  11.113  -3.020  -3.693
  573    HG2  MET 100           HG2      MET 100   9.634  -4.510  -4.563
  574    HG3  MET 100           HG3      MET 100  11.087  -5.518  -4.410
  575    HE1  MET 100           HE1      MET 100   7.612  -5.656  -1.374
  576    HE2  MET 100           HE2      MET 100   8.765  -4.324  -1.455
  577    HE3  MET 100           HE3      MET 100   7.630  -4.590  -2.778
  578    H    SER 101           HN       SER 101  14.425  -3.425  -3.684
  579    HA   SER 101           HA       SER 101  14.690  -0.960  -2.247
  580    HB2  SER 101           HB2      SER 101  16.072  -0.348  -4.346
  581    HB3  SER 101           HB3      SER 101  16.679  -1.680  -3.363
  582    HG   SER 101           HG       SER 101  16.214  -3.073  -4.907
  583    H    GLY 102           HN       GLY 102  13.915   1.103  -3.140
  584    HA2  GLY 102           HA1      GLY 102  11.263   1.015  -3.788
  585    HA3  GLY 102           HA2      GLY 102  12.291   2.394  -4.106
  586    H    ALA 103           HN       ALA 103  13.944   1.321  -6.124
  587    HA   ALA 103           HA       ALA 103  12.370   1.592  -8.426
  588    HB1  ALA 103           HB1      ALA 103  14.802   1.939  -8.394
  589    HB2  ALA 103           HB2      ALA 103  15.040   0.206  -8.166
  590    HB3  ALA 103           HB3      ALA 103  14.320   0.810  -9.658
  591    H    ALA 104           HN       ALA 104  13.433  -1.227  -6.638
  592    HA   ALA 104           HA       ALA 104  12.339  -3.181  -8.397
  593    HB1  ALA 104           HB1      ALA 104  12.743  -4.750  -6.580
  594    HB2  ALA 104           HB2      ALA 104  14.140  -3.694  -6.794
  595    HB3  ALA 104           HB3      ALA 104  13.016  -3.410  -5.460
  596    H    LEU 105           HN       LEU 105  11.216  -1.709  -5.298
  597    HA   LEU 105           HA       LEU 105   8.835  -2.821  -4.933
  598    HB2  LEU 105           HB2      LEU 105   9.730  -1.020  -3.544
  599    HB3  LEU 105           HB3      LEU 105   9.440   0.147  -4.830
  600    HG   LEU 105           HG       LEU 105   7.022  -0.413  -4.699
  601   HD11  LEU 105          HD11      LEU 105   7.023  -2.572  -3.747
  602   HD12  LEU 105          HD12      LEU 105   7.963  -2.031  -2.352
  603   HD13  LEU 105          HD13      LEU 105   6.293  -1.499  -2.547
  604   HD21  LEU 105          HD21      LEU 105   7.922   1.555  -3.595
  605   HD22  LEU 105          HD22      LEU 105   6.581   0.855  -2.688
  606   HD23  LEU 105          HD23      LEU 105   8.240   0.598  -2.146
  607    H    CYS 106           HN       CYS 106   9.317  -0.021  -6.920
  608    HA   CYS 106           HA       CYS 106   6.792   0.083  -8.040
  609    HB2  CYS 106           HB2      CYS 106   8.340   1.940  -8.023
  610    HB3  CYS 106           HB3      CYS 106   9.445   1.059  -9.072
  611    HG   CYS 106           HG       CYS 106   6.377   2.327  -9.926
  612    H    ALA 107           HN       ALA 107   9.778  -1.390  -9.342
  613    HA   ALA 107           HA       ALA 107   8.838  -2.036 -11.849
  614    HB1  ALA 107           HB1      ALA 107  10.703  -3.566 -11.992
  615    HB2  ALA 107           HB2      ALA 107  11.181  -2.068 -11.193
  616    HB3  ALA 107           HB3      ALA 107  10.893  -3.523 -10.240
  617    H    LEU 108           HN       LEU 108   8.215  -3.812  -8.849
  618    HA   LEU 108           HA       LEU 108   7.740  -6.300 -10.040
  619    HB2  LEU 108           HB2      LEU 108   6.224  -6.712  -7.997
  620    HB3  LEU 108           HB3      LEU 108   7.937  -6.469  -7.754
  621    HG   LEU 108           HG       LEU 108   7.435  -4.094  -7.112
  622   HD11  LEU 108          HD11      LEU 108   5.121  -3.587  -6.384
  623   HD12  LEU 108          HD12      LEU 108   5.275  -3.755  -8.132
  624   HD13  LEU 108          HD13      LEU 108   4.576  -5.067  -7.182
  625   HD21  LEU 108          HD21      LEU 108   6.178  -6.287  -5.480
  626   HD22  LEU 108          HD22      LEU 108   7.880  -5.820  -5.476
  627   HD23  LEU 108          HD23      LEU 108   6.656  -4.700  -4.880
  628    H    GLY 109           HN       GLY 109   5.589  -3.539  -9.709
  629    HA2  GLY 109           HA1      GLY 109   3.577  -3.120 -10.758
  630    HA3  GLY 109           HA2      GLY 109   3.828  -4.577 -11.711
  631    H    LYS 110           HN       LYS 110   1.323  -3.886 -10.769
  632    HA   LYS 110           HA       LYS 110   0.456  -4.878  -8.378
  633    HB2  LYS 110           HB2      LYS 110  -1.506  -4.293  -9.282
  634    HB3  LYS 110           HB3      LYS 110  -0.741  -4.168 -10.854
  635    HG2  LYS 110           HG2      LYS 110  -2.519  -5.603 -11.229
  636    HG3  LYS 110           HG3      LYS 110  -1.155  -6.697 -11.023
  637    HD2  LYS 110           HD2      LYS 110  -2.024  -6.511  -8.483
  638    HD3  LYS 110           HD3      LYS 110  -3.540  -6.302  -9.361
  639    HE2  LYS 110           HE2      LYS 110  -1.608  -8.578  -9.830
  640    HE3  LYS 110           HE3      LYS 110  -3.002  -8.675  -8.759
  641    HZ1  LYS 110           HZ1      LYS 110  -3.496  -9.597 -10.925
  642    HZ2  LYS 110           HZ2      LYS 110  -3.099  -8.134 -11.682
  643    HZ3  LYS 110           HZ3      LYS 110  -4.443  -8.222 -10.645
  644    H    GLU 111           HN       GLU 111   0.814  -6.804 -11.363
  645    HA   GLU 111           HA       GLU 111  -0.110  -9.215 -10.524
  646    HB2  GLU 111           HB2      GLU 111   0.579  -8.762 -12.801
  647    HB3  GLU 111           HB3      GLU 111   2.262  -8.670 -12.306
  648    HG2  GLU 111           HG2      GLU 111   2.248 -11.022 -11.728
  649    HG3  GLU 111           HG3      GLU 111   0.536 -11.129 -12.142
  650    H    CYS 112           HN       CYS 112   3.221  -8.082 -10.122
  651    HA   CYS 112           HA       CYS 112   4.006 -10.515  -8.842
  652    HB2  CYS 112           HB2      CYS 112   5.442  -7.889  -9.168
  653    HB3  CYS 112           HB3      CYS 112   6.150  -9.298  -8.384
  654    HG   CYS 112           HG       CYS 112   5.262 -10.657 -11.023
  655    H    PHE 113           HN       PHE 113   3.472  -7.166  -7.708
  656    HA   PHE 113           HA       PHE 113   4.103  -7.538  -5.067
  657    HB2  PHE 113           HB2      PHE 113   3.344  -5.397  -6.365
  658    HB3  PHE 113           HB3      PHE 113   1.744  -5.821  -5.768
  659    HD1  PHE 113           HD2      PHE 113   1.585  -6.312  -3.241
  660    HD2  PHE 113           HD1      PHE 113   4.758  -4.069  -5.020
  661    HE1  PHE 113           HE2      PHE 113   2.114  -5.330  -1.065
  662    HE2  PHE 113           HE1      PHE 113   5.281  -3.105  -2.831
  663    HZ   PHE 113           HZ       PHE 113   3.973  -3.740  -0.852
  664    H    LEU 114           HN       LEU 114   0.965  -8.242  -6.595
  665    HA   LEU 114           HA       LEU 114  -0.206  -8.828  -4.033
  666    HB2  LEU 114           HB2      LEU 114  -1.462  -9.735  -6.579
  667    HB3  LEU 114           HB3      LEU 114  -2.218  -9.243  -5.076
  668    HG   LEU 114           HG       LEU 114  -1.264  -7.607  -7.350
  669   HD11  LEU 114          HD11      LEU 114  -3.309  -6.332  -6.693
  670   HD12  LEU 114          HD12      LEU 114  -3.595  -8.012  -7.152
  671   HD13  LEU 114          HD13      LEU 114  -3.589  -7.554  -5.451
  672   HD21  LEU 114          HD21      LEU 114  -1.000  -5.618  -6.126
  673   HD22  LEU 114          HD22      LEU 114  -1.502  -6.390  -4.620
  674   HD23  LEU 114          HD23      LEU 114   0.044  -6.818  -5.354
  675    H    GLU 115           HN       GLU 115   1.418 -10.642  -6.480
  676    HA   GLU 115           HA       GLU 115   0.830 -13.173  -5.242
  677    HB2  GLU 115           HB2      GLU 115   2.870 -12.346  -7.309
  678    HB3  GLU 115           HB3      GLU 115   2.661 -14.001  -6.752
  679    HG2  GLU 115           HG2      GLU 115   0.531 -12.349  -8.086
  680    HG3  GLU 115           HG3      GLU 115   1.535 -13.557  -8.889
  681    H    LEU 116           HN       LEU 116   2.677 -10.546  -4.557
  682    HA   LEU 116           HA       LEU 116   4.996 -11.879  -3.436
  683    HB2  LEU 116           HB2      LEU 116   5.669  -9.968  -4.481
  684    HB3  LEU 116           HB3      LEU 116   4.160  -9.135  -4.172
  685    HG   LEU 116           HG       LEU 116   5.832  -9.552  -1.796
  686   HD11  LEU 116          HD11      LEU 116   7.572  -9.129  -3.457
  687   HD12  LEU 116          HD12      LEU 116   6.693  -7.702  -4.007
  688   HD13  LEU 116          HD13      LEU 116   7.372  -7.746  -2.380
  689   HD21  LEU 116          HD21      LEU 116   3.791  -8.248  -1.767
  690   HD22  LEU 116          HD22      LEU 116   5.192  -7.239  -1.408
  691   HD23  LEU 116          HD23      LEU 116   4.451  -7.182  -3.006
  692    H    ALA 117           HN       ALA 117   2.017 -10.411  -2.435
  693    HA   ALA 117           HA       ALA 117   2.536 -11.342   0.320
  694    HB1  ALA 117           HB1      ALA 117   1.187  -9.457   1.168
  695    HB2  ALA 117           HB2      ALA 117   2.625  -8.897   0.310
  696    HB3  ALA 117           HB3      ALA 117   1.048  -8.829  -0.478
  697    HA   PRO 118           HA       PRO 118  -1.721 -13.116   0.130
  698    HB2  PRO 118           HB2      PRO 118  -2.654 -10.891   1.883
  699    HB3  PRO 118           HB3      PRO 118  -2.969 -12.626   2.009
  700    HG2  PRO 118           HG2      PRO 118  -1.219 -11.449   3.634
  701    HG3  PRO 118           HG3      PRO 118  -0.909 -13.068   2.979
  702    HD2  PRO 118           HD2      PRO 118   0.301 -10.454   2.226
  703    HD3  PRO 118           HD3      PRO 118   1.019 -12.077   2.222
  704    H    ASP 119           HN       ASP 119  -3.402 -12.751  -1.233
  705    HA   ASP 119           HA       ASP 119  -3.207 -10.837  -3.187
  706    HB2  ASP 119           HB2      ASP 119  -5.211 -11.644  -4.096
  707    HB3  ASP 119           HB3      ASP 119  -4.543 -13.013  -3.215
  708    H    PHE 120           HN       PHE 120  -4.620 -10.350  -0.066
  709    HA   PHE 120           HA       PHE 120  -6.196  -8.084  -0.951
  710    HB2  PHE 120           HB2      PHE 120  -7.021  -9.692   0.821
  711    HB3  PHE 120           HB3      PHE 120  -5.742  -9.075   1.862
  712    HD1  PHE 120           HD1      PHE 120  -7.058  -6.529  -0.244
  713    HD2  PHE 120           HD2      PHE 120  -7.781  -8.669   3.365
  714    HE1  PHE 120           HE1      PHE 120  -8.546  -4.729   0.524
  715    HE2  PHE 120           HE2      PHE 120  -9.269  -6.870   4.137
  716    HZ   PHE 120           HZ       PHE 120  -9.649  -4.900   2.714
  717    H    VAL 121           HN       VAL 121  -3.421  -8.929   0.945
  718    HA   VAL 121           HA       VAL 121  -2.850  -6.327   1.898
  719    HB   VAL 121           HB       VAL 121  -1.153  -8.811   1.765
  720   HG11  VAL 121          HG11      VAL 121   0.134  -7.762   3.576
  721   HG12  VAL 121          HG12      VAL 121   0.200  -6.820   2.085
  722   HG13  VAL 121          HG13      VAL 121  -0.844  -6.301   3.407
  723   HG21  VAL 121          HG21      VAL 121  -3.330  -9.031   2.909
  724   HG22  VAL 121          HG22      VAL 121  -1.946  -9.235   4.000
  725   HG23  VAL 121          HG23      VAL 121  -2.854  -7.720   3.993
  726    H    GLY 122           HN       GLY 122  -1.506  -8.411  -0.654
  727    HA2  GLY 122           HA1      GLY 122   0.485  -6.756  -1.594
  728    HA3  GLY 122           HA2      GLY 122  -0.473  -7.838  -2.600
  729    H    ASP 123           HN       ASP 123  -2.993  -6.690  -2.404
  730    HA   ASP 123           HA       ASP 123  -2.622  -4.530  -4.254
  731    HB2  ASP 123           HB2      ASP 123  -4.401  -6.210  -4.598
  732    HB3  ASP 123           HB3      ASP 123  -5.204  -5.647  -3.134
  733    H    ILE 124           HN       ILE 124  -3.799  -4.878  -0.937
  734    HA   ILE 124           HA       ILE 124  -4.435  -2.264  -0.371
  735    HB   ILE 124           HB       ILE 124  -3.284  -4.485   1.255
  736   HG12  ILE 124          HG12      ILE 124  -5.751  -2.746   1.541
  737   HG13  ILE 124          HG13      ILE 124  -5.699  -4.321   0.752
  738   HG21  ILE 124          HG21      ILE 124  -2.103  -2.461   2.062
  739   HG22  ILE 124          HG22      ILE 124  -3.659  -1.675   2.323
  740   HG23  ILE 124          HG23      ILE 124  -3.223  -3.101   3.265
  741   HD11  ILE 124          HD11      ILE 124  -6.600  -4.439   3.027
  742   HD12  ILE 124          HD12      ILE 124  -5.122  -5.386   2.852
  743   HD13  ILE 124          HD13      ILE 124  -5.074  -3.814   3.653
  744    H    LEU 125           HN       LEU 125  -1.237  -3.702   0.128
  745    HA   LEU 125           HA       LEU 125   0.087  -1.270   0.424
  746    HB2  LEU 125           HB2      LEU 125   0.822  -4.081  -0.116
  747    HB3  LEU 125           HB3      LEU 125   2.039  -2.858  -0.472
  748    HG   LEU 125           HG       LEU 125   0.642  -3.113   2.182
  749   HD11  LEU 125          HD11      LEU 125   1.979  -5.110   1.722
  750   HD12  LEU 125          HD12      LEU 125   3.375  -4.092   1.369
  751   HD13  LEU 125          HD13      LEU 125   2.698  -4.128   2.997
  752   HD21  LEU 125          HD21      LEU 125   3.056  -1.558   1.264
  753   HD22  LEU 125          HD22      LEU 125   1.479  -0.895   1.697
  754   HD23  LEU 125          HD23      LEU 125   2.482  -1.661   2.930
  755    H    TRP 126           HN       TRP 126  -0.616  -3.191  -2.460
  756    HA   TRP 126           HA       TRP 126   0.922  -1.675  -4.253
  757    HB2  TRP 126           HB2      TRP 126   0.077  -3.801  -4.988
  758    HB3  TRP 126           HB3      TRP 126  -1.590  -3.285  -4.733
  759    HD1  TRP 126           HD1      TRP 126  -2.792  -2.438  -6.809
  760    HE1  TRP 126           HE1      TRP 126  -2.077  -1.478  -9.110
  761    HE3  TRP 126           HE3      TRP 126   2.260  -2.435  -6.138
  762    HZ2  TRP 126           HZ2      TRP 126   0.343  -0.812 -10.428
  763    HZ3  TRP 126           HZ3      TRP 126   3.707  -1.630  -7.953
  764    HH2  TRP 126           HH2      TRP 126   2.764  -0.839 -10.062
  765    H    GLU 127           HN       GLU 127  -2.433  -1.228  -3.114
  766    HA   GLU 127           HA       GLU 127  -3.067   0.972  -4.689
  767    HB2  GLU 127           HB2      GLU 127  -3.969   0.020  -2.043
  768    HB3  GLU 127           HB3      GLU 127  -4.224   1.728  -2.375
  769    HG2  GLU 127           HG2      GLU 127  -5.202  -0.569  -4.035
  770    HG3  GLU 127           HG3      GLU 127  -6.170   0.436  -2.958
  771    H    HIS 128           HN       HIS 128  -1.744   1.114  -1.345
  772    HA   HIS 128           HA       HIS 128  -1.224   3.876  -1.566
  773    HB2  HIS 128           HB2      HIS 128  -1.171   2.493   0.598
  774    HB3  HIS 128           HB3      HIS 128   0.487   2.087   0.153
  775    HD1  HIS 128           HD1      HIS 128   0.726   3.499   2.590
  776    HD2  HIS 128           HD2      HIS 128  -0.053   5.650  -0.887
  777    HE1  HIS 128           HE1      HIS 128   1.359   5.880   3.110
  778    HE2  HIS 128           HE2      HIS 128   0.841   7.176   1.010
  779    H    LEU 129           HN       LEU 129   0.762   1.091  -2.517
  780    HA   LEU 129           HA       LEU 129   3.051   2.464  -3.260
  781    HB2  LEU 129           HB2      LEU 129   2.772   0.010  -3.381
  782    HB3  LEU 129           HB3      LEU 129   1.671   0.208  -4.729
  783    HG   LEU 129           HG       LEU 129   3.373   0.687  -6.232
  784   HD11  LEU 129          HD11      LEU 129   5.546   1.553  -5.617
  785   HD12  LEU 129          HD12      LEU 129   4.290   2.551  -4.881
  786   HD13  LEU 129          HD13      LEU 129   5.166   1.373  -3.902
  787   HD21  LEU 129          HD21      LEU 129   5.117  -0.937  -5.897
  788   HD22  LEU 129          HD22      LEU 129   4.798  -0.977  -4.162
  789   HD23  LEU 129          HD23      LEU 129   3.600  -1.603  -5.294
  790    H    GLU 130           HN       GLU 130   0.097   1.866  -5.080
  791    HA   GLU 130           HA       GLU 130   0.839   3.355  -7.298
  792    HB2  GLU 130           HB2      GLU 130  -1.030   1.682  -7.240
  793    HB3  GLU 130           HB3      GLU 130  -1.978   2.829  -6.304
  794    HG2  GLU 130           HG2      GLU 130  -1.705   4.429  -8.248
  795    HG3  GLU 130           HG3      GLU 130  -1.075   3.057  -9.157
  796    H    ILE 131           HN       ILE 131  -0.930   4.160  -4.407
  797    HA   ILE 131           HA       ILE 131  -1.621   6.788  -4.985
  798    HB   ILE 131           HB       ILE 131  -1.295   5.228  -2.477
  799   HG12  ILE 131          HG12      ILE 131  -3.659   5.700  -2.209
  800   HG13  ILE 131          HG13      ILE 131  -3.624   6.855  -3.536
  801   HG21  ILE 131          HG21      ILE 131  -1.720   8.209  -2.616
  802   HG22  ILE 131          HG22      ILE 131  -2.063   7.225  -1.186
  803   HG23  ILE 131          HG23      ILE 131  -0.410   7.353  -1.802
  804   HD11  ILE 131          HD11      ILE 131  -4.679   4.932  -4.356
  805   HD12  ILE 131          HD12      ILE 131  -3.055   4.894  -5.031
  806   HD13  ILE 131          HD13      ILE 131  -3.466   3.858  -3.659
  807    H    LEU 132           HN       LEU 132   1.336   5.555  -3.359
  808    HA   LEU 132           HA       LEU 132   2.501   8.035  -2.799
  809    HB2  LEU 132           HB2      LEU 132   4.092   5.666  -3.758
  810    HB3  LEU 132           HB3      LEU 132   4.651   6.981  -2.748
  811    HG   LEU 132           HG       LEU 132   2.434   5.419  -1.613
  812   HD11  LEU 132          HD11      LEU 132   3.895   3.532  -1.074
  813   HD12  LEU 132          HD12      LEU 132   3.667   3.701  -2.815
  814   HD13  LEU 132          HD13      LEU 132   5.172   4.236  -2.067
  815   HD21  LEU 132          HD21      LEU 132   5.154   6.273  -0.572
  816   HD22  LEU 132          HD22      LEU 132   3.626   7.115  -0.299
  817   HD23  LEU 132          HD23      LEU 132   3.887   5.508   0.387
  818    H    GLN 133           HN       GLN 133   2.474   6.073  -5.660
  819    HA   GLN 133           HA       GLN 133   4.096   7.765  -7.262
  820    HB2  GLN 133           HB2      GLN 133   2.278   5.453  -7.741
  821    HB3  GLN 133           HB3      GLN 133   2.678   6.477  -9.115
  822    HG2  GLN 133           HG2      GLN 133   4.854   5.825  -9.152
  823    HG3  GLN 133           HG3      GLN 133   4.916   5.542  -7.413
  824   HE21  GLN 133          HE21      GLN 133   2.662   3.867  -7.238
  825   HE22  GLN 133          HE22      GLN 133   3.047   2.361  -7.994
  826    H    LYS 134           HN       LYS 134   0.528   7.364  -6.918
  827    HA   LYS 134           HA       LYS 134  -0.316   9.196  -8.731
  828    HB2  LYS 134           HB2      LYS 134  -2.188   8.286  -7.976
  829    HB3  LYS 134           HB3      LYS 134  -1.379   7.715  -6.532
  830    HG2  LYS 134           HG2      LYS 134  -2.283  10.550  -6.643
  831    HG3  LYS 134           HG3      LYS 134  -3.475   9.275  -6.401
  832    HD2  LYS 134           HD2      LYS 134  -2.103   8.458  -4.474
  833    HD3  LYS 134           HD3      LYS 134  -1.067   9.870  -4.681
  834    HE2  LYS 134           HE2      LYS 134  -4.034   9.966  -4.129
  835    HE3  LYS 134           HE3      LYS 134  -2.767  10.171  -2.920
  836    HZ1  LYS 134           HZ1      LYS 134  -3.801  12.253  -3.902
  837    HZ2  LYS 134           HZ2      LYS 134  -2.918  11.914  -5.309
  838    HZ3  LYS 134           HZ3      LYS 134  -2.106  12.189  -3.845
  839    H    GLU 135           HN       GLU 135   1.001   9.822  -5.542
  840    HA   GLU 135           HA       GLU 135   0.134  12.404  -5.117
  841    HB2  GLU 135           HB2      GLU 135   1.868  10.656  -3.899
  842    HB3  GLU 135           HB3      GLU 135   2.934  11.958  -4.409
  843    HG2  GLU 135           HG2      GLU 135   2.095  12.278  -2.131
  844    HG3  GLU 135           HG3      GLU 135   1.599  13.576  -3.217
  845    H    ASP 136           HN       ASP 136   2.652  11.224  -7.244
  846    HA   ASP 136           HA       ASP 136   2.667  13.747  -8.637
  847    HB2  ASP 136           HB2      ASP 136   4.347  14.128  -6.860
  848    HB3  ASP 136           HB3      ASP 136   5.235  12.715  -7.414
  849    H    VAL 137           HN       VAL 137   1.656  11.635  -9.693
  850    HA   VAL 137           HA       VAL 137   3.710  10.744 -11.611
  851    HB   VAL 137           HB       VAL 137   2.807   8.892 -10.144
  852   HG11  VAL 137          HG11      VAL 137   0.317   9.049 -11.805
  853   HG12  VAL 137          HG12      VAL 137   0.630   8.075 -10.368
  854   HG13  VAL 137          HG13      VAL 137   0.443   9.825 -10.227
  855   HG21  VAL 137          HG21      VAL 137   2.365   8.644 -13.115
  856   HG22  VAL 137          HG22      VAL 137   3.889   8.417 -12.260
  857   HG23  VAL 137          HG23      VAL 137   2.552   7.300 -11.988
  858    H    LYS 138           HN       LYS 138   0.418  11.853 -11.106
  859    HA   LYS 138           HA       LYS 138   0.353  12.726 -13.889
  860    HB2  LYS 138           HB2      LYS 138  -0.863  10.505 -13.671
  861    HB3  LYS 138           HB3      LYS 138  -2.014  11.335 -12.631
  862    HG2  LYS 138           HG2      LYS 138  -2.259  12.979 -14.613
  863    HG3  LYS 138           HG3      LYS 138  -1.526  11.683 -15.559
  864    HD2  LYS 138           HD2      LYS 138  -3.735  11.155 -15.814
  865    HD3  LYS 138           HD3      LYS 138  -3.374  10.234 -14.354
  866    HE2  LYS 138           HE2      LYS 138  -4.622  12.980 -14.452
  867    HE3  LYS 138           HE3      LYS 138  -5.481  11.472 -14.151
  868    HZ1  LYS 138           HZ1      LYS 138  -5.062  12.568 -12.082
  869    HZ2  LYS 138           HZ2      LYS 138  -3.408  12.717 -12.423
  870    HZ3  LYS 138           HZ3      LYS 138  -4.083  11.184 -12.150
  Start of MODEL   13
    1    H1   MET  29           H1       MET  29 -32.082   6.847   8.275
    2    H2   MET  29           H2       MET  29 -33.480   6.301   9.061
    3    H3   MET  29           H3       MET  29 -33.538   6.704   7.414
    4    HA   MET  29           HA       MET  29 -33.506   4.327   7.661
    5    HB2  MET  29           HB2      MET  29 -30.838   5.395   6.707
    6    HB3  MET  29           HB3      MET  29 -31.525   3.832   6.291
    7    HG2  MET  29           HG2      MET  29 -32.618   6.531   5.541
    8    HG3  MET  29           HG3      MET  29 -31.812   5.385   4.471
    9    HE1  MET  29           HE1      MET  29 -35.497   5.281   3.176
   10    HE2  MET  29           HE2      MET  29 -34.597   6.681   3.757
   11    HE3  MET  29           HE3      MET  29 -33.803   5.487   2.731
   12    H    GLU  30           HN       GLU  30 -30.884   2.974   7.723
   13    HA   GLU  30           HA       GLU  30 -30.712   2.603  10.586
   14    HB2  GLU  30           HB2      GLU  30 -29.010   0.859  10.001
   15    HB3  GLU  30           HB3      GLU  30 -30.596   0.611   9.294
   16    HG2  GLU  30           HG2      GLU  30 -28.483   2.006   7.722
   17    HG3  GLU  30           HG3      GLU  30 -28.446   0.252   7.883
   18    H    CYS  31           HN       CYS  31 -29.641   5.009   8.924
   19    HA   CYS  31           HA       CYS  31 -28.194   6.676   9.370
   20    HB2  CYS  31           HB2      CYS  31 -27.314   5.077  11.772
   21    HB3  CYS  31           HB3      CYS  31 -27.116   6.806  11.514
   22    HG   CYS  31           HG       CYS  31 -29.139   6.071  13.463
   23    H    ALA  32           HN       ALA  32 -26.103   4.204  10.795
   24    HA   ALA  32           HA       ALA  32 -23.908   5.225   9.241
   25    HB1  ALA  32           HB1      ALA  32 -23.966   2.953  11.222
   26    HB2  ALA  32           HB2      ALA  32 -22.528   3.755  10.589
   27    HB3  ALA  32           HB3      ALA  32 -23.656   4.647  11.610
   28    H    ASP  33           HN       ASP  33 -25.949   2.403   9.186
   29    HA   ASP  33           HA       ASP  33 -24.216   1.061   7.258
   30    HB2  ASP  33           HB2      ASP  33 -26.801   0.168   8.558
   31    HB3  ASP  33           HB3      ASP  33 -25.848  -0.805   7.445
   32    H    VAL  34           HN       VAL  34 -25.409   3.506   6.488
   33    HA   VAL  34           HA       VAL  34 -27.807   3.254   5.067
   34    HB   VAL  34           HB       VAL  34 -26.948   5.437   5.608
   35   HG11  VAL  34          HG11      VAL  34 -24.560   4.983   5.503
   36   HG12  VAL  34          HG12      VAL  34 -24.648   4.835   3.748
   37   HG13  VAL  34          HG13      VAL  34 -24.964   6.388   4.519
   38   HG21  VAL  34          HG21      VAL  34 -26.980   5.015   2.621
   39   HG22  VAL  34          HG22      VAL  34 -28.380   5.307   3.655
   40   HG23  VAL  34          HG23      VAL  34 -27.165   6.566   3.440
   41    HA   PRO  35           HA       PRO  35 -26.524   0.500   1.838
   42    HB2  PRO  35           HB2      PRO  35 -28.989   1.532   0.549
   43    HB3  PRO  35           HB3      PRO  35 -28.509  -0.134   0.891
   44    HG2  PRO  35           HG2      PRO  35 -30.381   1.041   2.349
   45    HG3  PRO  35           HG3      PRO  35 -29.164  -0.002   3.112
   46    HD2  PRO  35           HD2      PRO  35 -29.292   2.995   3.011
   47    HD3  PRO  35           HD3      PRO  35 -28.881   1.934   4.377
   48    H    LEU  36           HN       LEU  36 -25.084   0.909   0.384
   49    HA   LEU  36           HA       LEU  36 -25.451   3.003  -1.605
   50    HB2  LEU  36           HB2      LEU  36 -23.047   2.868   0.221
   51    HB3  LEU  36           HB3      LEU  36 -23.105   3.811  -1.252
   52    HG   LEU  36           HG       LEU  36 -24.921   4.253   1.116
   53   HD11  LEU  36          HD11      LEU  36 -22.605   4.731   1.705
   54   HD12  LEU  36          HD12      LEU  36 -22.439   5.746   0.271
   55   HD13  LEU  36          HD13      LEU  36 -23.536   6.221   1.566
   56   HD21  LEU  36          HD21      LEU  36 -24.398   5.904  -1.354
   57   HD22  LEU  36          HD22      LEU  36 -25.861   4.979  -1.017
   58   HD23  LEU  36          HD23      LEU  36 -25.440   6.360  -0.006
   59    H    LEU  37           HN       LEU  37 -22.621   1.223  -0.511
   60    HA   LEU  37           HA       LEU  37 -22.733  -0.481  -2.905
   61    HB2  LEU  37           HB2      LEU  37 -20.289   0.913  -1.779
   62    HB3  LEU  37           HB3      LEU  37 -20.254  -0.289  -3.052
   63    HG   LEU  37           HG       LEU  37 -21.657   2.374  -3.277
   64   HD11  LEU  37          HD11      LEU  37 -18.961   1.510  -4.320
   65   HD12  LEU  37          HD12      LEU  37 -19.775   3.027  -4.703
   66   HD13  LEU  37          HD13      LEU  37 -19.259   2.697  -3.049
   67   HD21  LEU  37          HD21      LEU  37 -21.709   1.845  -5.666
   68   HD22  LEU  37          HD22      LEU  37 -20.972   0.278  -5.336
   69   HD23  LEU  37          HD23      LEU  37 -22.583   0.640  -4.719
   70    H    THR  38           HN       THR  38 -22.197  -2.617  -2.493
   71    HA   THR  38           HA       THR  38 -22.026  -3.354   0.285
   72    HB   THR  38           HB       THR  38 -23.395  -4.726  -1.185
   73    HG1  THR  38           HG1      THR  38 -22.717  -6.645  -0.360
   74   HG21  THR  38          HG21      THR  38 -22.389  -6.181  -2.892
   75   HG22  THR  38          HG22      THR  38 -20.826  -5.412  -2.623
   76   HG23  THR  38          HG23      THR  38 -22.168  -4.476  -3.279
   77    HA   PRO  39           HA       PRO  39 -17.572  -3.421   0.206
   78    HB2  PRO  39           HB2      PRO  39 -17.622  -3.714   3.042
   79    HB3  PRO  39           HB3      PRO  39 -17.357  -2.234   2.124
   80    HG2  PRO  39           HG2      PRO  39 -19.560  -2.745   3.731
   81    HG3  PRO  39           HG3      PRO  39 -19.483  -1.521   2.453
   82    HD2  PRO  39           HD2      PRO  39 -20.675  -4.259   2.389
   83    HD3  PRO  39           HD3      PRO  39 -21.248  -2.759   1.629
   84    H    SER  40           HN       SER  40 -16.570  -5.299  -0.357
   85    HA   SER  40           HA       SER  40 -16.766  -7.450   1.626
   86    HB2  SER  40           HB2      SER  40 -18.166  -7.987  -0.381
   87    HB3  SER  40           HB3      SER  40 -16.699  -7.937  -1.358
   88    HG   SER  40           HG       SER  40 -16.637  -9.987  -0.842
   89    H    SER  41           HN       SER  41 -14.931  -6.799  -1.408
   90    HA   SER  41           HA       SER  41 -12.545  -7.672   0.020
   91    HB2  SER  41           HB2      SER  41 -12.836  -6.977  -2.906
   92    HB3  SER  41           HB3      SER  41 -11.486  -7.820  -2.145
   93    HG   SER  41           HG       SER  41 -12.655  -9.607  -1.973
   94    H    LYS  42           HN       LYS  42 -13.273  -4.957  -2.202
   95    HA   LYS  42           HA       LYS  42 -10.813  -3.730  -1.231
   96    HB2  LYS  42           HB2      LYS  42 -11.200  -4.049  -3.675
   97    HB3  LYS  42           HB3      LYS  42 -12.486  -2.855  -3.573
   98    HG2  LYS  42           HG2      LYS  42 -11.046  -1.107  -3.345
   99    HG3  LYS  42           HG3      LYS  42  -9.819  -2.080  -2.517
  100    HD2  LYS  42           HD2      LYS  42  -9.205  -3.134  -4.611
  101    HD3  LYS  42           HD3      LYS  42 -10.488  -2.271  -5.459
  102    HE2  LYS  42           HE2      LYS  42  -8.277  -0.853  -3.998
  103    HE3  LYS  42           HE3      LYS  42  -8.131  -1.344  -5.685
  104    HZ1  LYS  42           HZ1      LYS  42  -8.870   0.924  -5.563
  105    HZ2  LYS  42           HZ2      LYS  42 -10.169   0.509  -4.559
  106    HZ3  LYS  42           HZ3      LYS  42 -10.132  -0.030  -6.167
  107    H    GLU  43           HN       GLU  43 -14.184  -3.329  -0.757
  108    HA   GLU  43           HA       GLU  43 -14.257  -0.502  -0.635
  109    HB2  GLU  43           HB2      GLU  43 -16.250  -1.976  -0.860
  110    HB3  GLU  43           HB3      GLU  43 -16.039  -2.454   0.819
  111    HG2  GLU  43           HG2      GLU  43 -17.762  -0.766   0.611
  112    HG3  GLU  43           HG3      GLU  43 -16.388  -0.143   1.524
  113    H    MET  44           HN       MET  44 -13.400  -2.988   1.671
  114    HA   MET  44           HA       MET  44 -13.306  -1.470   3.995
  115    HB2  MET  44           HB2      MET  44 -11.672  -3.827   3.065
  116    HB3  MET  44           HB3      MET  44 -11.449  -3.107   4.656
  117    HG2  MET  44           HG2      MET  44 -12.897  -5.044   4.786
  118    HG3  MET  44           HG3      MET  44 -13.787  -3.581   5.195
  119    HE1  MET  44           HE1      MET  44 -16.131  -4.662   4.906
  120    HE2  MET  44           HE2      MET  44 -16.631  -5.599   3.498
  121    HE3  MET  44           HE3      MET  44 -15.384  -6.226   4.577
  122    H    MET  45           HN       MET  45 -10.590  -2.138   1.744
  123    HA   MET  45           HA       MET  45  -8.891  -0.198   2.904
  124    HB2  MET  45           HB2      MET  45  -7.471  -0.468   0.978
  125    HB3  MET  45           HB3      MET  45  -8.071  -2.050   1.473
  126    HG2  MET  45           HG2      MET  45  -9.888  -1.690  -0.295
  127    HG3  MET  45           HG3      MET  45  -8.855  -0.384  -0.885
  128    HE1  MET  45           HE1      MET  45  -6.539  -0.708  -1.983
  129    HE2  MET  45           HE2      MET  45  -5.986  -1.399  -0.460
  130    HE3  MET  45           HE3      MET  45  -5.650  -2.233  -1.977
  131    H    SER  46           HN       SER  46 -11.323  -0.004   0.393
  132    HA   SER  46           HA       SER  46 -10.799   2.471  -0.686
  133    HB2  SER  46           HB2      SER  46 -12.591   1.107  -1.517
  134    HB3  SER  46           HB3      SER  46 -13.437   1.174   0.024
  135    HG   SER  46           HG       SER  46 -14.371   2.908  -0.653
  136    H    GLN  47           HN       GLN  47 -12.821   1.829   2.191
  137    HA   GLN  47           HA       GLN  47 -12.827   4.606   2.883
  138    HB2  GLN  47           HB2      GLN  47 -13.973   3.867   4.963
  139    HB3  GLN  47           HB3      GLN  47 -14.753   3.314   3.491
  140    HG2  GLN  47           HG2      GLN  47 -13.667   1.117   3.796
  141    HG3  GLN  47           HG3      GLN  47 -13.016   1.688   5.330
  142   HE21  GLN  47          HE21      GLN  47 -14.095   0.133   6.508
  143   HE22  GLN  47          HE22      GLN  47 -15.809   0.190   6.764
  144    H    ALA  48           HN       ALA  48 -11.128   1.744   4.183
  145    HA   ALA  48           HA       ALA  48  -9.923   3.201   6.307
  146    HB1  ALA  48           HB1      ALA  48  -8.628   1.202   6.729
  147    HB2  ALA  48           HB2      ALA  48 -10.311   0.784   6.405
  148    HB3  ALA  48           HB3      ALA  48  -9.088   0.546   5.157
  149    H    LEU  49           HN       LEU  49  -8.515   1.983   3.205
  150    HA   LEU  49           HA       LEU  49  -5.887   2.832   3.924
  151    HB2  LEU  49           HB2      LEU  49  -7.175   1.420   1.736
  152    HB3  LEU  49           HB3      LEU  49  -5.989   2.577   1.161
  153    HG   LEU  49           HG       LEU  49  -5.559   0.190   2.912
  154   HD11  LEU  49          HD11      LEU  49  -5.646  -0.066   0.476
  155   HD12  LEU  49          HD12      LEU  49  -4.337   1.104   0.322
  156   HD13  LEU  49          HD13      LEU  49  -4.050  -0.435   1.134
  157   HD21  LEU  49          HD21      LEU  49  -4.275   1.947   3.952
  158   HD22  LEU  49          HD22      LEU  49  -3.182   0.891   3.056
  159   HD23  LEU  49          HD23      LEU  49  -3.641   2.458   2.391
  160    H    LYS  50           HN       LYS  50  -8.224   3.889   1.485
  161    HA   LYS  50           HA       LYS  50  -6.581   5.828   0.397
  162    HB2  LYS  50           HB2      LYS  50  -9.597   5.931   0.416
  163    HB3  LYS  50           HB3      LYS  50  -8.513   6.642  -0.768
  164    HG2  LYS  50           HG2      LYS  50  -8.965   3.703  -0.288
  165    HG3  LYS  50           HG3      LYS  50  -9.529   4.645  -1.667
  166    HD2  LYS  50           HD2      LYS  50  -6.643   4.096  -0.944
  167    HD3  LYS  50           HD3      LYS  50  -7.548   3.323  -2.242
  168    HE2  LYS  50           HE2      LYS  50  -6.947   6.276  -2.055
  169    HE3  LYS  50           HE3      LYS  50  -6.057   5.123  -3.042
  170    HZ1  LYS  50           HZ1      LYS  50  -8.208   4.651  -4.190
  171    HZ2  LYS  50           HZ2      LYS  50  -7.603   6.213  -4.437
  172    HZ3  LYS  50           HZ3      LYS  50  -8.886   5.966  -3.357
  173    H    ALA  51           HN       ALA  51  -8.702   5.929   3.140
  174    HA   ALA  51           HA       ALA  51  -8.470   8.767   3.581
  175    HB1  ALA  51           HB1      ALA  51  -9.422   6.606   5.452
  176    HB2  ALA  51           HB2      ALA  51  -9.614   8.344   5.683
  177    HB3  ALA  51           HB3      ALA  51 -10.436   7.535   4.348
  178    H    THR  52           HN       THR  52  -6.877   5.841   4.824
  179    HA   THR  52           HA       THR  52  -5.678   7.177   7.051
  180    HB   THR  52           HB       THR  52  -6.260   4.725   6.982
  181    HG1  THR  52           HG1      THR  52  -4.588   4.240   8.359
  182   HG21  THR  52          HG21      THR  52  -4.612   3.183   6.020
  183   HG22  THR  52          HG22      THR  52  -3.710   4.552   5.369
  184   HG23  THR  52          HG23      THR  52  -5.329   4.201   4.767
  185    H    PHE  53           HN       PHE  53  -4.839   7.115   3.799
  186    HA   PHE  53           HA       PHE  53  -2.172   6.483   3.742
  187    HB2  PHE  53           HB2      PHE  53  -3.736   8.401   2.038
  188    HB3  PHE  53           HB3      PHE  53  -2.042   8.040   1.725
  189    HD1  PHE  53           HD2      PHE  53  -2.004   5.161   2.395
  190    HD2  PHE  53           HD1      PHE  53  -4.812   7.477   0.214
  191    HE1  PHE  53           HE2      PHE  53  -2.681   3.161   1.147
  192    HE2  PHE  53           HE1      PHE  53  -5.504   5.473  -1.029
  193    HZ   PHE  53           HZ       PHE  53  -4.372   3.321  -0.616
  194    H    SER  54           HN       SER  54  -3.594   9.465   4.828
  195    HA   SER  54           HA       SER  54  -1.337  11.117   4.610
  196    HB2  SER  54           HB2      SER  54  -3.561  11.294   6.647
  197    HB3  SER  54           HB3      SER  54  -2.512  12.606   6.109
  198    HG   SER  54           HG       SER  54  -4.396  12.782   4.968
  199    H    GLY  55           HN       GLY  55  -2.063   8.542   6.776
  200    HA2  GLY  55           HA1      GLY  55  -0.533   9.214   9.000
  201    HA3  GLY  55           HA2      GLY  55  -0.821   7.581   8.426
  202    H    PHE  56           HN       PHE  56   0.608   7.034   6.381
  203    HA   PHE  56           HA       PHE  56   3.278   7.204   7.410
  204    HB2  PHE  56           HB2      PHE  56   2.554   5.132   6.342
  205    HB3  PHE  56           HB3      PHE  56   2.299   5.985   4.821
  206    HD1  PHE  56           HD1      PHE  56   4.834   4.780   7.199
  207    HD2  PHE  56           HD2      PHE  56   4.134   6.543   3.389
  208    HE1  PHE  56           HE1      PHE  56   7.183   4.378   6.582
  209    HE2  PHE  56           HE2      PHE  56   6.479   6.149   2.770
  210    HZ   PHE  56           HZ       PHE  56   8.005   5.059   4.365
  211    H    THR  57           HN       THR  57   1.582   8.503   4.640
  212    HA   THR  57           HA       THR  57   3.770   9.526   3.214
  213    HB   THR  57           HB       THR  57   1.026  10.762   3.340
  214    HG1  THR  57           HG1      THR  57   0.528   9.254   1.634
  215   HG21  THR  57          HG21      THR  57   2.666  12.056   2.074
  216   HG22  THR  57          HG22      THR  57   1.482  11.338   0.984
  217   HG23  THR  57          HG23      THR  57   3.090  10.628   1.131
  218    H    LYS  58           HN       LYS  58   2.269  10.574   6.095
  219    HA   LYS  58           HA       LYS  58   3.154  13.335   5.992
  220    HB2  LYS  58           HB2      LYS  58   1.112  12.612   7.252
  221    HB3  LYS  58           HB3      LYS  58   2.160  11.747   8.366
  222    HG2  LYS  58           HG2      LYS  58   3.295  14.099   8.615
  223    HG3  LYS  58           HG3      LYS  58   1.729  14.668   8.039
  224    HD2  LYS  58           HD2      LYS  58   2.223  12.934  10.459
  225    HD3  LYS  58           HD3      LYS  58   1.794  14.640  10.471
  226    HE2  LYS  58           HE2      LYS  58  -0.220  13.565  10.922
  227    HE3  LYS  58           HE3      LYS  58  -0.315  13.911   9.197
  228    HZ1  LYS  58           HZ1      LYS  58   0.651  11.302  10.215
  229    HZ2  LYS  58           HZ2      LYS  58   0.083  11.683   8.662
  230    HZ3  LYS  58           HZ3      LYS  58  -0.998  11.607   9.964
  231    H    GLU  59           HN       GLU  59   4.066  10.329   7.603
  232    HA   GLU  59           HA       GLU  59   6.253  11.626   9.000
  233    HB2  GLU  59           HB2      GLU  59   6.133   9.909  10.435
  234    HB3  GLU  59           HB3      GLU  59   4.652   9.461   9.602
  235    HG2  GLU  59           HG2      GLU  59   5.886   7.958   8.163
  236    HG3  GLU  59           HG3      GLU  59   7.404   8.438   8.941
  237    H    GLN  60           HN       GLN  60   5.644   9.894   6.134
  238    HA   GLN  60           HA       GLN  60   8.137   8.916   5.400
  239    HB2  GLN  60           HB2      GLN  60   6.005   8.641   4.144
  240    HB3  GLN  60           HB3      GLN  60   6.090  10.330   3.673
  241    HG2  GLN  60           HG2      GLN  60   8.181   9.857   2.481
  242    HG3  GLN  60           HG3      GLN  60   8.000   8.148   2.901
  243   HE21  GLN  60          HE21      GLN  60   7.846   7.554   0.735
  244   HE22  GLN  60          HE22      GLN  60   6.442   7.875  -0.211
  245    H    GLN  61           HN       GLN  61   6.706  12.091   4.959
  246    HA   GLN  61           HA       GLN  61   8.923  13.449   3.894
  247    HB2  GLN  61           HB2      GLN  61   6.880  14.629   5.784
  248    HB3  GLN  61           HB3      GLN  61   7.759  15.458   4.500
  249    HG2  GLN  61           HG2      GLN  61   5.572  13.416   4.199
  250    HG3  GLN  61           HG3      GLN  61   5.497  15.132   3.807
  251   HE21  GLN  61          HE21      GLN  61   5.062  12.700   2.196
  252   HE22  GLN  61          HE22      GLN  61   6.112  12.862   0.832
  253    H    ARG  62           HN       ARG  62   7.879  12.787   7.172
  254    HA   ARG  62           HA       ARG  62   9.673  14.398   8.619
  255    HB2  ARG  62           HB2      ARG  62   7.692  13.539   9.658
  256    HB3  ARG  62           HB3      ARG  62   8.153  11.885   9.284
  257    HG2  ARG  62           HG2      ARG  62   8.545  12.102  11.564
  258    HG3  ARG  62           HG3      ARG  62  10.137  12.252  10.827
  259    HD2  ARG  62           HD2      ARG  62  10.144  14.608  11.127
  260    HD3  ARG  62           HD3      ARG  62   8.439  14.615  11.587
  261    HE   ARG  62           HE       ARG  62  10.093  12.987  13.287
  262   HH11  ARG  62          HH12      ARG  62   8.879  16.219  12.733
  263   HH12  ARG  62          HH11      ARG  62   9.020  16.697  14.394
  264   HH21  ARG  62          HH22      ARG  62  10.266  13.592  15.476
  265   HH22  ARG  62          HH21      ARG  62   9.798  15.198  15.960
  266    H    LEU  63           HN       LEU  63   9.724  10.941   7.885
  267    HA   LEU  63           HA       LEU  63  12.282  10.518   9.060
  268    HB2  LEU  63           HB2      LEU  63  10.619   8.750   7.295
  269    HB3  LEU  63           HB3      LEU  63  12.061   8.238   8.155
  270    HG   LEU  63           HG       LEU  63   9.480   9.174   9.414
  271   HD11  LEU  63          HD11      LEU  63  10.766   6.450   9.299
  272   HD12  LEU  63          HD12      LEU  63   9.297   6.865  10.184
  273   HD13  LEU  63          HD13      LEU  63   9.320   6.955   8.422
  274   HD21  LEU  63          HD21      LEU  63  12.015   8.163  10.699
  275   HD22  LEU  63          HD22      LEU  63  11.435   9.829  10.733
  276   HD23  LEU  63          HD23      LEU  63  10.512   8.558  11.534
  277    H    GLY  64           HN       GLY  64  11.632  12.190   6.477
  278    HA2  GLY  64           HA1      GLY  64  12.880  12.857   4.668
  279    HA3  GLY  64           HA2      GLY  64  14.238  12.006   5.400
  280    H    ILE  65           HN       ILE  65  11.293  10.341   4.789
  281    HA   ILE  65           HA       ILE  65  12.656   8.586   2.985
  282    HB   ILE  65           HB       ILE  65   9.787   8.527   3.929
  283   HG12  ILE  65          HG12      ILE  65  12.241   6.966   4.763
  284   HG13  ILE  65          HG13      ILE  65  11.284   8.059   5.757
  285   HG21  ILE  65          HG21      ILE  65  11.342   6.488   2.327
  286   HG22  ILE  65          HG22      ILE  65   9.725   6.251   2.991
  287   HG23  ILE  65          HG23      ILE  65   9.997   7.472   1.746
  288   HD11  ILE  65          HD11      ILE  65  10.406   5.398   4.652
  289   HD12  ILE  65          HD12      ILE  65  10.793   5.771   6.332
  290   HD13  ILE  65          HD13      ILE  65   9.382   6.506   5.572
  291    HA   PRO  66           HA       PRO  66  11.559  10.932  -0.697
  292    HB2  PRO  66           HB2      PRO  66  11.675   8.171  -1.803
  293    HB3  PRO  66           HB3      PRO  66  12.445   9.647  -2.388
  294    HG2  PRO  66           HG2      PRO  66  13.813   7.731  -1.091
  295    HG3  PRO  66           HG3      PRO  66  14.219   9.451  -0.944
  296    HD2  PRO  66           HD2      PRO  66  12.950   7.637   1.002
  297    HD3  PRO  66           HD3      PRO  66  13.869   9.129   1.277
  298    H    LYS  67           HN       LYS  67   9.513  11.463  -1.238
  299    HA   LYS  67           HA       LYS  67   7.241  10.062  -0.423
  300    HB2  LYS  67           HB2      LYS  67   6.013  11.590  -2.005
  301    HB3  LYS  67           HB3      LYS  67   7.069  12.406  -0.857
  302    HG2  LYS  67           HG2      LYS  67   8.691  12.842  -2.498
  303    HG3  LYS  67           HG3      LYS  67   7.944  11.723  -3.647
  304    HD2  LYS  67           HD2      LYS  67   5.983  13.196  -3.782
  305    HD3  LYS  67           HD3      LYS  67   6.751  14.317  -2.657
  306    HE2  LYS  67           HE2      LYS  67   7.018  15.087  -4.943
  307    HE3  LYS  67           HE3      LYS  67   8.580  14.651  -4.252
  308    HZ1  LYS  67           HZ1      LYS  67   8.316  13.841  -6.526
  309    HZ2  LYS  67           HZ2      LYS  67   6.971  12.930  -6.064
  310    HZ3  LYS  67           HZ3      LYS  67   8.502  12.554  -5.437
  311    H    ASP  68           HN       ASP  68   8.991   9.984  -3.461
  312    HA   ASP  68           HA       ASP  68   7.047   8.329  -4.803
  313    HB2  ASP  68           HB2      ASP  68   9.941   8.567  -5.618
  314    HB3  ASP  68           HB3      ASP  68   8.533   8.328  -6.641
  315    HA   PRO  69           HA       PRO  69   8.947   4.589  -3.259
  316    HB2  PRO  69           HB2      PRO  69   7.413   2.816  -4.456
  317    HB3  PRO  69           HB3      PRO  69   6.686   3.987  -3.348
  318    HG2  PRO  69           HG2      PRO  69   6.675   3.938  -6.334
  319    HG3  PRO  69           HG3      PRO  69   5.392   4.432  -5.216
  320    HD2  PRO  69           HD2      PRO  69   7.231   6.135  -6.533
  321    HD3  PRO  69           HD3      PRO  69   6.130   6.587  -5.214
  322    H    ARG  70           HN       ARG  70   9.745   5.866  -6.085
  323    HA   ARG  70           HA       ARG  70  10.560   3.446  -7.500
  324    HB2  ARG  70           HB2      ARG  70  11.221   6.105  -8.626
  325    HB3  ARG  70           HB3      ARG  70  10.536   4.692  -9.411
  326    HG2  ARG  70           HG2      ARG  70   8.913   6.349  -7.518
  327    HG3  ARG  70           HG3      ARG  70   9.104   6.811  -9.206
  328    HD2  ARG  70           HD2      ARG  70   8.101   4.093  -8.349
  329    HD3  ARG  70           HD3      ARG  70   7.035   5.476  -8.628
  330    HE   ARG  70           HE       ARG  70   8.673   4.120 -10.676
  331   HH11  ARG  70          HH12      ARG  70   6.098   6.344  -9.826
  332   HH12  ARG  70          HH11      ARG  70   5.452   6.420 -11.429
  333   HH21  ARG  70          HH22      ARG  70   7.815   4.211 -12.793
  334   HH22  ARG  70          HH21      ARG  70   6.440   5.223 -13.119
  335    H    GLN  71           HN       GLN  71  11.919   4.997  -5.087
  336    HA   GLN  71           HA       GLN  71  14.663   4.599  -6.018
  337    HB2  GLN  71           HB2      GLN  71  15.421   6.811  -5.681
  338    HB3  GLN  71           HB3      GLN  71  13.899   7.000  -6.544
  339    HG2  GLN  71           HG2      GLN  71  14.292   7.299  -3.577
  340    HG3  GLN  71           HG3      GLN  71  14.097   8.609  -4.741
  341   HE21  GLN  71          HE21      GLN  71  12.502   5.892  -3.184
  342   HE22  GLN  71          HE22      GLN  71  10.881   6.445  -3.467
  343    H    TRP  72           HN       TRP  72  12.710   3.692  -3.840
  344    HA   TRP  72           HA       TRP  72  13.769   4.597  -1.375
  345    HB2  TRP  72           HB2      TRP  72  11.777   2.564  -2.304
  346    HB3  TRP  72           HB3      TRP  72  12.391   2.432  -0.657
  347    HD1  TRP  72           HD1      TRP  72  12.372   5.929  -0.817
  348    HE1  TRP  72           HE1      TRP  72  10.108   6.962  -0.150
  349    HE3  TRP  72           HE3      TRP  72   9.438   1.786  -1.242
  350    HZ2  TRP  72           HZ2      TRP  72   7.430   6.110   0.165
  351    HZ3  TRP  72           HZ3      TRP  72   7.045   1.974  -0.740
  352    HH2  TRP  72           HH2      TRP  72   6.060   4.084  -0.056
  353    H    THR  73           HN       THR  73  14.916   3.354   0.177
  354    HA   THR  73           HA       THR  73  16.547   1.180  -0.749
  355    HB   THR  73           HB       THR  73  17.221   1.056   1.661
  356    HG1  THR  73           HG1      THR  73  16.359   2.664   3.067
  357   HG21  THR  73          HG21      THR  73  18.365   3.199   1.753
  358   HG22  THR  73          HG22      THR  73  17.263   3.868   0.550
  359   HG23  THR  73          HG23      THR  73  18.388   2.584   0.098
  360    H    GLU  74           HN       GLU  74  16.423  -0.965   0.561
  361    HA   GLU  74           HA       GLU  74  13.733  -1.877   0.462
  362    HB2  GLU  74           HB2      GLU  74  14.809  -3.945   1.726
  363    HB3  GLU  74           HB3      GLU  74  15.013  -3.687   0.006
  364    HG2  GLU  74           HG2      GLU  74  17.113  -4.305   0.801
  365    HG3  GLU  74           HG3      GLU  74  17.215  -2.568   0.583
  366    H    THR  75           HN       THR  75  15.532  -0.286   2.839
  367    HA   THR  75           HA       THR  75  13.962  -1.093   5.092
  368    HB   THR  75           HB       THR  75  15.249   1.599   5.006
  369    HG1  THR  75           HG1      THR  75  17.004  -0.450   5.597
  370   HG21  THR  75          HG21      THR  75  14.186   0.768   7.053
  371   HG22  THR  75          HG22      THR  75  15.925   0.965   7.274
  372   HG23  THR  75          HG23      THR  75  15.244  -0.643   7.032
  373    H    HIS  76           HN       HIS  76  13.846   1.513   2.695
  374    HA   HIS  76           HA       HIS  76  11.793   3.000   4.046
  375    HB2  HIS  76           HB2      HIS  76  13.017   3.212   1.295
  376    HB3  HIS  76           HB3      HIS  76  11.673   4.229   1.800
  377    HD1  HIS  76           HD1      HIS  76  14.772   5.044   1.133
  378    HD2  HIS  76           HD2      HIS  76  12.863   4.924   4.826
  379    HE1  HIS  76           HE1      HIS  76  16.064   6.595   2.607
  380    HE2  HIS  76           HE2      HIS  76  14.878   6.542   4.840
  381    H    VAL  77           HN       VAL  77  11.939   0.670   1.426
  382    HA   VAL  77           HA       VAL  77   9.252   0.827   0.656
  383    HB   VAL  77           HB       VAL  77  11.301  -1.370   0.358
  384   HG11  VAL  77          HG11      VAL  77   9.739  -2.457  -1.185
  385   HG12  VAL  77          HG12      VAL  77   9.108  -2.406   0.462
  386   HG13  VAL  77          HG13      VAL  77   8.501  -1.279  -0.751
  387   HG21  VAL  77          HG21      VAL  77  10.078   0.557  -1.633
  388   HG22  VAL  77          HG22      VAL  77  11.704   0.659  -0.957
  389   HG23  VAL  77          HG23      VAL  77  11.269  -0.692  -2.009
  390    H    ARG  78           HN       ARG  78  10.961  -1.467   2.835
  391    HA   ARG  78           HA       ARG  78   8.643  -2.849   3.621
  392    HB2  ARG  78           HB2      ARG  78  11.260  -2.446   5.053
  393    HB3  ARG  78           HB3      ARG  78   9.985  -3.502   5.648
  394    HG2  ARG  78           HG2      ARG  78  10.135  -4.809   3.556
  395    HG3  ARG  78           HG3      ARG  78  11.483  -3.786   3.049
  396    HD2  ARG  78           HD2      ARG  78  12.616  -4.463   5.222
  397    HD3  ARG  78           HD3      ARG  78  11.357  -5.691   5.375
  398    HE   ARG  78           HE       ARG  78  12.179  -6.706   3.362
  399   HH11  ARG  78          HH12      ARG  78  14.210  -4.239   4.788
  400   HH12  ARG  78          HH11      ARG  78  15.655  -4.752   3.961
  401   HH21  ARG  78          HH22      ARG  78  14.074  -7.413   2.286
  402   HH22  ARG  78          HH21      ARG  78  15.576  -6.582   2.537
  403    H    ASP  79           HN       ASP  79  10.037   0.136   4.765
  404    HA   ASP  79           HA       ASP  79   8.673   0.569   7.146
  405    HB2  ASP  79           HB2      ASP  79  10.174   2.103   5.269
  406    HB3  ASP  79           HB3      ASP  79   8.686   2.992   5.601
  407    H    TRP  80           HN       TRP  80   7.785   1.495   3.862
  408    HA   TRP  80           HA       TRP  80   5.205   2.472   4.579
  409    HB2  TRP  80           HB2      TRP  80   6.070   3.553   2.737
  410    HB3  TRP  80           HB3      TRP  80   6.882   2.110   2.146
  411    HD1  TRP  80           HD1      TRP  80   3.576   3.976   1.926
  412    HE1  TRP  80           HE1      TRP  80   2.248   2.966  -0.035
  413    HE3  TRP  80           HE3      TRP  80   6.532  -0.053   0.911
  414    HZ2  TRP  80           HZ2      TRP  80   2.420   0.753  -1.764
  415    HZ3  TRP  80           HZ3      TRP  80   5.884  -1.571  -0.907
  416    HH2  TRP  80           HH2      TRP  80   3.866  -1.176  -2.210
  417    H    VAL  81           HN       VAL  81   6.611  -0.487   3.541
  418    HA   VAL  81           HA       VAL  81   4.375  -1.849   2.522
  419    HB   VAL  81           HB       VAL  81   7.088  -2.576   3.513
  420   HG11  VAL  81          HG11      VAL  81   4.978  -4.675   3.074
  421   HG12  VAL  81          HG12      VAL  81   6.703  -4.960   3.309
  422   HG13  VAL  81          HG13      VAL  81   5.738  -4.274   4.614
  423   HG21  VAL  81          HG21      VAL  81   5.532  -3.229   1.022
  424   HG22  VAL  81          HG22      VAL  81   6.778  -1.991   1.195
  425   HG23  VAL  81          HG23      VAL  81   7.204  -3.699   1.328
  426    H    MET  82           HN       MET  82   5.962  -2.083   5.679
  427    HA   MET  82           HA       MET  82   3.828  -3.583   6.790
  428    HB2  MET  82           HB2      MET  82   4.965  -3.396   8.904
  429    HB3  MET  82           HB3      MET  82   6.104  -3.793   7.627
  430    HG2  MET  82           HG2      MET  82   6.794  -1.435   7.539
  431    HG3  MET  82           HG3      MET  82   5.702  -1.091   8.883
  432    HE1  MET  82           HE1      MET  82   7.301  -3.532  11.610
  433    HE2  MET  82           HE2      MET  82   5.906  -2.522  11.229
  434    HE3  MET  82           HE3      MET  82   6.166  -4.032  10.354
  435    H    TRP  83           HN       TRP  83   4.143  -0.185   6.251
  436    HA   TRP  83           HA       TRP  83   2.598   0.587   8.529
  437    HB2  TRP  83           HB2      TRP  83   3.938   2.278   7.383
  438    HB3  TRP  83           HB3      TRP  83   3.010   2.055   5.900
  439    HD1  TRP  83           HD1      TRP  83   2.698   3.529   9.422
  440    HE1  TRP  83           HE1      TRP  83   0.695   5.143   9.451
  441    HE3  TRP  83           HE3      TRP  83   0.840   2.588   4.763
  442    HZ2  TRP  83           HZ2      TRP  83  -1.398   5.915   7.713
  443    HZ3  TRP  83           HZ3      TRP  83  -1.159   3.804   4.019
  444    HH2  TRP  83           HH2      TRP  83  -2.249   5.429   5.464
  445    H    ALA  84           HN       ALA  84   1.589   0.347   5.071
  446    HA   ALA  84           HA       ALA  84  -1.140   0.744   5.669
  447    HB1  ALA  84           HB1      ALA  84  -0.291   0.919   3.379
  448    HB2  ALA  84           HB2      ALA  84   0.045  -0.813   3.362
  449    HB3  ALA  84           HB3      ALA  84  -1.620  -0.239   3.474
  450    H    VAL  85           HN       VAL  85   0.893  -2.063   5.517
  451    HA   VAL  85           HA       VAL  85  -0.895  -4.092   6.102
  452    HB   VAL  85           HB       VAL  85   2.025  -3.632   6.487
  453   HG11  VAL  85          HG11      VAL  85   1.479  -4.749   8.571
  454   HG12  VAL  85          HG12      VAL  85   0.604  -6.001   7.693
  455   HG13  VAL  85          HG13      VAL  85   2.348  -5.841   7.494
  456   HG21  VAL  85          HG21      VAL  85   1.183  -4.372   4.357
  457   HG22  VAL  85          HG22      VAL  85   2.159  -5.643   5.095
  458   HG23  VAL  85          HG23      VAL  85   0.399  -5.757   5.118
  459    H    ASN  86           HN       ASN  86   1.055  -2.229   8.522
  460    HA   ASN  86           HA       ASN  86  -0.112  -3.654  10.646
  461    HB2  ASN  86           HB2      ASN  86   1.254  -2.539  12.071
  462    HB3  ASN  86           HB3      ASN  86   2.106  -2.297  10.559
  463   HD21  ASN  86          HD21      ASN  86   0.335  -0.245   9.564
  464   HD22  ASN  86          HD22      ASN  86   0.650   1.170  10.523
  465    H    GLU  87           HN       GLU  87  -1.267  -1.063   8.850
  466    HA   GLU  87           HA       GLU  87  -2.908   0.138  10.904
  467    HB2  GLU  87           HB2      GLU  87  -2.043   1.458   8.983
  468    HB3  GLU  87           HB3      GLU  87  -2.973   0.447   7.886
  469    HG2  GLU  87           HG2      GLU  87  -4.081   2.564   8.267
  470    HG3  GLU  87           HG3      GLU  87  -5.043   1.232   8.910
  471    H    PHE  88           HN       PHE  88  -3.144  -2.038   8.220
  472    HA   PHE  88           HA       PHE  88  -5.932  -2.662   8.631
  473    HB2  PHE  88           HB2      PHE  88  -3.767  -3.345   6.718
  474    HB3  PHE  88           HB3      PHE  88  -5.078  -4.518   6.909
  475    HD1  PHE  88           HD1      PHE  88  -7.414  -3.860   6.417
  476    HD2  PHE  88           HD2      PHE  88  -4.117  -1.304   5.582
  477    HE1  PHE  88           HE1      PHE  88  -8.824  -2.536   4.908
  478    HE2  PHE  88           HE2      PHE  88  -5.528   0.022   4.064
  479    HZ   PHE  88           HZ       PHE  88  -7.909  -0.598   3.748
  480    H    SER  89           HN       SER  89  -3.324  -3.383  10.377
  481    HA   SER  89           HA       SER  89  -2.644  -5.031  11.777
  482    HB2  SER  89           HB2      SER  89  -5.445  -6.127  11.415
  483    HB3  SER  89           HB3      SER  89  -4.352  -6.444  12.765
  484    HG   SER  89           HG       SER  89  -4.922  -3.778  12.194
  485    H    LEU  90           HN       LEU  90  -1.999  -5.365   9.050
  486    HA   LEU  90           HA       LEU  90  -2.478  -8.180   8.399
  487    HB2  LEU  90           HB2      LEU  90  -0.769  -6.319   6.784
  488    HB3  LEU  90           HB3      LEU  90  -1.704  -7.699   6.239
  489    HG   LEU  90           HG       LEU  90  -2.876  -5.062   7.144
  490   HD11  LEU  90          HD11      LEU  90  -1.518  -4.921   5.094
  491   HD12  LEU  90          HD12      LEU  90  -2.512  -6.182   4.366
  492   HD13  LEU  90          HD13      LEU  90  -3.235  -4.630   4.798
  493   HD21  LEU  90          HD21      LEU  90  -4.936  -5.955   6.135
  494   HD22  LEU  90          HD22      LEU  90  -4.115  -7.474   5.779
  495   HD23  LEU  90          HD23      LEU  90  -4.379  -6.985   7.452
  496    H    LYS  91           HN       LYS  91  -0.613  -6.979  10.552
  497    HA   LYS  91           HA       LYS  91   2.035  -7.346   9.892
  498    HB2  LYS  91           HB2      LYS  91   0.733  -7.871  12.560
  499    HB3  LYS  91           HB3      LYS  91   2.444  -7.571  12.291
  500    HG2  LYS  91           HG2      LYS  91   1.878  -5.328  11.418
  501    HG3  LYS  91           HG3      LYS  91   0.186  -5.637  11.809
  502    HD2  LYS  91           HD2      LYS  91   2.481  -5.569  13.768
  503    HD3  LYS  91           HD3      LYS  91   1.261  -4.313  13.553
  504    HE2  LYS  91           HE2      LYS  91  -0.480  -5.900  14.236
  505    HE3  LYS  91           HE3      LYS  91   0.747  -7.146  14.455
  506    HZ1  LYS  91           HZ1      LYS  91   1.804  -5.571  16.092
  507    HZ2  LYS  91           HZ2      LYS  91   0.338  -6.272  16.573
  508    HZ3  LYS  91           HZ3      LYS  91   0.368  -4.667  16.029
  509    H    GLY  92           HN       GLY  92   1.248  -9.369   8.479
  510    HA2  GLY  92           HA1      GLY  92   2.839 -11.495   9.655
  511    HA3  GLY  92           HA2      GLY  92   1.261 -11.910   8.973
  512    H    VAL  93           HN       VAL  93   3.239  -9.319   7.845
  513    HA   VAL  93           HA       VAL  93   3.263 -10.297   5.133
  514    HB   VAL  93           HB       VAL  93   3.469  -7.755   6.433
  515   HG11  VAL  93          HG11      VAL  93   5.887  -7.944   6.250
  516   HG12  VAL  93          HG12      VAL  93   5.739  -8.298   4.528
  517   HG13  VAL  93          HG13      VAL  93   5.264  -6.717   5.147
  518   HG21  VAL  93          HG21      VAL  93   3.454  -8.465   3.511
  519   HG22  VAL  93          HG22      VAL  93   2.022  -8.362   4.547
  520   HG23  VAL  93          HG23      VAL  93   2.988  -6.920   4.227
  521    H    ASP  94           HN       ASP  94   5.017 -11.152   4.076
  522    HA   ASP  94           HA       ASP  94   7.237 -11.908   5.768
  523    HB2  ASP  94           HB2      ASP  94   6.205 -13.454   4.019
  524    HB3  ASP  94           HB3      ASP  94   6.975 -12.431   2.805
  525    H    PHE  95           HN       PHE  95   8.443 -10.187   6.201
  526    HA   PHE  95           HA       PHE  95   8.693  -7.925   4.587
  527    HB2  PHE  95           HB2      PHE  95  10.458  -8.945   6.821
  528    HB3  PHE  95           HB3      PHE  95  10.640  -7.357   6.086
  529    HD1  PHE  95           HD2      PHE  95   8.320  -9.503   8.000
  530    HD2  PHE  95           HD1      PHE  95   9.300  -5.550   6.767
  531    HE1  PHE  95           HE2      PHE  95   6.653  -8.602   9.565
  532    HE2  PHE  95           HE1      PHE  95   7.636  -4.643   8.335
  533    HZ   PHE  95           HZ       PHE  95   6.328  -6.148   9.745
  534    H    GLN  96           HN       GLN  96  10.292 -10.946   4.493
  535    HA   GLN  96           HA       GLN  96  12.606  -9.939   3.076
  536    HB2  GLN  96           HB2      GLN  96  11.786 -12.776   3.667
  537    HB3  GLN  96           HB3      GLN  96  13.333 -12.266   3.010
  538    HG2  GLN  96           HG2      GLN  96  12.232 -11.714   5.751
  539    HG3  GLN  96           HG3      GLN  96  13.640 -12.686   5.327
  540   HE21  GLN  96          HE21      GLN  96  14.586 -10.753   3.347
  541   HE22  GLN  96          HE22      GLN  96  15.230  -9.413   4.236
  542    H    LYS  97           HN       LYS  97   9.553 -11.503   2.311
  543    HA   LYS  97           HA       LYS  97  10.252 -11.880  -0.447
  544    HB2  LYS  97           HB2      LYS  97   8.214 -12.855   1.036
  545    HB3  LYS  97           HB3      LYS  97   7.401 -11.459   0.339
  546    HG2  LYS  97           HG2      LYS  97   8.778 -13.607  -1.268
  547    HG3  LYS  97           HG3      LYS  97   7.050 -13.560  -0.931
  548    HD2  LYS  97           HD2      LYS  97   6.878 -11.414  -2.095
  549    HD3  LYS  97           HD3      LYS  97   8.611 -11.445  -2.413
  550    HE2  LYS  97           HE2      LYS  97   6.558 -13.398  -3.448
  551    HE3  LYS  97           HE3      LYS  97   7.375 -12.147  -4.381
  552    HZ1  LYS  97           HZ1      LYS  97   9.507 -13.344  -3.692
  553    HZ2  LYS  97           HZ2      LYS  97   8.536 -14.083  -4.867
  554    HZ3  LYS  97           HZ3      LYS  97   8.498 -14.644  -3.273
  555    H    PHE  98           HN       PHE  98   9.191  -9.416   1.647
  556    HA   PHE  98           HA       PHE  98   8.422  -7.536  -0.402
  557    HB2  PHE  98           HB2      PHE  98   8.448  -7.601   2.574
  558    HB3  PHE  98           HB3      PHE  98   8.500  -6.025   1.785
  559    HD1  PHE  98           HD1      PHE  98   6.681  -5.258   0.433
  560    HD2  PHE  98           HD2      PHE  98   6.474  -8.990   2.462
  561    HE1  PHE  98           HE1      PHE  98   4.259  -5.309   0.071
  562    HE2  PHE  98           HE2      PHE  98   4.052  -9.057   2.081
  563    HZ   PHE  98           HZ       PHE  98   2.941  -7.218   0.892
  564    H    CYS  99           HN       CYS  99  11.168  -8.692  -0.245
  565    HA   CYS  99           HA       CYS  99  12.932  -6.581   0.530
  566    HB2  CYS  99           HB2      CYS  99  13.499  -9.050   0.426
  567    HB3  CYS  99           HB3      CYS  99  13.487  -8.886  -1.330
  568    HG   CYS  99           HG       CYS  99  15.776  -7.645  -1.615
  569    H    MET 100           HN       MET 100  11.782  -4.887  -0.730
  570    HA   MET 100           HA       MET 100  12.944  -4.813  -3.425
  571    HB2  MET 100           HB2      MET 100  10.371  -3.609  -2.430
  572    HB3  MET 100           HB3      MET 100  11.158  -3.046  -3.897
  573    HG2  MET 100           HG2      MET 100   9.589  -4.519  -4.686
  574    HG3  MET 100           HG3      MET 100  11.055  -5.507  -4.625
  575    HE1  MET 100           HE1      MET 100   7.729  -5.709  -1.430
  576    HE2  MET 100           HE2      MET 100   8.877  -4.373  -1.539
  577    HE3  MET 100           HE3      MET 100   7.690  -4.621  -2.818
  578    H    SER 101           HN       SER 101  14.465  -3.367  -3.702
  579    HA   SER 101           HA       SER 101  14.572  -0.922  -2.182
  580    HB2  SER 101           HB2      SER 101  15.755  -1.532  -4.917
  581    HB3  SER 101           HB3      SER 101  16.225  -0.219  -3.839
  582    HG   SER 101           HG       SER 101  16.465  -2.983  -3.214
  583    H    GLY 102           HN       GLY 102  13.861   1.177  -3.208
  584    HA2  GLY 102           HA1      GLY 102  11.211   1.014  -3.948
  585    HA3  GLY 102           HA2      GLY 102  12.218   2.410  -4.248
  586    H    ALA 103           HN       ALA 103  13.997   1.422  -6.183
  587    HA   ALA 103           HA       ALA 103  12.530   1.570  -8.537
  588    HB1  ALA 103           HB1      ALA 103  15.208   0.245  -8.114
  589    HB2  ALA 103           HB2      ALA 103  14.549   0.773  -9.662
  590    HB3  ALA 103           HB3      ALA 103  14.946   1.962  -8.423
  591    H    ALA 104           HN       ALA 104  13.545  -1.201  -6.653
  592    HA   ALA 104           HA       ALA 104  12.505  -3.179  -8.418
  593    HB1  ALA 104           HB1      ALA 104  14.277  -3.683  -6.804
  594    HB2  ALA 104           HB2      ALA 104  13.159  -3.365  -5.476
  595    HB3  ALA 104           HB3      ALA 104  12.876  -4.725  -6.565
  596    H    LEU 105           HN       LEU 105  11.312  -1.655  -5.370
  597    HA   LEU 105           HA       LEU 105   8.943  -2.801  -5.018
  598    HB2  LEU 105           HB2      LEU 105   9.809  -0.979  -3.632
  599    HB3  LEU 105           HB3      LEU 105   9.503   0.174  -4.926
  600    HG   LEU 105           HG       LEU 105   7.087  -0.406  -4.783
  601   HD11  LEU 105          HD11      LEU 105   6.327  -1.511  -2.695
  602   HD12  LEU 105          HD12      LEU 105   7.196  -2.583  -3.800
  603   HD13  LEU 105          HD13      LEU 105   8.006  -1.943  -2.368
  604   HD21  LEU 105          HD21      LEU 105   8.290   0.610  -2.225
  605   HD22  LEU 105          HD22      LEU 105   8.021   1.565  -3.686
  606   HD23  LEU 105          HD23      LEU 105   6.646   0.892  -2.810
  607    H    CYS 106           HN       CYS 106   9.412  -0.044  -7.118
  608    HA   CYS 106           HA       CYS 106   6.907  -0.112  -8.324
  609    HB2  CYS 106           HB2      CYS 106   8.363   1.808  -8.442
  610    HB3  CYS 106           HB3      CYS 106   9.555   0.885  -9.350
  611    HG   CYS 106           HG       CYS 106   6.434   1.250 -10.655
  612    H    ALA 107           HN       ALA 107  10.003  -1.488  -9.457
  613    HA   ALA 107           HA       ALA 107   9.257  -2.378 -11.919
  614    HB1  ALA 107           HB1      ALA 107  11.139  -3.871 -11.833
  615    HB2  ALA 107           HB2      ALA 107  11.544  -2.344 -11.049
  616    HB3  ALA 107           HB3      ALA 107  11.179  -3.765 -10.072
  617    H    LEU 108           HN       LEU 108   8.442  -3.985  -8.864
  618    HA   LEU 108           HA       LEU 108   8.019  -6.531  -9.935
  619    HB2  LEU 108           HB2      LEU 108   6.291  -6.736  -7.992
  620    HB3  LEU 108           HB3      LEU 108   8.003  -6.639  -7.658
  621    HG   LEU 108           HG       LEU 108   7.653  -4.166  -7.211
  622   HD11  LEU 108          HD11      LEU 108   5.532  -3.763  -8.269
  623   HD12  LEU 108          HD12      LEU 108   4.747  -4.993  -7.276
  624   HD13  LEU 108          HD13      LEU 108   5.352  -3.504  -6.535
  625   HD21  LEU 108          HD21      LEU 108   8.010  -5.812  -5.470
  626   HD22  LEU 108          HD22      LEU 108   6.841  -4.597  -4.951
  627   HD23  LEU 108          HD23      LEU 108   6.287  -6.194  -5.457
  628    H    GLY 109           HN       GLY 109   5.827  -3.761  -9.827
  629    HA2  GLY 109           HA1      GLY 109   3.913  -3.406 -11.084
  630    HA3  GLY 109           HA2      GLY 109   4.165  -4.972 -11.844
  631    H    LYS 110           HN       LYS 110   1.653  -4.006 -11.003
  632    HA   LYS 110           HA       LYS 110   0.715  -4.718  -8.551
  633    HB2  LYS 110           HB2      LYS 110  -1.209  -4.109  -9.501
  634    HB3  LYS 110           HB3      LYS 110  -0.418  -4.120 -11.066
  635    HG2  LYS 110           HG2      LYS 110  -2.271  -5.468 -11.398
  636    HG3  LYS 110           HG3      LYS 110  -0.986  -6.630 -11.088
  637    HD2  LYS 110           HD2      LYS 110  -1.877  -6.247  -8.584
  638    HD3  LYS 110           HD3      LYS 110  -3.364  -5.967  -9.493
  639    HE2  LYS 110           HE2      LYS 110  -1.608  -8.423  -9.744
  640    HE3  LYS 110           HE3      LYS 110  -3.104  -8.334  -8.818
  641    HZ1  LYS 110           HZ1      LYS 110  -2.824  -8.010 -11.758
  642    HZ2  LYS 110           HZ2      LYS 110  -4.271  -7.772 -10.903
  643    HZ3  LYS 110           HZ3      LYS 110  -3.549  -9.308 -10.945
  644    H    GLU 111           HN       GLU 111   0.935  -6.992 -11.329
  645    HA   GLU 111           HA       GLU 111  -0.289  -9.115 -10.021
  646    HB2  GLU 111           HB2      GLU 111   0.192  -8.873 -12.492
  647    HB3  GLU 111           HB3      GLU 111   1.828  -9.416 -12.143
  648    HG2  GLU 111           HG2      GLU 111   1.026 -11.532 -11.367
  649    HG3  GLU 111           HG3      GLU 111  -0.647 -10.993 -11.486
  650    H    CYS 112           HN       CYS 112   3.096  -8.207 -10.116
  651    HA   CYS 112           HA       CYS 112   3.984 -10.593  -8.816
  652    HB2  CYS 112           HB2      CYS 112   5.445  -9.216 -10.306
  653    HB3  CYS 112           HB3      CYS 112   5.460  -7.967  -9.065
  654    HG   CYS 112           HG       CYS 112   6.358 -10.998  -7.965
  655    H    PHE 113           HN       PHE 113   3.590  -7.194  -7.758
  656    HA   PHE 113           HA       PHE 113   4.236  -7.508  -5.114
  657    HB2  PHE 113           HB2      PHE 113   3.535  -5.377  -6.439
  658    HB3  PHE 113           HB3      PHE 113   1.911  -5.763  -5.885
  659    HD1  PHE 113           HD2      PHE 113   1.679  -6.215  -3.343
  660    HD2  PHE 113           HD1      PHE 113   4.910  -4.030  -5.083
  661    HE1  PHE 113           HE2      PHE 113   2.171  -5.210  -1.167
  662    HE2  PHE 113           HE1      PHE 113   5.400  -3.042  -2.893
  663    HZ   PHE 113           HZ       PHE 113   4.043  -3.640  -0.933
  664    H    LEU 114           HN       LEU 114   1.078  -8.169  -6.620
  665    HA   LEU 114           HA       LEU 114  -0.078  -8.754  -4.056
  666    HB2  LEU 114           HB2      LEU 114  -1.350  -9.669  -6.588
  667    HB3  LEU 114           HB3      LEU 114  -2.096  -9.150  -5.090
  668    HG   LEU 114           HG       LEU 114  -1.107  -7.543  -7.381
  669   HD11  LEU 114          HD11      LEU 114  -3.465  -7.395  -5.519
  670   HD12  LEU 114          HD12      LEU 114  -3.159  -6.282  -6.855
  671   HD13  LEU 114          HD13      LEU 114  -3.455  -7.988  -7.180
  672   HD21  LEU 114          HD21      LEU 114   0.163  -6.717  -5.390
  673   HD22  LEU 114          HD22      LEU 114  -0.897  -5.533  -6.167
  674   HD23  LEU 114          HD23      LEU 114  -1.390  -6.309  -4.660
  675    H    GLU 115           HN       GLU 115   1.584 -10.536  -6.492
  676    HA   GLU 115           HA       GLU 115   0.992 -13.080  -5.316
  677    HB2  GLU 115           HB2      GLU 115   2.986 -12.124  -7.342
  678    HB3  GLU 115           HB3      GLU 115   3.121 -13.737  -6.655
  679    HG2  GLU 115           HG2      GLU 115   0.759 -12.640  -8.162
  680    HG3  GLU 115           HG3      GLU 115   1.946 -13.800  -8.767
  681    H    LEU 116           HN       LEU 116   2.743 -10.452  -4.459
  682    HA   LEU 116           HA       LEU 116   5.001 -11.821  -3.248
  683    HB2  LEU 116           HB2      LEU 116   5.798 -10.004  -4.351
  684    HB3  LEU 116           HB3      LEU 116   4.317  -9.090  -4.147
  685    HG   LEU 116           HG       LEU 116   5.895  -9.474  -1.694
  686   HD11  LEU 116          HD11      LEU 116   7.492  -7.718  -2.318
  687   HD12  LEU 116          HD12      LEU 116   7.696  -9.171  -3.296
  688   HD13  LEU 116          HD13      LEU 116   6.873  -7.764  -3.970
  689   HD21  LEU 116          HD21      LEU 116   3.882  -8.111  -1.789
  690   HD22  LEU 116          HD22      LEU 116   5.301  -7.135  -1.405
  691   HD23  LEU 116          HD23      LEU 116   4.626  -7.105  -3.033
  692    H    ALA 117           HN       ALA 117   2.021 -10.278  -2.404
  693    HA   ALA 117           HA       ALA 117   2.454 -11.118   0.392
  694    HB1  ALA 117           HB1      ALA 117   1.125  -9.207   1.180
  695    HB2  ALA 117           HB2      ALA 117   2.561  -8.661   0.308
  696    HB3  ALA 117           HB3      ALA 117   0.983  -8.619  -0.479
  697    HA   PRO 118           HA       PRO 118  -1.777 -12.924   0.202
  698    HB2  PRO 118           HB2      PRO 118  -2.682 -10.640   1.904
  699    HB3  PRO 118           HB3      PRO 118  -3.031 -12.362   2.068
  700    HG2  PRO 118           HG2      PRO 118  -1.257 -11.183   3.667
  701    HG3  PRO 118           HG3      PRO 118  -0.982 -12.826   3.052
  702    HD2  PRO 118           HD2      PRO 118   0.296 -10.262   2.250
  703    HD3  PRO 118           HD3      PRO 118   0.963 -11.907   2.252
  704    H    ASP 119           HN       ASP 119  -3.390 -12.599  -1.252
  705    HA   ASP 119           HA       ASP 119  -3.082 -10.719  -3.227
  706    HB2  ASP 119           HB2      ASP 119  -5.140 -11.487  -4.188
  707    HB3  ASP 119           HB3      ASP 119  -4.306 -12.857  -3.467
  708    H    PHE 120           HN       PHE 120  -4.790 -10.188  -0.233
  709    HA   PHE 120           HA       PHE 120  -6.200  -7.899  -1.346
  710    HB2  PHE 120           HB2      PHE 120  -7.411  -9.326   0.271
  711    HB3  PHE 120           HB3      PHE 120  -6.186  -8.962   1.480
  712    HD1  PHE 120           HD1      PHE 120  -7.612  -6.503  -0.895
  713    HD2  PHE 120           HD2      PHE 120  -7.572  -7.984   3.099
  714    HE1  PHE 120           HE1      PHE 120  -8.916  -4.553  -0.154
  715    HE2  PHE 120           HE2      PHE 120  -8.867  -6.033   3.841
  716    HZ   PHE 120           HZ       PHE 120  -9.540  -4.313   2.212
  717    H    VAL 121           HN       VAL 121  -3.576  -8.790   0.693
  718    HA   VAL 121           HA       VAL 121  -3.056  -6.190   1.732
  719    HB   VAL 121           HB       VAL 121  -1.411  -8.712   1.721
  720   HG11  VAL 121          HG11      VAL 121  -0.016  -6.753   2.089
  721   HG12  VAL 121          HG12      VAL 121  -1.108  -6.201   3.361
  722   HG13  VAL 121          HG13      VAL 121  -0.184  -7.690   3.576
  723   HG21  VAL 121          HG21      VAL 121  -3.212  -7.526   3.814
  724   HG22  VAL 121          HG22      VAL 121  -3.630  -8.873   2.749
  725   HG23  VAL 121          HG23      VAL 121  -2.321  -9.049   3.931
  726    H    GLY 122           HN       GLY 122  -1.615  -8.268  -0.770
  727    HA2  GLY 122           HA1      GLY 122   0.457  -6.610  -1.567
  728    HA3  GLY 122           HA2      GLY 122  -0.436  -7.697  -2.628
  729    H    ASP 123           HN       ASP 123  -2.978  -6.556  -2.515
  730    HA   ASP 123           HA       ASP 123  -2.590  -4.365  -4.323
  731    HB2  ASP 123           HB2      ASP 123  -4.345  -5.932  -4.831
  732    HB3  ASP 123           HB3      ASP 123  -5.097  -5.677  -3.257
  733    H    ILE 124           HN       ILE 124  -3.846  -4.765  -1.028
  734    HA   ILE 124           HA       ILE 124  -4.467  -2.159  -0.419
  735    HB   ILE 124           HB       ILE 124  -3.309  -4.408   1.170
  736   HG12  ILE 124          HG12      ILE 124  -5.781  -2.695   1.530
  737   HG13  ILE 124          HG13      ILE 124  -5.733  -4.219   0.645
  738   HG21  ILE 124          HG21      ILE 124  -3.689  -1.616   2.284
  739   HG22  ILE 124          HG22      ILE 124  -3.275  -3.058   3.212
  740   HG23  ILE 124          HG23      ILE 124  -2.136  -2.410   2.029
  741   HD11  ILE 124          HD11      ILE 124  -6.617  -4.468   2.917
  742   HD12  ILE 124          HD12      ILE 124  -5.144  -5.408   2.668
  743   HD13  ILE 124          HD13      ILE 124  -5.082  -3.889   3.565
  744    H    LEU 125           HN       LEU 125  -1.266  -3.629   0.063
  745    HA   LEU 125           HA       LEU 125   0.088  -1.221   0.420
  746    HB2  LEU 125           HB2      LEU 125   0.797  -4.023  -0.181
  747    HB3  LEU 125           HB3      LEU 125   2.020  -2.807  -0.538
  748    HG   LEU 125           HG       LEU 125   0.653  -3.075   2.127
  749   HD11  LEU 125          HD11      LEU 125   1.960  -5.080   1.644
  750   HD12  LEU 125          HD12      LEU 125   3.359  -4.077   1.263
  751   HD13  LEU 125          HD13      LEU 125   2.717  -4.108   2.906
  752   HD21  LEU 125          HD21      LEU 125   2.496  -1.636   2.867
  753   HD22  LEU 125          HD22      LEU 125   3.085  -1.548   1.206
  754   HD23  LEU 125          HD23      LEU 125   1.516  -0.858   1.623
  755    H    TRP 126           HN       TRP 126  -0.582  -3.083  -2.505
  756    HA   TRP 126           HA       TRP 126   0.999  -1.557  -4.244
  757    HB2  TRP 126           HB2      TRP 126   0.167  -3.667  -5.029
  758    HB3  TRP 126           HB3      TRP 126  -1.505  -3.165  -4.782
  759    HD1  TRP 126           HD1      TRP 126  -2.696  -2.149  -6.788
  760    HE1  TRP 126           HE1      TRP 126  -1.976  -1.198  -9.082
  761    HE3  TRP 126           HE3      TRP 126   2.364  -2.524  -6.254
  762    HZ2  TRP 126           HZ2      TRP 126   0.451  -0.717 -10.475
  763    HZ3  TRP 126           HZ3      TRP 126   3.814  -1.820  -8.112
  764    HH2  TRP 126           HH2      TRP 126   2.871  -0.939 -10.182
  765    H    GLU 127           HN       GLU 127  -2.366  -1.122  -3.170
  766    HA   GLU 127           HA       GLU 127  -2.993   1.086  -4.737
  767    HB2  GLU 127           HB2      GLU 127  -4.011  -0.053  -2.253
  768    HB3  GLU 127           HB3      GLU 127  -4.163   1.697  -2.312
  769    HG2  GLU 127           HG2      GLU 127  -5.224  -0.269  -4.313
  770    HG3  GLU 127           HG3      GLU 127  -6.160   0.677  -3.154
  771    H    HIS 128           HN       HIS 128  -1.698   1.129  -1.390
  772    HA   HIS 128           HA       HIS 128  -1.182   3.904  -1.470
  773    HB2  HIS 128           HB2      HIS 128  -1.110   2.377   0.614
  774    HB3  HIS 128           HB3      HIS 128   0.545   2.015   0.129
  775    HD1  HIS 128           HD1      HIS 128   0.715   3.258   2.677
  776    HD2  HIS 128           HD2      HIS 128   0.061   5.623  -0.685
  777    HE1  HIS 128           HE1      HIS 128   1.330   5.596   3.370
  778    HE2  HIS 128           HE2      HIS 128   0.909   7.029   1.336
  779    H    LEU 129           HN       LEU 129   0.800   1.159  -2.532
  780    HA   LEU 129           HA       LEU 129   3.147   2.493  -3.125
  781    HB2  LEU 129           HB2      LEU 129   2.877   0.077  -3.376
  782    HB3  LEU 129           HB3      LEU 129   1.710   0.311  -4.658
  783    HG   LEU 129           HG       LEU 129   3.331   0.818  -6.233
  784   HD11  LEU 129          HD11      LEU 129   5.556   1.620  -5.710
  785   HD12  LEU 129          HD12      LEU 129   4.346   2.634  -4.914
  786   HD13  LEU 129          HD13      LEU 129   5.241   1.433  -3.983
  787   HD21  LEU 129          HD21      LEU 129   4.830  -0.928  -4.286
  788   HD22  LEU 129          HD22      LEU 129   3.577  -1.497  -5.393
  789   HD23  LEU 129          HD23      LEU 129   5.079  -0.827  -6.029
  790    H    GLU 130           HN       GLU 130   0.266   2.022  -5.060
  791    HA   GLU 130           HA       GLU 130   1.060   3.655  -7.143
  792    HB2  GLU 130           HB2      GLU 130  -1.528   2.499  -6.196
  793    HB3  GLU 130           HB3      GLU 130  -1.595   3.796  -7.387
  794    HG2  GLU 130           HG2      GLU 130  -0.072   1.221  -7.696
  795    HG3  GLU 130           HG3      GLU 130  -1.648   1.579  -8.408
  796    H    ILE 131           HN       ILE 131  -0.946   4.287  -4.329
  797    HA   ILE 131           HA       ILE 131  -1.682   6.904  -4.777
  798    HB   ILE 131           HB       ILE 131  -1.376   5.187  -2.398
  799   HG12  ILE 131          HG12      ILE 131  -3.718   5.637  -2.102
  800   HG13  ILE 131          HG13      ILE 131  -3.656   7.004  -3.209
  801   HG21  ILE 131          HG21      ILE 131  -2.095   7.052  -0.893
  802   HG22  ILE 131          HG22      ILE 131  -0.429   7.179  -1.473
  803   HG23  ILE 131          HG23      ILE 131  -1.695   8.177  -2.193
  804   HD11  ILE 131          HD11      ILE 131  -3.206   5.431  -5.057
  805   HD12  ILE 131          HD12      ILE 131  -3.400   4.088  -3.919
  806   HD13  ILE 131          HD13      ILE 131  -4.759   5.158  -4.266
  807    H    LEU 132           HN       LEU 132   1.330   5.739  -3.260
  808    HA   LEU 132           HA       LEU 132   2.459   8.164  -2.504
  809    HB2  LEU 132           HB2      LEU 132   4.077   6.032  -3.874
  810    HB3  LEU 132           HB3      LEU 132   4.593   7.136  -2.618
  811    HG   LEU 132           HG       LEU 132   2.459   5.149  -2.010
  812   HD11  LEU 132          HD11      LEU 132   4.189   3.498  -1.431
  813   HD12  LEU 132          HD12      LEU 132   4.193   3.865  -3.157
  814   HD13  LEU 132          HD13      LEU 132   5.428   4.557  -2.103
  815   HD21  LEU 132          HD21      LEU 132   3.570   5.186   0.216
  816   HD22  LEU 132          HD22      LEU 132   4.747   6.341  -0.406
  817   HD23  LEU 132          HD23      LEU 132   3.045   6.795  -0.298
  818    H    GLN 133           HN       GLN 133   2.197   6.608  -5.569
  819    HA   GLN 133           HA       GLN 133   3.831   8.485  -6.998
  820    HB2  GLN 133           HB2      GLN 133   1.959   6.315  -7.968
  821    HB3  GLN 133           HB3      GLN 133   3.018   7.261  -9.006
  822    HG2  GLN 133           HG2      GLN 133   4.935   6.256  -8.179
  823    HG3  GLN 133           HG3      GLN 133   4.130   5.700  -6.712
  824   HE21  GLN 133          HE21      GLN 133   2.925   3.861  -6.751
  825   HE22  GLN 133          HE22      GLN 133   2.924   2.743  -8.074
  826    H    LYS 134           HN       LYS 134   0.319   7.936  -6.467
  827    HA   LYS 134           HA       LYS 134  -0.627   9.808  -8.209
  828    HB2  LYS 134           HB2      LYS 134  -1.589   8.781  -5.554
  829    HB3  LYS 134           HB3      LYS 134  -2.445  10.123  -6.314
  830    HG2  LYS 134           HG2      LYS 134  -3.563   8.109  -6.859
  831    HG3  LYS 134           HG3      LYS 134  -2.744   8.670  -8.322
  832    HD2  LYS 134           HD2      LYS 134  -1.240   6.966  -8.290
  833    HD3  LYS 134           HD3      LYS 134  -1.251   6.840  -6.519
  834    HE2  LYS 134           HE2      LYS 134  -2.632   5.166  -6.656
  835    HE3  LYS 134           HE3      LYS 134  -3.838   6.181  -7.443
  836    HZ1  LYS 134           HZ1      LYS 134  -3.306   4.200  -8.750
  837    HZ2  LYS 134           HZ2      LYS 134  -1.685   4.686  -8.861
  838    HZ3  LYS 134           HZ3      LYS 134  -2.902   5.618  -9.585
  839    H    GLU 135           HN       GLU 135   0.488  10.317  -4.901
  840    HA   GLU 135           HA       GLU 135  -0.519  12.820  -4.423
  841    HB2  GLU 135           HB2      GLU 135   2.180  11.795  -3.540
  842    HB3  GLU 135           HB3      GLU 135   1.291  13.117  -2.796
  843    HG2  GLU 135           HG2      GLU 135   0.411  10.239  -2.918
  844    HG3  GLU 135           HG3      GLU 135   1.079  11.064  -1.514
  845    H    ASP 136           HN       ASP 136   2.780  12.250  -5.706
  846    HA   ASP 136           HA       ASP 136   2.546  14.542  -7.432
  847    HB2  ASP 136           HB2      ASP 136   3.176  15.480  -5.132
  848    HB3  ASP 136           HB3      ASP 136   4.722  14.660  -5.335
  849    H    VAL 137           HN       VAL 137   2.822  12.156  -8.355
  850    HA   VAL 137           HA       VAL 137   5.641  11.901  -9.131
  851    HB   VAL 137           HB       VAL 137   3.937   9.564  -8.268
  852   HG11  VAL 137          HG11      VAL 137   5.449   8.933  -9.998
  853   HG12  VAL 137          HG12      VAL 137   6.804   9.689  -9.152
  854   HG13  VAL 137          HG13      VAL 137   6.009   8.270  -8.463
  855   HG21  VAL 137          HG21      VAL 137   4.515  10.764  -6.309
  856   HG22  VAL 137          HG22      VAL 137   5.563   9.350  -6.399
  857   HG23  VAL 137          HG23      VAL 137   6.194  10.942  -6.834
  858    H    LYS 138           HN       LYS 138   2.698   9.988  -9.603
  859    HA   LYS 138           HA       LYS 138   1.687   9.120 -11.419
  860    HB2  LYS 138           HB2      LYS 138   2.770  11.598 -12.766
  861    HB3  LYS 138           HB3      LYS 138   1.619  10.492 -13.499
  862    HG2  LYS 138           HG2      LYS 138   0.004  10.999 -11.739
  863    HG3  LYS 138           HG3      LYS 138   1.160  12.109 -10.999
  864    HD2  LYS 138           HD2      LYS 138   1.151  13.472 -13.028
  865    HD3  LYS 138           HD3      LYS 138   0.012  12.355 -13.780
  866    HE2  LYS 138           HE2      LYS 138  -0.485  14.029 -11.323
  867    HE3  LYS 138           HE3      LYS 138  -1.136  14.324 -12.933
  868    HZ1  LYS 138           HZ1      LYS 138  -2.854  13.256 -11.877
  869    HZ2  LYS 138           HZ2      LYS 138  -1.842  12.210 -11.009
  870    HZ3  LYS 138           HZ3      LYS 138  -2.098  11.961 -12.670
  Start of MODEL   14
    1    H1   MET  29           H1       MET  29 -33.134 -10.390  10.204
    2    H2   MET  29           H2       MET  29 -33.925 -10.676   8.731
    3    H3   MET  29           H3       MET  29 -34.600  -9.611   9.861
    4    HA   MET  29           HA       MET  29 -32.788  -8.082   9.596
    5    HB2  MET  29           HB2      MET  29 -31.031  -8.438   8.010
    6    HB3  MET  29           HB3      MET  29 -31.108  -9.873   9.020
    7    HG2  MET  29           HG2      MET  29 -32.300  -9.625   6.264
    8    HG3  MET  29           HG3      MET  29 -30.755 -10.382   6.638
    9    HE1  MET  29           HE1      MET  29 -33.106 -11.762   4.981
   10    HE2  MET  29           HE2      MET  29 -31.588 -12.592   5.323
   11    HE3  MET  29           HE3      MET  29 -33.123 -13.386   5.670
   12    H    GLU  30           HN       GLU  30 -32.296  -7.023   7.169
   13    HA   GLU  30           HA       GLU  30 -34.823  -6.263   6.208
   14    HB2  GLU  30           HB2      GLU  30 -33.604  -5.172   4.349
   15    HB3  GLU  30           HB3      GLU  30 -32.934  -4.781   5.921
   16    HG2  GLU  30           HG2      GLU  30 -31.773  -6.875   4.101
   17    HG3  GLU  30           HG3      GLU  30 -31.265  -5.189   4.103
   18    H    CYS  31           HN       CYS  31 -36.188  -7.242   4.860
   19    HA   CYS  31           HA       CYS  31 -35.225  -9.693   3.553
   20    HB2  CYS  31           HB2      CYS  31 -38.041  -8.914   4.335
   21    HB3  CYS  31           HB3      CYS  31 -37.551 -10.457   3.639
   22    HG   CYS  31           HG       CYS  31 -36.116  -9.454   6.556
   23    H    ALA  32           HN       ALA  32 -36.735  -6.626   2.990
   24    HA   ALA  32           HA       ALA  32 -37.706  -7.203   0.373
   25    HB1  ALA  32           HB1      ALA  32 -38.623  -5.365   1.697
   26    HB2  ALA  32           HB2      ALA  32 -37.067  -4.535   1.632
   27    HB3  ALA  32           HB3      ALA  32 -37.994  -4.789   0.154
   28    H    ASP  33           HN       ASP  33 -34.874  -5.409   1.572
   29    HA   ASP  33           HA       ASP  33 -33.574  -5.973  -1.011
   30    HB2  ASP  33           HB2      ASP  33 -33.500  -3.494   0.682
   31    HB3  ASP  33           HB3      ASP  33 -32.162  -3.879  -0.394
   32    H    VAL  34           HN       VAL  34 -32.973  -7.978   0.192
   33    HA   VAL  34           HA       VAL  34 -31.036  -7.952   2.228
   34    HB   VAL  34           HB       VAL  34 -30.358 -10.188   1.392
   35   HG11  VAL  34          HG11      VAL  34 -32.537 -11.299   1.707
   36   HG12  VAL  34          HG12      VAL  34 -32.250 -10.027   2.896
   37   HG13  VAL  34          HG13      VAL  34 -33.336  -9.737   1.539
   38   HG21  VAL  34          HG21      VAL  34 -32.346  -9.681  -0.821
   39   HG22  VAL  34          HG22      VAL  34 -30.594  -9.755  -1.010
   40   HG23  VAL  34          HG23      VAL  34 -31.490 -11.192  -0.518
   41    HA   PRO  35           HA       PRO  35 -27.611  -6.023   0.280
   42    HB2  PRO  35           HB2      PRO  35 -25.546  -7.388   1.501
   43    HB3  PRO  35           HB3      PRO  35 -26.426  -6.040   2.228
   44    HG2  PRO  35           HG2      PRO  35 -26.809  -8.979   2.601
   45    HG3  PRO  35           HG3      PRO  35 -26.836  -7.687   3.814
   46    HD2  PRO  35           HD2      PRO  35 -29.103  -8.766   2.896
   47    HD3  PRO  35           HD3      PRO  35 -28.993  -7.023   3.236
   48    H    LEU  36           HN       LEU  36 -26.958  -6.316  -1.689
   49    HA   LEU  36           HA       LEU  36 -26.216  -9.019  -2.606
   50    HB2  LEU  36           HB2      LEU  36 -27.439  -6.771  -4.209
   51    HB3  LEU  36           HB3      LEU  36 -26.983  -8.342  -4.836
   52    HG   LEU  36           HG       LEU  36 -29.119  -7.877  -2.755
   53   HD11  LEU  36          HD11      LEU  36 -29.743  -6.974  -4.939
   54   HD12  LEU  36          HD12      LEU  36 -29.375  -8.528  -5.688
   55   HD13  LEU  36          HD13      LEU  36 -30.700  -8.397  -4.530
   56   HD21  LEU  36          HD21      LEU  36 -29.702 -10.216  -3.191
   57   HD22  LEU  36          HD22      LEU  36 -28.314 -10.360  -4.269
   58   HD23  LEU  36          HD23      LEU  36 -28.067 -10.060  -2.548
   59    H    LEU  37           HN       LEU  37 -25.477  -5.610  -2.587
   60    HA   LEU  37           HA       LEU  37 -22.832  -6.245  -3.724
   61    HB2  LEU  37           HB2      LEU  37 -24.089  -4.496  -4.939
   62    HB3  LEU  37           HB3      LEU  37 -24.189  -3.553  -3.464
   63    HG   LEU  37           HG       LEU  37 -21.731  -3.325  -3.453
   64   HD11  LEU  37          HD11      LEU  37 -20.442  -3.996  -5.415
   65   HD12  LEU  37          HD12      LEU  37 -21.159  -5.391  -4.607
   66   HD13  LEU  37          HD13      LEU  37 -21.874  -4.769  -6.094
   67   HD21  LEU  37          HD21      LEU  37 -21.565  -1.803  -5.351
   68   HD22  LEU  37          HD22      LEU  37 -23.026  -2.499  -6.046
   69   HD23  LEU  37          HD23      LEU  37 -23.111  -1.617  -4.523
   70    H    THR  38           HN       THR  38 -21.902  -7.021  -1.863
   71    HA   THR  38           HA       THR  38 -22.116  -5.371   0.555
   72    HB   THR  38           HB       THR  38 -21.164  -8.227   0.353
   73    HG1  THR  38           HG1      THR  38 -23.252  -8.361  -0.272
   74   HG21  THR  38          HG21      THR  38 -20.511  -7.064   2.402
   75   HG22  THR  38          HG22      THR  38 -21.729  -8.295   2.741
   76   HG23  THR  38          HG23      THR  38 -22.187  -6.593   2.680
   77    HA   PRO  39           HA       PRO  39 -17.775  -4.106   0.117
   78    HB2  PRO  39           HB2      PRO  39 -18.383  -3.599   3.002
   79    HB3  PRO  39           HB3      PRO  39 -17.605  -2.546   1.815
   80    HG2  PRO  39           HG2      PRO  39 -20.099  -2.084   2.541
   81    HG3  PRO  39           HG3      PRO  39 -19.634  -1.944   0.832
   82    HD2  PRO  39           HD2      PRO  39 -21.096  -4.149   2.230
   83    HD3  PRO  39           HD3      PRO  39 -21.382  -3.452   0.621
   84    H    SER  40           HN       SER  40 -16.265  -5.743   0.190
   85    HA   SER  40           HA       SER  40 -16.076  -7.204   2.727
   86    HB2  SER  40           HB2      SER  40 -15.474  -9.265   1.391
   87    HB3  SER  40           HB3      SER  40 -17.155  -8.755   1.269
   88    HG   SER  40           HG       SER  40 -15.472  -9.167  -0.708
   89    H    SER  41           HN       SER  41 -14.273  -7.019  -0.373
   90    HA   SER  41           HA       SER  41 -11.828  -7.025   1.196
   91    HB2  SER  41           HB2      SER  41 -10.726  -7.266  -1.063
   92    HB3  SER  41           HB3      SER  41 -11.815  -8.575  -0.609
   93    HG   SER  41           HG       SER  41 -11.918  -7.410  -2.829
   94    H    LYS  42           HN       LYS  42 -13.011  -5.081  -1.577
   95    HA   LYS  42           HA       LYS  42 -10.769  -3.321  -1.034
   96    HB2  LYS  42           HB2      LYS  42 -11.271  -4.197  -3.346
   97    HB3  LYS  42           HB3      LYS  42 -12.631  -3.083  -3.376
   98    HG2  LYS  42           HG2      LYS  42 -11.259  -1.205  -3.344
   99    HG3  LYS  42           HG3      LYS  42  -9.850  -2.110  -2.766
  100    HD2  LYS  42           HD2      LYS  42  -9.998  -3.373  -4.994
  101    HD3  LYS  42           HD3      LYS  42 -11.112  -2.105  -5.508
  102    HE2  LYS  42           HE2      LYS  42  -8.914  -1.541  -6.274
  103    HE3  LYS  42           HE3      LYS  42  -9.354  -0.429  -4.978
  104    HZ1  LYS  42           HZ1      LYS  42  -7.996  -1.669  -3.456
  105    HZ2  LYS  42           HZ2      LYS  42  -7.063  -1.272  -4.812
  106    HZ3  LYS  42           HZ3      LYS  42  -7.653  -2.845  -4.623
  107    H    GLU  43           HN       GLU  43 -14.198  -3.287  -0.550
  108    HA   GLU  43           HA       GLU  43 -14.438  -0.448  -0.475
  109    HB2  GLU  43           HB2      GLU  43 -16.400  -1.964  -0.627
  110    HB3  GLU  43           HB3      GLU  43 -16.085  -2.504   1.017
  111    HG2  GLU  43           HG2      GLU  43 -17.820  -0.909   1.132
  112    HG3  GLU  43           HG3      GLU  43 -16.369  -0.128   1.756
  113    H    MET  44           HN       MET  44 -13.567  -2.943   1.842
  114    HA   MET  44           HA       MET  44 -13.348  -1.375   4.130
  115    HB2  MET  44           HB2      MET  44 -11.990  -3.887   3.215
  116    HB3  MET  44           HB3      MET  44 -11.494  -3.112   4.715
  117    HG2  MET  44           HG2      MET  44 -13.141  -4.920   5.038
  118    HG3  MET  44           HG3      MET  44 -13.691  -3.358   5.638
  119    HE1  MET  44           HE1      MET  44 -17.034  -4.969   4.444
  120    HE2  MET  44           HE2      MET  44 -15.675  -5.763   5.243
  121    HE3  MET  44           HE3      MET  44 -16.194  -4.161   5.768
  122    H    MET  45           HN       MET  45 -10.770  -2.206   1.777
  123    HA   MET  45           HA       MET  45  -8.919  -0.388   2.898
  124    HB2  MET  45           HB2      MET  45  -7.577  -0.681   0.939
  125    HB3  MET  45           HB3      MET  45  -8.267  -2.244   1.371
  126    HG2  MET  45           HG2      MET  45 -10.065  -1.733  -0.357
  127    HG3  MET  45           HG3      MET  45  -9.014  -0.416  -0.884
  128    HE1  MET  45           HE1      MET  45  -5.783  -2.445  -1.868
  129    HE2  MET  45           HE2      MET  45  -6.455  -0.848  -1.532
  130    HE3  MET  45           HE3      MET  45  -6.164  -1.977  -0.209
  131    H    SER  46           HN       SER  46 -11.406  -0.006   0.451
  132    HA   SER  46           HA       SER  46 -10.708   2.472  -0.549
  133    HB2  SER  46           HB2      SER  46 -12.630   0.879  -1.206
  134    HB3  SER  46           HB3      SER  46 -13.570   1.714   0.032
  135    HG   SER  46           HG       SER  46 -13.930   3.159  -1.457
  136    H    GLN  47           HN       GLN  47 -12.741   1.763   2.304
  137    HA   GLN  47           HA       GLN  47 -12.699   4.515   3.085
  138    HB2  GLN  47           HB2      GLN  47 -13.708   3.670   5.233
  139    HB3  GLN  47           HB3      GLN  47 -14.616   3.306   3.773
  140    HG2  GLN  47           HG2      GLN  47 -13.697   1.031   3.793
  141    HG3  GLN  47           HG3      GLN  47 -12.836   1.410   5.285
  142   HE21  GLN  47          HE21      GLN  47 -15.947   0.841   3.836
  143   HE22  GLN  47          HE22      GLN  47 -16.811   0.600   5.314
  144    H    ALA  48           HN       ALA  48 -11.053   1.596   4.334
  145    HA   ALA  48           HA       ALA  48  -9.788   2.989   6.451
  146    HB1  ALA  48           HB1      ALA  48  -8.543   0.959   6.842
  147    HB2  ALA  48           HB2      ALA  48 -10.231   0.572   6.503
  148    HB3  ALA  48           HB3      ALA  48  -9.003   0.336   5.259
  149    H    LEU  49           HN       LEU  49  -8.463   1.804   3.305
  150    HA   LEU  49           HA       LEU  49  -5.814   2.663   3.962
  151    HB2  LEU  49           HB2      LEU  49  -7.140   1.209   1.802
  152    HB3  LEU  49           HB3      LEU  49  -6.018   2.413   1.188
  153    HG   LEU  49           HG       LEU  49  -5.381   0.109   3.002
  154   HD11  LEU  49          HD11      LEU  49  -5.697  -0.384   0.641
  155   HD12  LEU  49          HD12      LEU  49  -4.512   0.851   0.224
  156   HD13  LEU  49          HD13      LEU  49  -4.009  -0.583   1.121
  157   HD21  LEU  49          HD21      LEU  49  -4.071   2.037   3.726
  158   HD22  LEU  49          HD22      LEU  49  -3.048   0.858   2.907
  159   HD23  LEU  49          HD23      LEU  49  -3.557   2.321   2.065
  160    H    LYS  50           HN       LYS  50  -8.253   3.684   1.619
  161    HA   LYS  50           HA       LYS  50  -6.700   5.657   0.470
  162    HB2  LYS  50           HB2      LYS  50  -9.715   5.656   0.583
  163    HB3  LYS  50           HB3      LYS  50  -8.689   6.378  -0.651
  164    HG2  LYS  50           HG2      LYS  50  -9.009   3.442  -0.079
  165    HG3  LYS  50           HG3      LYS  50  -9.645   4.324  -1.467
  166    HD2  LYS  50           HD2      LYS  50  -6.705   4.067  -0.820
  167    HD3  LYS  50           HD3      LYS  50  -7.566   3.030  -1.959
  168    HE2  LYS  50           HE2      LYS  50  -7.501   6.027  -2.213
  169    HE3  LYS  50           HE3      LYS  50  -6.276   4.986  -2.936
  170    HZ1  LYS  50           HZ1      LYS  50  -7.972   3.894  -4.217
  171    HZ2  LYS  50           HZ2      LYS  50  -8.053   5.563  -4.494
  172    HZ3  LYS  50           HZ3      LYS  50  -9.194   4.817  -3.486
  173    H    ALA  51           HN       ALA  51  -8.667   5.739   3.327
  174    HA   ALA  51           HA       ALA  51  -8.490   8.597   3.684
  175    HB1  ALA  51           HB1      ALA  51  -9.294   6.471   5.657
  176    HB2  ALA  51           HB2      ALA  51  -9.498   8.210   5.856
  177    HB3  ALA  51           HB3      ALA  51 -10.384   7.358   4.592
  178    H    THR  52           HN       THR  52  -6.712   5.755   4.831
  179    HA   THR  52           HA       THR  52  -5.531   7.096   7.055
  180    HB   THR  52           HB       THR  52  -5.945   4.640   6.989
  181    HG1  THR  52           HG1      THR  52  -4.398   4.445   8.435
  182   HG21  THR  52          HG21      THR  52  -4.335   3.181   5.854
  183   HG22  THR  52          HG22      THR  52  -3.549   4.595   5.148
  184   HG23  THR  52          HG23      THR  52  -5.205   4.190   4.695
  185    H    PHE  53           HN       PHE  53  -4.793   7.306   3.807
  186    HA   PHE  53           HA       PHE  53  -2.096   6.764   3.662
  187    HB2  PHE  53           HB2      PHE  53  -3.724   8.745   2.085
  188    HB3  PHE  53           HB3      PHE  53  -2.057   8.335   1.693
  189    HD1  PHE  53           HD2      PHE  53  -2.103   5.424   2.258
  190    HD2  PHE  53           HD1      PHE  53  -4.894   7.927   0.264
  191    HE1  PHE  53           HE2      PHE  53  -2.874   3.500   0.937
  192    HE2  PHE  53           HE1      PHE  53  -5.675   6.009  -1.054
  193    HZ   PHE  53           HZ       PHE  53  -4.666   3.792  -0.720
  194    H    SER  54           HN       SER  54  -3.617   9.651   4.888
  195    HA   SER  54           HA       SER  54  -1.468  11.429   4.609
  196    HB2  SER  54           HB2      SER  54  -2.622  12.711   6.425
  197    HB3  SER  54           HB3      SER  54  -3.675  12.257   5.085
  198    HG   SER  54           HG       SER  54  -4.043  11.765   7.632
  199    H    GLY  55           HN       GLY  55  -2.047   8.861   6.840
  200    HA2  GLY  55           HA1      GLY  55  -0.486   9.617   9.016
  201    HA3  GLY  55           HA2      GLY  55  -0.799   7.964   8.515
  202    H    PHE  56           HN       PHE  56   0.578   7.406   6.404
  203    HA   PHE  56           HA       PHE  56   3.247   7.470   7.486
  204    HB2  PHE  56           HB2      PHE  56   2.355   5.389   6.510
  205    HB3  PHE  56           HB3      PHE  56   2.297   6.171   4.929
  206    HD1  PHE  56           HD1      PHE  56   4.654   5.301   7.674
  207    HD2  PHE  56           HD2      PHE  56   4.125   6.080   3.526
  208    HE1  PHE  56           HE1      PHE  56   6.968   4.593   7.252
  209    HE2  PHE  56           HE2      PHE  56   6.445   5.380   3.095
  210    HZ   PHE  56           HZ       PHE  56   7.917   4.775   5.005
  211    H    THR  57           HN       THR  57   1.693   8.610   4.559
  212    HA   THR  57           HA       THR  57   3.948   9.369   3.105
  213    HB   THR  57           HB       THR  57   1.279  10.768   3.122
  214    HG1  THR  57           HG1      THR  57   1.183   9.217   1.130
  215   HG21  THR  57          HG21      THR  57   1.854  11.305   0.773
  216   HG22  THR  57          HG22      THR  57   3.442  10.580   1.019
  217   HG23  THR  57          HG23      THR  57   2.982  12.021   1.925
  218    H    LYS  58           HN       LYS  58   2.567  10.807   5.888
  219    HA   LYS  58           HA       LYS  58   3.606  13.488   5.408
  220    HB2  LYS  58           HB2      LYS  58   1.452  13.287   6.551
  221    HB3  LYS  58           HB3      LYS  58   2.182  12.282   7.794
  222    HG2  LYS  58           HG2      LYS  58   1.894  14.474   8.673
  223    HG3  LYS  58           HG3      LYS  58   3.621  14.203   8.427
  224    HD2  LYS  58           HD2      LYS  58   3.526  15.468   6.341
  225    HD3  LYS  58           HD3      LYS  58   1.792  15.719   6.563
  226    HE2  LYS  58           HE2      LYS  58   4.016  16.730   8.330
  227    HE3  LYS  58           HE3      LYS  58   2.983  17.693   7.273
  228    HZ1  LYS  58           HZ1      LYS  58   2.209  16.258   9.752
  229    HZ2  LYS  58           HZ2      LYS  58   1.070  16.862   8.651
  230    HZ3  LYS  58           HZ3      LYS  58   2.130  17.923   9.445
  231    H    GLU  59           HN       GLU  59   4.149  10.628   7.269
  232    HA   GLU  59           HA       GLU  59   6.287  11.761   8.855
  233    HB2  GLU  59           HB2      GLU  59   5.061  10.328  10.137
  234    HB3  GLU  59           HB3      GLU  59   4.705   9.237   8.803
  235    HG2  GLU  59           HG2      GLU  59   6.180   7.909   9.727
  236    HG3  GLU  59           HG3      GLU  59   7.402   9.027   9.097
  237    H    GLN  60           HN       GLN  60   5.793   9.599   6.187
  238    HA   GLN  60           HA       GLN  60   8.250   8.520   5.636
  239    HB2  GLN  60           HB2      GLN  60   6.143   8.258   4.335
  240    HB3  GLN  60           HB3      GLN  60   6.365   9.876   3.697
  241    HG2  GLN  60           HG2      GLN  60   8.389   9.165   2.569
  242    HG3  GLN  60           HG3      GLN  60   8.188   7.541   3.239
  243   HE21  GLN  60          HE21      GLN  60   8.176   8.574   0.468
  244   HE22  GLN  60          HE22      GLN  60   6.703   7.988  -0.215
  245    H    GLN  61           HN       GLN  61   7.043  11.670   4.692
  246    HA   GLN  61           HA       GLN  61   9.450  12.668   3.559
  247    HB2  GLN  61           HB2      GLN  61   6.916  13.896   4.597
  248    HB3  GLN  61           HB3      GLN  61   8.221  14.894   3.946
  249    HG2  GLN  61           HG2      GLN  61   8.059  13.858   1.801
  250    HG3  GLN  61           HG3      GLN  61   6.931  12.650   2.411
  251   HE21  GLN  61          HE21      GLN  61   4.812  13.151   2.651
  252   HE22  GLN  61          HE22      GLN  61   4.103  14.612   2.038
  253    H    ARG  62           HN       ARG  62   7.958  12.788   6.689
  254    HA   ARG  62           HA       ARG  62   9.578  14.650   7.995
  255    HB2  ARG  62           HB2      ARG  62   7.432  13.861   8.830
  256    HB3  ARG  62           HB3      ARG  62   8.074  12.236   8.998
  257    HG2  ARG  62           HG2      ARG  62   7.994  13.121  11.161
  258    HG3  ARG  62           HG3      ARG  62   9.694  13.168  10.686
  259    HD2  ARG  62           HD2      ARG  62   7.773  15.495  10.603
  260    HD3  ARG  62           HD3      ARG  62   9.004  15.225  11.832
  261    HE   ARG  62           HE       ARG  62  10.338  15.247   9.420
  262   HH11  ARG  62          HH12      ARG  62   8.398  17.458  11.316
  263   HH12  ARG  62          HH11      ARG  62   9.140  18.883  10.646
  264   HH21  ARG  62          HH22      ARG  62  11.295  17.098   8.509
  265   HH22  ARG  62          HH21      ARG  62  10.799  18.677   9.051
  266    H    LEU  63           HN       LEU  63   9.743  11.119   7.914
  267    HA   LEU  63           HA       LEU  63  12.163  10.901   9.347
  268    HB2  LEU  63           HB2      LEU  63  10.764   8.936   7.550
  269    HB3  LEU  63           HB3      LEU  63  12.099   8.540   8.616
  270    HG   LEU  63           HG       LEU  63   9.501   9.678   9.628
  271   HD11  LEU  63          HD11      LEU  63   9.146   7.529   8.427
  272   HD12  LEU  63          HD12      LEU  63  10.278   6.768   9.546
  273   HD13  LEU  63          HD13      LEU  63   8.771   7.468  10.149
  274   HD21  LEU  63          HD21      LEU  63  10.264   8.790  11.757
  275   HD22  LEU  63          HD22      LEU  63  11.721   8.162  10.989
  276   HD23  LEU  63          HD23      LEU  63  11.457   9.902  11.087
  277    H    GLY  64           HN       GLY  64  11.792  12.211   6.418
  278    HA2  GLY  64           HA1      GLY  64  13.455  12.848   4.928
  279    HA3  GLY  64           HA2      GLY  64  14.569  11.766   5.756
  280    H    ILE  65           HN       ILE  65  11.644  10.265   4.984
  281    HA   ILE  65           HA       ILE  65  12.952   8.701   2.950
  282    HB   ILE  65           HB       ILE  65  10.110   8.466   3.940
  283   HG12  ILE  65          HG12      ILE  65  12.614   6.997   4.797
  284   HG13  ILE  65          HG13      ILE  65  11.643   8.083   5.786
  285   HG21  ILE  65          HG21      ILE  65  10.489   7.468   1.731
  286   HG22  ILE  65          HG22      ILE  65  11.820   6.518   2.387
  287   HG23  ILE  65          HG23      ILE  65  10.173   6.234   2.949
  288   HD11  ILE  65          HD11      ILE  65   9.772   6.519   5.661
  289   HD12  ILE  65          HD12      ILE  65  10.756   5.425   4.679
  290   HD13  ILE  65          HD13      ILE  65  11.211   5.765   6.351
  291    HA   PRO  66           HA       PRO  66  11.607  11.364  -0.422
  292    HB2  PRO  66           HB2      PRO  66  11.802   9.149  -2.168
  293    HB3  PRO  66           HB3      PRO  66  13.007  10.413  -1.921
  294    HG2  PRO  66           HG2      PRO  66  12.856   7.681  -0.780
  295    HG3  PRO  66           HG3      PRO  66  14.279   8.664  -1.163
  296    HD2  PRO  66           HD2      PRO  66  13.486   8.286   1.360
  297    HD3  PRO  66           HD3      PRO  66  14.152   9.846   0.829
  298    H    LYS  67           HN       LYS  67   9.595  11.735  -1.168
  299    HA   LYS  67           HA       LYS  67   7.413  10.189  -0.320
  300    HB2  LYS  67           HB2      LYS  67   6.034  11.683  -1.686
  301    HB3  LYS  67           HB3      LYS  67   7.222  12.578  -0.751
  302    HG2  LYS  67           HG2      LYS  67   8.621  12.821  -2.726
  303    HG3  LYS  67           HG3      LYS  67   7.468  11.876  -3.674
  304    HD2  LYS  67           HD2      LYS  67   7.108  14.223  -4.099
  305    HD3  LYS  67           HD3      LYS  67   5.739  13.582  -3.194
  306    HE2  LYS  67           HE2      LYS  67   6.284  15.700  -2.254
  307    HE3  LYS  67           HE3      LYS  67   6.813  14.470  -1.112
  308    HZ1  LYS  67           HZ1      LYS  67   8.530  15.971  -3.014
  309    HZ2  LYS  67           HZ2      LYS  67   9.077  14.714  -2.019
  310    HZ3  LYS  67           HZ3      LYS  67   8.501  16.150  -1.330
  311    H    ASP  68           HN       ASP  68   9.221  10.140  -3.295
  312    HA   ASP  68           HA       ASP  68   7.351   8.451  -4.705
  313    HB2  ASP  68           HB2      ASP  68   8.827   9.986  -5.931
  314    HB3  ASP  68           HB3      ASP  68  10.242   9.196  -5.248
  315    HA   PRO  69           HA       PRO  69   9.222   4.730  -3.057
  316    HB2  PRO  69           HB2      PRO  69   7.912   2.890  -4.439
  317    HB3  PRO  69           HB3      PRO  69   7.058   3.938  -3.298
  318    HG2  PRO  69           HG2      PRO  69   7.193   4.087  -6.274
  319    HG3  PRO  69           HG3      PRO  69   5.816   4.373  -5.195
  320    HD2  PRO  69           HD2      PRO  69   7.451   6.351  -6.306
  321    HD3  PRO  69           HD3      PRO  69   6.370   6.566  -4.915
  322    H    ARG  70           HN       ARG  70   9.332   5.439  -6.497
  323    HA   ARG  70           HA       ARG  70  10.737   3.226  -7.454
  324    HB2  ARG  70           HB2      ARG  70  10.633   6.070  -8.407
  325    HB3  ARG  70           HB3      ARG  70  11.609   4.869  -9.232
  326    HG2  ARG  70           HG2      ARG  70   9.636   4.940 -10.446
  327    HG3  ARG  70           HG3      ARG  70   9.456   3.514  -9.428
  328    HD2  ARG  70           HD2      ARG  70   7.854   4.503  -8.093
  329    HD3  ARG  70           HD3      ARG  70   8.388   6.147  -8.484
  330    HE   ARG  70           HE       ARG  70   7.036   4.430 -10.474
  331   HH11  ARG  70          HH12      ARG  70   7.283   7.445  -8.698
  332   HH12  ARG  70          HH11      ARG  70   6.076   8.242  -9.668
  333   HH21  ARG  70          HH22      ARG  70   5.471   5.505 -11.761
  334   HH22  ARG  70          HH21      ARG  70   5.060   7.161 -11.392
  335    H    GLN  71           HN       GLN  71  11.945   5.368  -5.214
  336    HA   GLN  71           HA       GLN  71  14.705   4.696  -5.985
  337    HB2  GLN  71           HB2      GLN  71  15.532   6.846  -5.664
  338    HB3  GLN  71           HB3      GLN  71  13.973   7.156  -6.420
  339    HG2  GLN  71           HG2      GLN  71  14.520   7.250  -3.465
  340    HG3  GLN  71           HG3      GLN  71  14.417   8.650  -4.534
  341   HE21  GLN  71          HE21      GLN  71  12.620   5.912  -3.244
  342   HE22  GLN  71          HE22      GLN  71  11.051   6.624  -3.404
  343    H    TRP  72           HN       TRP  72  12.634   3.800  -3.847
  344    HA   TRP  72           HA       TRP  72  13.712   4.652  -1.361
  345    HB2  TRP  72           HB2      TRP  72  11.705   2.624  -2.280
  346    HB3  TRP  72           HB3      TRP  72  12.317   2.513  -0.634
  347    HD1  TRP  72           HD1      TRP  72  12.288   6.022  -0.858
  348    HE1  TRP  72           HE1      TRP  72  10.030   7.051  -0.173
  349    HE3  TRP  72           HE3      TRP  72   9.376   1.850  -1.158
  350    HZ2  TRP  72           HZ2      TRP  72   7.349   6.186   0.191
  351    HZ3  TRP  72           HZ3      TRP  72   6.987   2.031  -0.622
  352    HH2  TRP  72           HH2      TRP  72   6.000   4.147   0.034
  353    H    THR  73           HN       THR  73  14.757   3.314   0.224
  354    HA   THR  73           HA       THR  73  16.436   1.212  -0.801
  355    HB   THR  73           HB       THR  73  17.269   1.109   1.532
  356    HG1  THR  73           HG1      THR  73  16.410   2.666   3.029
  357   HG21  THR  73          HG21      THR  73  18.241   2.735  -0.040
  358   HG22  THR  73          HG22      THR  73  18.256   3.340   1.618
  359   HG23  THR  73          HG23      THR  73  17.051   3.932   0.473
  360    H    GLU  74           HN       GLU  74  16.487  -0.877   0.573
  361    HA   GLU  74           HA       GLU  74  13.981  -2.126   0.484
  362    HB2  GLU  74           HB2      GLU  74  15.220  -3.833   2.073
  363    HB3  GLU  74           HB3      GLU  74  15.628  -3.699   0.374
  364    HG2  GLU  74           HG2      GLU  74  17.622  -3.872   1.713
  365    HG3  GLU  74           HG3      GLU  74  17.549  -2.292   0.946
  366    H    THR  75           HN       THR  75  15.517  -0.275   2.972
  367    HA   THR  75           HA       THR  75  13.776  -1.102   5.097
  368    HB   THR  75           HB       THR  75  15.483   1.392   4.945
  369    HG1  THR  75           HG1      THR  75  16.655  -0.640   4.615
  370   HG21  THR  75          HG21      THR  75  13.821   1.392   6.753
  371   HG22  THR  75          HG22      THR  75  15.462   1.262   7.387
  372   HG23  THR  75          HG23      THR  75  14.430  -0.167   7.311
  373    H    HIS  76           HN       HIS  76  13.815   1.468   2.686
  374    HA   HIS  76           HA       HIS  76  11.796   3.052   3.989
  375    HB2  HIS  76           HB2      HIS  76  13.038   3.166   1.239
  376    HB3  HIS  76           HB3      HIS  76  11.742   4.248   1.737
  377    HD1  HIS  76           HD1      HIS  76  14.588   5.304   0.981
  378    HD2  HIS  76           HD2      HIS  76  13.257   4.530   4.849
  379    HE1  HIS  76           HE1      HIS  76  16.017   6.716   2.483
  380    HE2  HIS  76           HE2      HIS  76  15.279   6.149   4.832
  381    H    VAL  77           HN       VAL  77  11.905   0.725   1.350
  382    HA   VAL  77           HA       VAL  77   9.219   0.893   0.580
  383    HB   VAL  77           HB       VAL  77  11.228  -1.353   0.357
  384   HG11  VAL  77          HG11      VAL  77   8.978  -2.291   0.380
  385   HG12  VAL  77          HG12      VAL  77   8.486  -1.161  -0.881
  386   HG13  VAL  77          HG13      VAL  77   9.690  -2.400  -1.230
  387   HG21  VAL  77          HG21      VAL  77  11.737   0.668  -0.944
  388   HG22  VAL  77          HG22      VAL  77  11.322  -0.687  -2.000
  389   HG23  VAL  77          HG23      VAL  77  10.143   0.591  -1.694
  390    H    ARG  78           HN       ARG  78  10.927  -1.343   2.770
  391    HA   ARG  78           HA       ARG  78   8.642  -2.770   3.560
  392    HB2  ARG  78           HB2      ARG  78  11.345  -2.396   4.797
  393    HB3  ARG  78           HB3      ARG  78  10.097  -3.320   5.620
  394    HG2  ARG  78           HG2      ARG  78   9.913  -4.766   3.606
  395    HG3  ARG  78           HG3      ARG  78  11.271  -3.888   2.906
  396    HD2  ARG  78           HD2      ARG  78  11.453  -5.231   5.585
  397    HD3  ARG  78           HD3      ARG  78  11.760  -6.102   4.085
  398    HE   ARG  78           HE       ARG  78  13.311  -3.754   4.125
  399   HH11  ARG  78          HH12      ARG  78  13.072  -6.840   5.755
  400   HH12  ARG  78          HH11      ARG  78  14.778  -6.985   6.044
  401   HH21  ARG  78          HH22      ARG  78  15.597  -3.931   4.511
  402   HH22  ARG  78          HH21      ARG  78  16.207  -5.341   5.318
  403    H    ASP  79           HN       ASP  79   9.930   0.269   4.656
  404    HA   ASP  79           HA       ASP  79   8.577   0.591   7.084
  405    HB2  ASP  79           HB2      ASP  79  10.152   2.179   5.393
  406    HB3  ASP  79           HB3      ASP  79   8.609   3.035   5.500
  407    H    TRP  80           HN       TRP  80   7.682   1.597   3.809
  408    HA   TRP  80           HA       TRP  80   5.089   2.512   4.532
  409    HB2  TRP  80           HB2      TRP  80   5.959   3.583   2.688
  410    HB3  TRP  80           HB3      TRP  80   6.754   2.134   2.092
  411    HD1  TRP  80           HD1      TRP  80   3.461   4.020   1.908
  412    HE1  TRP  80           HE1      TRP  80   2.116   3.048  -0.055
  413    HE3  TRP  80           HE3      TRP  80   6.367  -0.023   0.857
  414    HZ2  TRP  80           HZ2      TRP  80   2.256   0.842  -1.814
  415    HZ3  TRP  80           HZ3      TRP  80   5.700  -1.527  -0.960
  416    HH2  TRP  80           HH2      TRP  80   3.681  -1.107  -2.263
  417    H    VAL  81           HN       VAL  81   6.551  -0.423   3.528
  418    HA   VAL  81           HA       VAL  81   4.330  -1.836   2.543
  419    HB   VAL  81           HB       VAL  81   7.075  -2.497   3.478
  420   HG11  VAL  81          HG11      VAL  81   6.735  -4.895   3.323
  421   HG12  VAL  81          HG12      VAL  81   5.798  -4.207   4.650
  422   HG13  VAL  81          HG13      VAL  81   4.997  -4.649   3.141
  423   HG21  VAL  81          HG21      VAL  81   5.461  -3.233   1.047
  424   HG22  VAL  81          HG22      VAL  81   6.678  -1.959   1.160
  425   HG23  VAL  81          HG23      VAL  81   7.153  -3.651   1.310
  426    H    MET  82           HN       MET  82   5.941  -2.018   5.703
  427    HA   MET  82           HA       MET  82   3.827  -3.542   6.834
  428    HB2  MET  82           HB2      MET  82   4.936  -3.280   8.960
  429    HB3  MET  82           HB3      MET  82   6.099  -3.679   7.706
  430    HG2  MET  82           HG2      MET  82   6.661  -1.254   7.558
  431    HG3  MET  82           HG3      MET  82   5.632  -0.992   8.965
  432    HE1  MET  82           HE1      MET  82   6.276  -3.833  10.467
  433    HE2  MET  82           HE2      MET  82   7.517  -3.306  11.605
  434    HE3  MET  82           HE3      MET  82   6.088  -2.306  11.333
  435    H    TRP  83           HN       TRP  83   4.062  -0.164   6.213
  436    HA   TRP  83           HA       TRP  83   2.541   0.642   8.497
  437    HB2  TRP  83           HB2      TRP  83   3.899   2.299   7.333
  438    HB3  TRP  83           HB3      TRP  83   2.983   2.054   5.847
  439    HD1  TRP  83           HD1      TRP  83   2.619   3.583   9.348
  440    HE1  TRP  83           HE1      TRP  83   0.680   5.268   9.279
  441    HE3  TRP  83           HE3      TRP  83   0.909   2.634   4.636
  442    HZ2  TRP  83           HZ2      TRP  83  -1.323   6.085   7.447
  443    HZ3  TRP  83           HZ3      TRP  83  -1.020   3.903   3.798
  444    HH2  TRP  83           HH2      TRP  83  -2.109   5.589   5.174
  445    H    ALA  84           HN       ALA  84   1.534   0.329   5.046
  446    HA   ALA  84           HA       ALA  84  -1.198   0.727   5.622
  447    HB1  ALA  84           HB1      ALA  84  -1.628  -0.404   3.456
  448    HB2  ALA  84           HB2      ALA  84  -0.388   0.849   3.341
  449    HB3  ALA  84           HB3      ALA  84   0.076  -0.853   3.381
  450    H    VAL  85           HN       VAL  85   0.855  -2.079   5.585
  451    HA   VAL  85           HA       VAL  85  -0.954  -4.102   6.158
  452    HB   VAL  85           HB       VAL  85   1.968  -3.662   6.611
  453   HG11  VAL  85          HG11      VAL  85   0.671  -6.241   7.448
  454   HG12  VAL  85          HG12      VAL  85   2.337  -5.731   7.677
  455   HG13  VAL  85          HG13      VAL  85   1.045  -4.963   8.600
  456   HG21  VAL  85          HG21      VAL  85   2.135  -5.579   5.102
  457   HG22  VAL  85          HG22      VAL  85   0.376  -5.691   5.066
  458   HG23  VAL  85          HG23      VAL  85   1.181  -4.264   4.415
  459    H    ASN  86           HN       ASN  86   0.935  -2.143   8.524
  460    HA   ASN  86           HA       ASN  86  -0.253  -3.516  10.691
  461    HB2  ASN  86           HB2      ASN  86   1.140  -2.409  12.095
  462    HB3  ASN  86           HB3      ASN  86   2.017  -2.256  10.586
  463   HD21  ASN  86          HD21      ASN  86   0.269  -0.171   9.547
  464   HD22  ASN  86          HD22      ASN  86   0.669   1.268  10.442
  465    H    GLU  87           HN       GLU  87  -1.355  -0.913   8.817
  466    HA   GLU  87           HA       GLU  87  -3.021   0.299  10.842
  467    HB2  GLU  87           HB2      GLU  87  -2.379   1.752   9.067
  468    HB3  GLU  87           HB3      GLU  87  -2.772   0.557   7.843
  469    HG2  GLU  87           HG2      GLU  87  -4.410   2.277   7.761
  470    HG3  GLU  87           HG3      GLU  87  -5.170   0.833   8.423
  471    H    PHE  88           HN       PHE  88  -3.235  -1.956   8.200
  472    HA   PHE  88           HA       PHE  88  -6.017  -2.545   8.570
  473    HB2  PHE  88           HB2      PHE  88  -3.812  -3.364   6.776
  474    HB3  PHE  88           HB3      PHE  88  -5.115  -4.536   7.012
  475    HD1  PHE  88           HD1      PHE  88  -7.401  -4.024   6.359
  476    HD2  PHE  88           HD2      PHE  88  -4.207  -1.320   5.597
  477    HE1  PHE  88           HE1      PHE  88  -8.823  -2.795   4.769
  478    HE2  PHE  88           HE2      PHE  88  -5.618  -0.090   4.018
  479    HZ   PHE  88           HZ       PHE  88  -7.930  -0.824   3.602
  480    H    SER  89           HN       SER  89  -3.505  -3.232  10.465
  481    HA   SER  89           HA       SER  89  -2.829  -4.885  11.865
  482    HB2  SER  89           HB2      SER  89  -5.745  -5.699  11.739
  483    HB3  SER  89           HB3      SER  89  -4.608  -6.060  13.039
  484    HG   SER  89           HG       SER  89  -5.849  -3.626  12.356
  485    H    LEU  90           HN       LEU  90  -2.354  -5.451   9.177
  486    HA   LEU  90           HA       LEU  90  -3.315  -8.031   8.437
  487    HB2  LEU  90           HB2      LEU  90  -0.899  -6.526   7.412
  488    HB3  LEU  90           HB3      LEU  90  -1.707  -7.861   6.604
  489    HG   LEU  90           HG       LEU  90  -2.849  -5.104   7.126
  490   HD11  LEU  90          HD11      LEU  90  -1.250  -5.170   5.302
  491   HD12  LEU  90          HD12      LEU  90  -2.116  -6.522   4.569
  492   HD13  LEU  90          HD13      LEU  90  -2.890  -4.942   4.692
  493   HD21  LEU  90          HD21      LEU  90  -4.117  -7.508   5.783
  494   HD22  LEU  90          HD22      LEU  90  -4.575  -6.844   7.350
  495   HD23  LEU  90          HD23      LEU  90  -4.815  -5.893   5.884
  496    H    LYS  91           HN       LYS  91  -0.262  -6.796   9.695
  497    HA   LYS  91           HA       LYS  91   1.099  -7.582  11.307
  498    HB2  LYS  91           HB2      LYS  91  -0.988  -9.723  11.676
  499    HB3  LYS  91           HB3      LYS  91   0.333  -9.381  12.782
  500    HG2  LYS  91           HG2      LYS  91  -1.836  -7.426  12.064
  501    HG3  LYS  91           HG3      LYS  91  -1.845  -8.457  13.494
  502    HD2  LYS  91           HD2      LYS  91   0.327  -7.410  14.155
  503    HD3  LYS  91           HD3      LYS  91   0.126  -6.285  12.813
  504    HE2  LYS  91           HE2      LYS  91  -0.643  -5.268  14.873
  505    HE3  LYS  91           HE3      LYS  91  -1.999  -5.528  13.776
  506    HZ1  LYS  91           HZ1      LYS  91  -2.486  -7.594  15.040
  507    HZ2  LYS  91           HZ2      LYS  91  -2.664  -6.179  15.948
  508    HZ3  LYS  91           HZ3      LYS  91  -1.291  -7.152  16.162
  509    H    GLY  92           HN       GLY  92   0.577  -9.497   8.494
  510    HA2  GLY  92           HA1      GLY  92   2.620 -11.387   9.423
  511    HA3  GLY  92           HA2      GLY  92   1.141 -11.977   8.678
  512    H    VAL  93           HN       VAL  93   3.436  -9.375   7.965
  513    HA   VAL  93           HA       VAL  93   3.352 -10.099   5.150
  514    HB   VAL  93           HB       VAL  93   3.760  -7.633   6.603
  515   HG11  VAL  93          HG11      VAL  93   6.156  -8.037   6.158
  516   HG12  VAL  93          HG12      VAL  93   5.786  -8.190   4.438
  517   HG13  VAL  93          HG13      VAL  93   5.523  -6.653   5.265
  518   HG21  VAL  93          HG21      VAL  93   2.120  -8.022   4.839
  519   HG22  VAL  93          HG22      VAL  93   3.203  -6.690   4.429
  520   HG23  VAL  93          HG23      VAL  93   3.436  -8.269   3.682
  521    H    ASP  94           HN       ASP  94   4.992 -11.066   4.096
  522    HA   ASP  94           HA       ASP  94   7.249 -11.980   5.656
  523    HB2  ASP  94           HB2      ASP  94   6.461 -12.392   2.761
  524    HB3  ASP  94           HB3      ASP  94   7.938 -13.040   3.463
  525    H    PHE  95           HN       PHE  95   8.484 -10.212   6.126
  526    HA   PHE  95           HA       PHE  95   8.859  -8.040   4.398
  527    HB2  PHE  95           HB2      PHE  95  10.486  -9.017   6.742
  528    HB3  PHE  95           HB3      PHE  95  10.882  -7.545   5.861
  529    HD1  PHE  95           HD1      PHE  95   9.430  -5.601   5.978
  530    HD2  PHE  95           HD2      PHE  95   8.591  -9.118   8.215
  531    HE1  PHE  95           HE1      PHE  95   7.870  -4.327   7.390
  532    HE2  PHE  95           HE2      PHE  95   7.026  -7.853   9.629
  533    HZ   PHE  95           HZ       PHE  95   6.664  -5.453   9.220
  534    H    GLN  96           HN       GLN  96  10.329 -11.131   4.541
  535    HA   GLN  96           HA       GLN  96  12.660 -10.429   3.009
  536    HB2  GLN  96           HB2      GLN  96  11.451 -13.092   3.734
  537    HB3  GLN  96           HB3      GLN  96  12.925 -12.922   2.792
  538    HG2  GLN  96           HG2      GLN  96  12.466 -12.051   5.636
  539    HG3  GLN  96           HG3      GLN  96  13.532 -13.335   5.063
  540   HE21  GLN  96          HE21      GLN  96  13.089  -9.914   5.401
  541   HE22  GLN  96          HE22      GLN  96  14.703  -9.450   4.998
  542    H    LYS  97           HN       LYS  97   9.411 -11.453   2.299
  543    HA   LYS  97           HA       LYS  97  10.025 -11.923  -0.488
  544    HB2  LYS  97           HB2      LYS  97   8.021 -12.801   1.141
  545    HB3  LYS  97           HB3      LYS  97   7.219 -11.450   0.356
  546    HG2  LYS  97           HG2      LYS  97   8.558 -13.713  -1.110
  547    HG3  LYS  97           HG3      LYS  97   6.838 -13.643  -0.730
  548    HD2  LYS  97           HD2      LYS  97   6.627 -11.594  -2.058
  549    HD3  LYS  97           HD3      LYS  97   8.355 -11.660  -2.427
  550    HE2  LYS  97           HE2      LYS  97   7.031 -12.562  -4.270
  551    HE3  LYS  97           HE3      LYS  97   8.050 -13.806  -3.547
  552    HZ1  LYS  97           HZ1      LYS  97   5.128 -13.509  -3.444
  553    HZ2  LYS  97           HZ2      LYS  97   5.913 -14.274  -2.156
  554    HZ3  LYS  97           HZ3      LYS  97   6.060 -14.898  -3.727
  555    H    PHE  98           HN       PHE  98   9.200  -9.445   1.669
  556    HA   PHE  98           HA       PHE  98   8.346  -7.541  -0.348
  557    HB2  PHE  98           HB2      PHE  98   8.400  -7.634   2.620
  558    HB3  PHE  98           HB3      PHE  98   8.419  -6.059   1.833
  559    HD1  PHE  98           HD1      PHE  98   6.570  -5.313   0.504
  560    HD2  PHE  98           HD2      PHE  98   6.443  -9.049   2.526
  561    HE1  PHE  98           HE1      PHE  98   4.145  -5.395   0.172
  562    HE2  PHE  98           HE2      PHE  98   4.013  -9.144   2.190
  563    HZ   PHE  98           HZ       PHE  98   2.863  -7.317   1.016
  564    H    CYS  99           HN       CYS  99  11.181  -8.691   0.101
  565    HA   CYS  99           HA       CYS  99  12.788  -6.450   0.776
  566    HB2  CYS  99           HB2      CYS  99  13.292  -9.097  -0.519
  567    HB3  CYS  99           HB3      CYS  99  14.564  -7.887  -0.411
  568    HG   CYS  99           HG       CYS  99  15.369  -8.770   1.851
  569    H    MET 100           HN       MET 100  11.730  -4.874  -0.610
  570    HA   MET 100           HA       MET 100  12.902  -4.950  -3.299
  571    HB2  MET 100           HB2      MET 100  10.375  -3.643  -2.332
  572    HB3  MET 100           HB3      MET 100  11.196  -3.072  -3.776
  573    HG2  MET 100           HG2      MET 100   9.625  -4.486  -4.646
  574    HG3  MET 100           HG3      MET 100  11.051  -5.536  -4.527
  575    HE1  MET 100           HE1      MET 100   7.701  -4.480  -2.797
  576    HE2  MET 100           HE2      MET 100   7.641  -5.591  -1.428
  577    HE3  MET 100           HE3      MET 100   8.875  -4.332  -1.489
  578    H    SER 101           HN       SER 101  14.453  -3.529  -3.666
  579    HA   SER 101           HA       SER 101  14.690  -1.101  -2.148
  580    HB2  SER 101           HB2      SER 101  15.794  -1.707  -4.917
  581    HB3  SER 101           HB3      SER 101  16.359  -0.468  -3.795
  582    HG   SER 101           HG       SER 101  17.754  -2.083  -3.448
  583    H    GLY 102           HN       GLY 102  14.024   1.004  -3.116
  584    HA2  GLY 102           HA1      GLY 102  11.388   0.990  -3.829
  585    HA3  GLY 102           HA2      GLY 102  12.477   2.320  -4.148
  586    H    ALA 103           HN       ALA 103  14.137   1.174  -6.119
  587    HA   ALA 103           HA       ALA 103  12.604   1.461  -8.443
  588    HB1  ALA 103           HB1      ALA 103  15.247   0.044  -8.101
  589    HB2  ALA 103           HB2      ALA 103  14.555   0.577  -9.634
  590    HB3  ALA 103           HB3      ALA 103  15.022   1.765  -8.417
  591    H    ALA 104           HN       ALA 104  13.517  -1.360  -6.584
  592    HA   ALA 104           HA       ALA 104  12.361  -3.283  -8.340
  593    HB1  ALA 104           HB1      ALA 104  12.655  -4.846  -6.484
  594    HB2  ALA 104           HB2      ALA 104  14.113  -3.886  -6.743
  595    HB3  ALA 104           HB3      ALA 104  13.029  -3.500  -5.405
  596    H    LEU 105           HN       LEU 105  11.258  -1.714  -5.271
  597    HA   LEU 105           HA       LEU 105   8.813  -2.711  -4.957
  598    HB2  LEU 105           HB2      LEU 105   9.762  -0.904  -3.566
  599    HB3  LEU 105           HB3      LEU 105   9.475   0.253  -4.864
  600    HG   LEU 105           HG       LEU 105   7.054  -0.282  -4.732
  601   HD11  LEU 105          HD11      LEU 105   6.251  -1.412  -2.684
  602   HD12  LEU 105          HD12      LEU 105   7.135  -2.478  -3.783
  603   HD13  LEU 105          HD13      LEU 105   7.922  -1.861  -2.328
  604   HD21  LEU 105          HD21      LEU 105   8.259   0.673  -2.154
  605   HD22  LEU 105          HD22      LEU 105   7.991   1.657  -3.592
  606   HD23  LEU 105          HD23      LEU 105   6.615   0.975  -2.725
  607    H    CYS 106           HN       CYS 106   9.502  -0.020  -7.036
  608    HA   CYS 106           HA       CYS 106   7.052   0.170  -8.286
  609    HB2  CYS 106           HB2      CYS 106   8.785   1.877  -8.397
  610    HB3  CYS 106           HB3      CYS 106   9.804   0.796  -9.337
  611    HG   CYS 106           HG       CYS 106   8.956   1.573 -11.625
  612    H    ALA 107           HN       ALA 107   9.976  -1.513  -9.428
  613    HA   ALA 107           HA       ALA 107   9.123  -2.293 -11.894
  614    HB1  ALA 107           HB1      ALA 107  10.940  -3.878 -10.100
  615    HB2  ALA 107           HB2      ALA 107  10.884  -3.924 -11.863
  616    HB3  ALA 107           HB3      ALA 107  11.418  -2.460 -11.034
  617    H    LEU 108           HN       LEU 108   8.227  -3.849  -8.847
  618    HA   LEU 108           HA       LEU 108   7.573  -6.345  -9.929
  619    HB2  LEU 108           HB2      LEU 108   5.947  -6.479  -7.924
  620    HB3  LEU 108           HB3      LEU 108   7.670  -6.426  -7.641
  621    HG   LEU 108           HG       LEU 108   7.409  -3.951  -7.170
  622   HD11  LEU 108          HD11      LEU 108   5.294  -3.412  -8.147
  623   HD12  LEU 108          HD12      LEU 108   4.476  -4.673  -7.224
  624   HD13  LEU 108          HD13      LEU 108   5.123  -3.251  -6.400
  625   HD21  LEU 108          HD21      LEU 108   6.041  -5.961  -5.404
  626   HD22  LEU 108          HD22      LEU 108   7.761  -5.570  -5.435
  627   HD23  LEU 108          HD23      LEU 108   6.593  -4.364  -4.897
  628    H    GLY 109           HN       GLY 109   5.582  -3.422  -9.684
  629    HA2  GLY 109           HA1      GLY 109   3.572  -2.918 -10.694
  630    HA3  GLY 109           HA2      GLY 109   3.782  -4.348 -11.698
  631    H    LYS 110           HN       LYS 110   1.285  -3.760 -10.843
  632    HA   LYS 110           HA       LYS 110   0.375  -4.744  -8.461
  633    HB2  LYS 110           HB2      LYS 110  -1.571  -4.217  -9.420
  634    HB3  LYS 110           HB3      LYS 110  -0.775  -4.099 -10.978
  635    HG2  LYS 110           HG2      LYS 110  -2.489  -5.589 -11.389
  636    HG3  LYS 110           HG3      LYS 110  -1.123  -6.656 -11.084
  637    HD2  LYS 110           HD2      LYS 110  -2.118  -6.404  -8.594
  638    HD3  LYS 110           HD3      LYS 110  -3.592  -6.258  -9.552
  639    HE2  LYS 110           HE2      LYS 110  -1.581  -8.511  -9.731
  640    HE3  LYS 110           HE3      LYS 110  -3.142  -8.593  -8.920
  641    HZ1  LYS 110           HZ1      LYS 110  -3.089  -9.564 -11.193
  642    HZ2  LYS 110           HZ2      LYS 110  -2.833  -8.011 -11.817
  643    HZ3  LYS 110           HZ3      LYS 110  -4.269  -8.364 -10.984
  644    H    GLU 111           HN       GLU 111   0.831  -6.719 -11.419
  645    HA   GLU 111           HA       GLU 111  -0.036  -9.129 -10.514
  646    HB2  GLU 111           HB2      GLU 111   0.707  -8.720 -12.811
  647    HB3  GLU 111           HB3      GLU 111   2.378  -8.665 -12.268
  648    HG2  GLU 111           HG2      GLU 111   2.244 -10.996 -11.580
  649    HG3  GLU 111           HG3      GLU 111   0.558 -11.057 -12.095
  650    H    CYS 112           HN       CYS 112   3.319  -8.024 -10.250
  651    HA   CYS 112           HA       CYS 112   4.138 -10.375  -8.877
  652    HB2  CYS 112           HB2      CYS 112   5.552  -7.727  -9.185
  653    HB3  CYS 112           HB3      CYS 112   6.282  -9.193  -8.534
  654    HG   CYS 112           HG       CYS 112   5.297 -10.378 -11.213
  655    H    PHE 113           HN       PHE 113   3.544  -7.016  -7.776
  656    HA   PHE 113           HA       PHE 113   4.203  -7.359  -5.137
  657    HB2  PHE 113           HB2      PHE 113   3.349  -5.238  -6.413
  658    HB3  PHE 113           HB3      PHE 113   1.770  -5.737  -5.820
  659    HD1  PHE 113           HD2      PHE 113   1.648  -6.264  -3.202
  660    HD2  PHE 113           HD1      PHE 113   4.645  -3.894  -5.124
  661    HE1  PHE 113           HE2      PHE 113   2.123  -5.110  -1.092
  662    HE2  PHE 113           HE1      PHE 113   5.106  -2.758  -3.009
  663    HZ   PHE 113           HZ       PHE 113   3.896  -3.629  -0.873
  664    H    LEU 114           HN       LEU 114   1.070  -8.165  -6.653
  665    HA   LEU 114           HA       LEU 114  -0.005  -8.914  -4.091
  666    HB2  LEU 114           HB2      LEU 114  -1.298  -9.814  -6.612
  667    HB3  LEU 114           HB3      LEU 114  -2.025  -9.330  -5.092
  668    HG   LEU 114           HG       LEU 114  -1.116  -7.658  -7.379
  669   HD11  LEU 114          HD11      LEU 114  -3.453  -8.234  -7.159
  670   HD12  LEU 114          HD12      LEU 114  -3.476  -7.591  -5.514
  671   HD13  LEU 114          HD13      LEU 114  -3.219  -6.507  -6.880
  672   HD21  LEU 114          HD21      LEU 114  -1.503  -6.448  -4.666
  673   HD22  LEU 114          HD22      LEU 114   0.089  -6.834  -5.325
  674   HD23  LEU 114          HD23      LEU 114  -0.954  -5.675  -6.155
  675    H    GLU 115           HN       GLU 115   1.682 -10.508  -6.645
  676    HA   GLU 115           HA       GLU 115   1.279 -13.159  -5.668
  677    HB2  GLU 115           HB2      GLU 115   3.447 -11.921  -7.363
  678    HB3  GLU 115           HB3      GLU 115   3.414 -13.628  -6.951
  679    HG2  GLU 115           HG2      GLU 115   1.192 -12.218  -8.399
  680    HG3  GLU 115           HG3      GLU 115   2.514 -13.066  -9.205
  681    H    LEU 116           HN       LEU 116   2.889 -10.457  -4.614
  682    HA   LEU 116           HA       LEU 116   5.171 -11.789  -3.423
  683    HB2  LEU 116           HB2      LEU 116   5.915  -9.876  -4.347
  684    HB3  LEU 116           HB3      LEU 116   4.365  -9.068  -4.200
  685    HG   LEU 116           HG       LEU 116   5.901  -9.453  -1.701
  686   HD11  LEU 116          HD11      LEU 116   6.672  -7.476  -3.831
  687   HD12  LEU 116          HD12      LEU 116   7.291  -7.501  -2.179
  688   HD13  LEU 116          HD13      LEU 116   7.654  -8.833  -3.276
  689   HD21  LEU 116          HD21      LEU 116   4.359  -7.181  -2.904
  690   HD22  LEU 116          HD22      LEU 116   3.759  -8.325  -1.703
  691   HD23  LEU 116          HD23      LEU 116   5.056  -7.206  -1.285
  692    H    ALA 117           HN       ALA 117   2.155 -10.340  -2.477
  693    HA   ALA 117           HA       ALA 117   2.634 -11.294   0.281
  694    HB1  ALA 117           HB1      ALA 117   2.704  -8.859   0.312
  695    HB2  ALA 117           HB2      ALA 117   1.152  -8.783  -0.526
  696    HB3  ALA 117           HB3      ALA 117   1.240  -9.430   1.115
  697    HA   PRO 118           HA       PRO 118  -1.607 -13.102   0.063
  698    HB2  PRO 118           HB2      PRO 118  -2.487 -10.892   1.867
  699    HB3  PRO 118           HB3      PRO 118  -2.832 -12.622   1.968
  700    HG2  PRO 118           HG2      PRO 118  -1.041 -11.488   3.592
  701    HG3  PRO 118           HG3      PRO 118  -0.785 -13.114   2.932
  702    HD2  PRO 118           HD2      PRO 118   0.522 -10.547   2.201
  703    HD3  PRO 118           HD3      PRO 118   1.160 -12.203   2.138
  704    H    ASP 119           HN       ASP 119  -3.154 -12.687  -1.432
  705    HA   ASP 119           HA       ASP 119  -2.802 -10.616  -3.222
  706    HB2  ASP 119           HB2      ASP 119  -4.863 -11.328  -4.300
  707    HB3  ASP 119           HB3      ASP 119  -3.911 -12.721  -3.796
  708    H    PHE 120           HN       PHE 120  -4.479 -10.345  -0.220
  709    HA   PHE 120           HA       PHE 120  -6.063  -8.097  -1.163
  710    HB2  PHE 120           HB2      PHE 120  -7.080  -9.652   0.488
  711    HB3  PHE 120           HB3      PHE 120  -5.810  -9.217   1.627
  712    HD1  PHE 120           HD1      PHE 120  -7.449  -6.808  -0.628
  713    HD2  PHE 120           HD2      PHE 120  -7.220  -8.369   3.327
  714    HE1  PHE 120           HE1      PHE 120  -8.805  -4.928   0.187
  715    HE2  PHE 120           HE2      PHE 120  -8.574  -6.486   4.150
  716    HZ   PHE 120           HZ       PHE 120  -9.367  -4.763   2.579
  717    H    VAL 121           HN       VAL 121  -3.397  -8.924   0.871
  718    HA   VAL 121           HA       VAL 121  -2.862  -6.337   1.870
  719    HB   VAL 121           HB       VAL 121  -1.150  -8.811   1.699
  720   HG11  VAL 121          HG11      VAL 121   0.157  -6.764   2.053
  721   HG12  VAL 121          HG12      VAL 121  -0.852  -6.372   3.446
  722   HG13  VAL 121          HG13      VAL 121   0.172  -7.811   3.474
  723   HG21  VAL 121          HG21      VAL 121  -2.831  -7.760   3.962
  724   HG22  VAL 121          HG22      VAL 121  -3.357  -9.005   2.824
  725   HG23  VAL 121          HG23      VAL 121  -1.977  -9.306   3.890
  726    H    GLY 122           HN       GLY 122  -1.477  -8.355  -0.712
  727    HA2  GLY 122           HA1      GLY 122   0.494  -6.627  -1.599
  728    HA3  GLY 122           HA2      GLY 122  -0.395  -7.749  -2.623
  729    H    ASP 123           HN       ASP 123  -2.970  -6.690  -2.450
  730    HA   ASP 123           HA       ASP 123  -2.669  -4.515  -4.293
  731    HB2  ASP 123           HB2      ASP 123  -4.382  -6.201  -4.707
  732    HB3  ASP 123           HB3      ASP 123  -5.183  -5.793  -3.184
  733    H    ILE 124           HN       ILE 124  -3.827  -4.912  -0.978
  734    HA   ILE 124           HA       ILE 124  -4.510  -2.318  -0.363
  735    HB   ILE 124           HB       ILE 124  -3.242  -4.525   1.202
  736   HG12  ILE 124          HG12      ILE 124  -5.754  -2.888   1.616
  737   HG13  ILE 124          HG13      ILE 124  -5.679  -4.433   0.775
  738   HG21  ILE 124          HG21      ILE 124  -3.658  -1.747   2.324
  739   HG22  ILE 124          HG22      ILE 124  -3.189  -3.178   3.241
  740   HG23  ILE 124          HG23      ILE 124  -2.096  -2.509   2.029
  741   HD11  ILE 124          HD11      ILE 124  -4.897  -4.035   3.654
  742   HD12  ILE 124          HD12      ILE 124  -6.477  -4.603   3.108
  743   HD13  ILE 124          HD13      ILE 124  -5.036  -5.569   2.783
  744    H    LEU 125           HN       LEU 125  -1.266  -3.677   0.116
  745    HA   LEU 125           HA       LEU 125   0.009  -1.231   0.434
  746    HB2  LEU 125           HB2      LEU 125   0.802  -4.015  -0.160
  747    HB3  LEU 125           HB3      LEU 125   1.991  -2.761  -0.489
  748    HG   LEU 125           HG       LEU 125   0.601  -3.084   2.160
  749   HD11  LEU 125          HD11      LEU 125   1.954  -5.061   1.673
  750   HD12  LEU 125          HD12      LEU 125   3.338  -4.026   1.323
  751   HD13  LEU 125          HD13      LEU 125   2.672  -4.085   2.955
  752   HD21  LEU 125          HD21      LEU 125   2.407  -1.623   2.933
  753   HD22  LEU 125          HD22      LEU 125   3.010  -1.509   1.276
  754   HD23  LEU 125          HD23      LEU 125   1.426  -0.852   1.686
  755    H    TRP 126           HN       TRP 126  -0.635  -3.127  -2.472
  756    HA   TRP 126           HA       TRP 126   0.875  -1.543  -4.233
  757    HB2  TRP 126           HB2      TRP 126   0.136  -3.696  -5.005
  758    HB3  TRP 126           HB3      TRP 126  -1.558  -3.265  -4.757
  759    HD1  TRP 126           HD1      TRP 126  -2.781  -2.380  -6.798
  760    HE1  TRP 126           HE1      TRP 126  -2.095  -1.358  -9.079
  761    HE3  TRP 126           HE3      TRP 126   2.265  -2.298  -6.141
  762    HZ2  TRP 126           HZ2      TRP 126   0.314  -0.620 -10.393
  763    HZ3  TRP 126           HZ3      TRP 126   3.692  -1.425  -7.942
  764    HH2  TRP 126           HH2      TRP 126   2.735  -0.610 -10.030
  765    H    GLU 127           HN       GLU 127  -2.507  -1.251  -3.122
  766    HA   GLU 127           HA       GLU 127  -3.238   0.914  -4.701
  767    HB2  GLU 127           HB2      GLU 127  -4.174  -0.216  -2.179
  768    HB3  GLU 127           HB3      GLU 127  -4.361   1.532  -2.245
  769    HG2  GLU 127           HG2      GLU 127  -5.375  -0.372  -4.335
  770    HG3  GLU 127           HG3      GLU 127  -6.344   0.281  -3.014
  771    H    HIS 128           HN       HIS 128  -1.863   1.077  -1.378
  772    HA   HIS 128           HA       HIS 128  -1.431   3.859  -1.607
  773    HB2  HIS 128           HB2      HIS 128  -1.362   2.567   0.582
  774    HB3  HIS 128           HB3      HIS 128   0.271   2.072   0.139
  775    HD1  HIS 128           HD1      HIS 128   0.686   3.491   2.502
  776    HD2  HIS 128           HD2      HIS 128  -0.180   5.655  -0.938
  777    HE1  HIS 128           HE1      HIS 128   1.395   5.856   2.996
  778    HE2  HIS 128           HE2      HIS 128   0.940   7.142   0.869
  779    H    LEU 129           HN       LEU 129   0.582   1.135  -2.662
  780    HA   LEU 129           HA       LEU 129   2.863   2.607  -3.277
  781    HB2  LEU 129           HB2      LEU 129   2.668   0.133  -3.473
  782    HB3  LEU 129           HB3      LEU 129   1.641   0.347  -4.878
  783    HG   LEU 129           HG       LEU 129   3.407   1.005  -6.244
  784   HD11  LEU 129          HD11      LEU 129   4.208   2.758  -4.622
  785   HD12  LEU 129          HD12      LEU 129   5.122   1.493  -3.804
  786   HD13  LEU 129          HD13      LEU 129   5.497   1.904  -5.479
  787   HD21  LEU 129          HD21      LEU 129   3.641  -1.340  -5.520
  788   HD22  LEU 129          HD22      LEU 129   5.190  -0.592  -5.908
  789   HD23  LEU 129          HD23      LEU 129   4.717  -0.812  -4.224
  790    H    GLU 130           HN       GLU 130  -0.050   1.950  -5.145
  791    HA   GLU 130           HA       GLU 130   0.748   3.518  -7.310
  792    HB2  GLU 130           HB2      GLU 130  -0.946   1.622  -7.336
  793    HB3  GLU 130           HB3      GLU 130  -2.093   2.748  -6.621
  794    HG2  GLU 130           HG2      GLU 130  -1.894   4.194  -8.579
  795    HG3  GLU 130           HG3      GLU 130  -0.733   3.073  -9.291
  796    H    ILE 131           HN       ILE 131  -1.196   4.104  -4.508
  797    HA   ILE 131           HA       ILE 131  -2.020   6.713  -5.014
  798    HB   ILE 131           HB       ILE 131  -1.669   5.003  -2.642
  799   HG12  ILE 131          HG12      ILE 131  -4.012   5.586  -2.243
  800   HG13  ILE 131          HG13      ILE 131  -3.942   6.805  -3.511
  801   HG21  ILE 131          HG21      ILE 131  -0.670   7.061  -1.807
  802   HG22  ILE 131          HG22      ILE 131  -2.058   7.986  -2.374
  803   HG23  ILE 131          HG23      ILE 131  -2.257   6.813  -1.070
  804   HD11  ILE 131          HD11      ILE 131  -3.772   3.820  -3.856
  805   HD12  ILE 131          HD12      ILE 131  -5.105   4.877  -4.317
  806   HD13  ILE 131          HD13      ILE 131  -3.560   4.998  -5.158
  807    H    LEU 132           HN       LEU 132   1.010   5.549  -3.471
  808    HA   LEU 132           HA       LEU 132   2.145   8.025  -2.903
  809    HB2  LEU 132           HB2      LEU 132   3.641   5.660  -4.031
  810    HB3  LEU 132           HB3      LEU 132   4.352   7.017  -3.186
  811    HG   LEU 132           HG       LEU 132   2.305   5.457  -1.708
  812   HD11  LEU 132          HD11      LEU 132   3.564   3.738  -2.881
  813   HD12  LEU 132          HD12      LEU 132   5.079   4.428  -2.299
  814   HD13  LEU 132          HD13      LEU 132   3.933   3.725  -1.157
  815   HD21  LEU 132          HD21      LEU 132   4.006   5.735   0.127
  816   HD22  LEU 132          HD22      LEU 132   4.995   6.665  -0.999
  817   HD23  LEU 132          HD23      LEU 132   3.398   7.260  -0.533
  818    H    GLN 133           HN       GLN 133   1.952   6.235  -5.901
  819    HA   GLN 133           HA       GLN 133   3.455   8.010  -7.519
  820    HB2  GLN 133           HB2      GLN 133   1.449   5.865  -8.045
  821    HB3  GLN 133           HB3      GLN 133   1.767   7.017  -9.331
  822    HG2  GLN 133           HG2      GLN 133   3.094   4.924  -9.471
  823    HG3  GLN 133           HG3      GLN 133   4.062   6.395  -9.422
  824   HE21  GLN 133          HE21      GLN 133   3.196   3.467  -7.737
  825   HE22  GLN 133          HE22      GLN 133   4.359   3.656  -6.481
  826    H    LYS 134           HN       LYS 134  -0.025   7.785  -6.736
  827    HA   LYS 134           HA       LYS 134  -0.872   9.957  -8.255
  828    HB2  LYS 134           HB2      LYS 134  -2.738   8.849  -7.671
  829    HB3  LYS 134           HB3      LYS 134  -1.912   8.033  -6.354
  830    HG2  LYS 134           HG2      LYS 134  -2.884  10.834  -5.977
  831    HG3  LYS 134           HG3      LYS 134  -4.012   9.481  -5.890
  832    HD2  LYS 134           HD2      LYS 134  -2.502   8.437  -4.186
  833    HD3  LYS 134           HD3      LYS 134  -1.553   9.921  -4.198
  834    HE2  LYS 134           HE2      LYS 134  -4.465   9.672  -3.445
  835    HE3  LYS 134           HE3      LYS 134  -3.115   9.902  -2.334
  836    HZ1  LYS 134           HZ1      LYS 134  -4.169  11.988  -2.676
  837    HZ2  LYS 134           HZ2      LYS 134  -4.124  11.826  -4.360
  838    HZ3  LYS 134           HZ3      LYS 134  -2.685  12.050  -3.492
  839    H    GLU 135           HN       GLU 135   0.567   9.811  -5.079
  840    HA   GLU 135           HA       GLU 135  -0.369  12.315  -4.166
  841    HB2  GLU 135           HB2      GLU 135   1.914  10.604  -3.194
  842    HB3  GLU 135           HB3      GLU 135   1.325  12.039  -2.359
  843    HG2  GLU 135           HG2      GLU 135  -0.962  10.906  -2.398
  844    HG3  GLU 135           HG3      GLU 135  -0.095   9.440  -2.834
  845    H    ASP 136           HN       ASP 136   1.600  11.847  -6.650
  846    HA   ASP 136           HA       ASP 136   2.607  13.402  -7.975
  847    HB2  ASP 136           HB2      ASP 136   1.399  15.229  -6.904
  848    HB3  ASP 136           HB3      ASP 136   2.541  15.233  -5.566
  849    H    VAL 137           HN       VAL 137   4.118  11.708  -7.818
  850    HA   VAL 137           HA       VAL 137   6.551  12.399  -6.314
  851    HB   VAL 137           HB       VAL 137   7.097   9.945  -6.576
  852   HG11  VAL 137          HG11      VAL 137   6.264  10.876  -4.483
  853   HG12  VAL 137          HG12      VAL 137   4.604  10.685  -5.048
  854   HG13  VAL 137          HG13      VAL 137   5.605   9.263  -4.754
  855   HG21  VAL 137          HG21      VAL 137   5.259   8.428  -7.060
  856   HG22  VAL 137          HG22      VAL 137   4.195   9.796  -7.383
  857   HG23  VAL 137          HG23      VAL 137   5.575   9.483  -8.437
  858    H    LYS 138           HN       LYS 138   5.345  12.743  -9.249
  859    HA   LYS 138           HA       LYS 138   7.912  12.789 -10.529
  860    HB2  LYS 138           HB2      LYS 138   7.286  10.439 -10.881
  861    HB3  LYS 138           HB3      LYS 138   5.750  10.944 -11.574
  862    HG2  LYS 138           HG2      LYS 138   7.046  12.134 -13.350
  863    HG3  LYS 138           HG3      LYS 138   8.502  11.373 -12.706
  864    HD2  LYS 138           HD2      LYS 138   7.630   9.183 -13.182
  865    HD3  LYS 138           HD3      LYS 138   6.071   9.864 -13.657
  866    HE2  LYS 138           HE2      LYS 138   8.711  10.292 -15.051
  867    HE3  LYS 138           HE3      LYS 138   7.381   9.282 -15.617
  868    HZ1  LYS 138           HZ1      LYS 138   5.996  11.309 -15.680
  869    HZ2  LYS 138           HZ2      LYS 138   7.303  11.367 -16.751
  870    HZ3  LYS 138           HZ3      LYS 138   7.360  12.238 -15.297
  Start of MODEL   15
    1    H1   MET  29           H1       MET  29 -21.161   2.288  -7.055
    2    H2   MET  29           H2       MET  29 -21.650   1.718  -5.535
    3    H3   MET  29           H3       MET  29 -20.010   1.953  -5.860
    4    HA   MET  29           HA       MET  29 -20.309   4.311  -6.053
    5    HB2  MET  29           HB2      MET  29 -23.186   3.719  -5.325
    6    HB3  MET  29           HB3      MET  29 -22.476   5.323  -5.406
    7    HG2  MET  29           HG2      MET  29 -23.721   4.986  -7.389
    8    HG3  MET  29           HG3      MET  29 -22.015   4.907  -7.824
    9    HE1  MET  29           HE1      MET  29 -24.677   3.831  -9.451
   10    HE2  MET  29           HE2      MET  29 -23.061   3.859 -10.157
   11    HE3  MET  29           HE3      MET  29 -24.009   2.370 -10.181
   12    H    GLU  30           HN       GLU  30 -22.456   2.724  -3.692
   13    HA   GLU  30           HA       GLU  30 -22.437   2.629  -1.427
   14    HB2  GLU  30           HB2      GLU  30 -19.459   2.505  -1.928
   15    HB3  GLU  30           HB3      GLU  30 -20.216   2.164  -0.380
   16    HG2  GLU  30           HG2      GLU  30 -19.685   0.106  -1.512
   17    HG3  GLU  30           HG3      GLU  30 -21.434   0.292  -1.410
   18    H    CYS  31           HN       CYS  31 -23.209   4.906  -1.683
   19    HA   CYS  31           HA       CYS  31 -21.391   7.033  -1.068
   20    HB2  CYS  31           HB2      CYS  31 -24.416   7.034  -0.999
   21    HB3  CYS  31           HB3      CYS  31 -23.367   8.446  -1.079
   22    HG   CYS  31           HG       CYS  31 -22.687   8.254  -3.651
   23    H    ALA  32           HN       ALA  32 -22.817   8.538   0.786
   24    HA   ALA  32           HA       ALA  32 -21.647   7.646   3.142
   25    HB1  ALA  32           HB1      ALA  32 -22.868   9.425   4.254
   26    HB2  ALA  32           HB2      ALA  32 -22.224   9.982   2.709
   27    HB3  ALA  32           HB3      ALA  32 -23.936   9.584   2.859
   28    H    ASP  33           HN       ASP  33 -25.125   7.556   2.267
   29    HA   ASP  33           HA       ASP  33 -25.441   5.577   4.423
   30    HB2  ASP  33           HB2      ASP  33 -27.259   7.856   3.682
   31    HB3  ASP  33           HB3      ASP  33 -27.804   6.494   4.655
   32    H    VAL  34           HN       VAL  34 -25.309   5.518   1.249
   33    HA   VAL  34           HA       VAL  34 -27.451   3.515   1.179
   34    HB   VAL  34           HB       VAL  34 -27.764   3.905  -1.245
   35   HG11  VAL  34          HG11      VAL  34 -29.331   4.844   0.335
   36   HG12  VAL  34          HG12      VAL  34 -28.312   6.268   0.542
   37   HG13  VAL  34          HG13      VAL  34 -29.095   5.962  -1.009
   38   HG21  VAL  34          HG21      VAL  34 -27.015   6.014  -2.248
   39   HG22  VAL  34          HG22      VAL  34 -26.079   6.370  -0.794
   40   HG23  VAL  34          HG23      VAL  34 -25.658   4.981  -1.801
   41    HA   PRO  35           HA       PRO  35 -23.867   0.961   0.094
   42    HB2  PRO  35           HB2      PRO  35 -25.612  -1.122   1.193
   43    HB3  PRO  35           HB3      PRO  35 -23.971  -0.676   1.669
   44    HG2  PRO  35           HG2      PRO  35 -26.081  -0.173   3.244
   45    HG3  PRO  35           HG3      PRO  35 -24.694   0.927   3.151
   46    HD2  PRO  35           HD2      PRO  35 -27.364   1.139   1.792
   47    HD3  PRO  35           HD3      PRO  35 -26.436   2.396   2.643
   48    H    LEU  36           HN       LEU  36 -23.722  -0.019  -1.813
   49    HA   LEU  36           HA       LEU  36 -26.172  -1.123  -3.015
   50    HB2  LEU  36           HB2      LEU  36 -23.860   0.149  -4.487
   51    HB3  LEU  36           HB3      LEU  36 -25.279  -0.565  -5.229
   52    HG   LEU  36           HG       LEU  36 -25.237   1.908  -3.496
   53   HD11  LEU  36          HD11      LEU  36 -25.872   3.065  -5.551
   54   HD12  LEU  36          HD12      LEU  36 -24.304   2.273  -5.712
   55   HD13  LEU  36          HD13      LEU  36 -25.736   1.552  -6.446
   56   HD21  LEU  36          HD21      LEU  36 -27.295   0.622  -3.184
   57   HD22  LEU  36          HD22      LEU  36 -27.597   2.129  -4.049
   58   HD23  LEU  36          HD23      LEU  36 -27.547   0.600  -4.929
   59    H    LEU  37           HN       LEU  37 -22.673  -1.236  -3.636
   60    HA   LEU  37           HA       LEU  37 -22.750  -4.124  -3.871
   61    HB2  LEU  37           HB2      LEU  37 -20.514  -2.097  -3.977
   62    HB3  LEU  37           HB3      LEU  37 -20.206  -3.821  -3.992
   63    HG   LEU  37           HG       LEU  37 -20.096  -2.998  -6.244
   64   HD11  LEU  37          HD11      LEU  37 -21.060  -5.203  -5.978
   65   HD12  LEU  37          HD12      LEU  37 -22.666  -4.500  -5.792
   66   HD13  LEU  37          HD13      LEU  37 -21.815  -4.359  -7.330
   67   HD21  LEU  37          HD21      LEU  37 -21.437  -0.968  -5.964
   68   HD22  LEU  37          HD22      LEU  37 -21.970  -1.914  -7.355
   69   HD23  LEU  37          HD23      LEU  37 -22.897  -1.951  -5.856
   70    H    THR  38           HN       THR  38 -22.002  -5.581  -2.342
   71    HA   THR  38           HA       THR  38 -22.184  -4.663   0.372
   72    HB   THR  38           HB       THR  38 -21.714  -7.075   0.926
   73    HG1  THR  38           HG1      THR  38 -20.584  -7.349  -1.222
   74   HG21  THR  38          HG21      THR  38 -23.997  -6.252   0.697
   75   HG22  THR  38          HG22      THR  38 -23.864  -7.896   0.071
   76   HG23  THR  38          HG23      THR  38 -23.936  -6.530  -1.044
   77    HA   PRO  39           HA       PRO  39 -17.824  -3.785   0.752
   78    HB2  PRO  39           HB2      PRO  39 -18.583  -3.242   3.545
   79    HB3  PRO  39           HB3      PRO  39 -17.860  -2.167   2.342
   80    HG2  PRO  39           HG2      PRO  39 -20.402  -1.865   3.139
   81    HG3  PRO  39           HG3      PRO  39 -19.898  -1.547   1.466
   82    HD2  PRO  39           HD2      PRO  39 -21.257  -3.964   2.609
   83    HD3  PRO  39           HD3      PRO  39 -21.602  -3.094   1.097
   84    H    SER  40           HN       SER  40 -16.681  -5.640   0.776
   85    HA   SER  40           HA       SER  40 -16.709  -7.148   3.294
   86    HB2  SER  40           HB2      SER  40 -18.067  -8.404   1.685
   87    HB3  SER  40           HB3      SER  40 -16.742  -8.375   0.525
   88    HG   SER  40           HG       SER  40 -15.835  -9.982   1.534
   89    H    SER  41           HN       SER  41 -14.961  -7.101   0.152
   90    HA   SER  41           HA       SER  41 -12.536  -7.693   1.647
   91    HB2  SER  41           HB2      SER  41 -13.370  -8.878  -0.531
   92    HB3  SER  41           HB3      SER  41 -12.607  -7.506  -1.335
   93    HG   SER  41           HG       SER  41 -11.056  -8.669   0.620
   94    H    LYS  42           HN       LYS  42 -13.358  -5.437  -1.037
   95    HA   LYS  42           HA       LYS  42 -10.915  -3.990  -0.382
   96    HB2  LYS  42           HB2      LYS  42 -11.281  -4.566  -2.731
   97    HB3  LYS  42           HB3      LYS  42 -12.751  -3.598  -2.742
   98    HG2  LYS  42           HG2      LYS  42 -11.632  -1.665  -2.930
   99    HG3  LYS  42           HG3      LYS  42 -10.366  -2.167  -1.805
  100    HD2  LYS  42           HD2      LYS  42  -9.437  -3.600  -3.644
  101    HD3  LYS  42           HD3      LYS  42 -10.604  -2.845  -4.737
  102    HE2  LYS  42           HE2      LYS  42  -9.661  -0.660  -4.293
  103    HE3  LYS  42           HE3      LYS  42  -8.562  -1.343  -3.097
  104    HZ1  LYS  42           HZ1      LYS  42  -8.548  -1.953  -6.003
  105    HZ2  LYS  42           HZ2      LYS  42  -7.475  -2.598  -4.853
  106    HZ3  LYS  42           HZ3      LYS  42  -7.459  -0.942  -5.201
  107    H    GLU  43           HN       GLU  43 -14.336  -3.543   0.004
  108    HA   GLU  43           HA       GLU  43 -14.462  -0.751  -0.116
  109    HB2  GLU  43           HB2      GLU  43 -16.059  -2.709   1.529
  110    HB3  GLU  43           HB3      GLU  43 -16.410  -0.988   1.477
  111    HG2  GLU  43           HG2      GLU  43 -17.874  -2.166  -0.002
  112    HG3  GLU  43           HG3      GLU  43 -16.777  -1.157  -0.944
  113    H    MET  44           HN       MET  44 -13.380  -2.896   2.388
  114    HA   MET  44           HA       MET  44 -13.314  -1.066   4.505
  115    HB2  MET  44           HB2      MET  44 -11.797  -3.611   3.967
  116    HB3  MET  44           HB3      MET  44 -11.564  -2.680   5.443
  117    HG2  MET  44           HG2      MET  44 -13.148  -4.524   5.751
  118    HG3  MET  44           HG3      MET  44 -13.895  -2.954   6.033
  119    HE1  MET  44           HE1      MET  44 -15.861  -5.341   5.719
  120    HE2  MET  44           HE2      MET  44 -16.359  -3.652   5.809
  121    HE3  MET  44           HE3      MET  44 -17.003  -4.691   4.535
  122    H    MET  45           HN       MET  45 -10.664  -2.067   2.284
  123    HA   MET  45           HA       MET  45  -8.876  -0.078   3.245
  124    HB2  MET  45           HB2      MET  45  -7.542  -0.473   1.238
  125    HB3  MET  45           HB3      MET  45  -8.034  -2.001   1.975
  126    HG2  MET  45           HG2      MET  45  -9.873  -2.131   0.308
  127    HG3  MET  45           HG3      MET  45  -9.222  -0.674  -0.446
  128    HE1  MET  45           HE1      MET  45  -6.047  -1.160  -0.291
  129    HE2  MET  45           HE2      MET  45  -5.879  -1.797  -1.925
  130    HE3  MET  45           HE3      MET  45  -7.009  -0.480  -1.600
  131    H    SER  46           HN       SER  46 -11.285  -0.083   0.662
  132    HA   SER  46           HA       SER  46 -10.674   2.282  -0.593
  133    HB2  SER  46           HB2      SER  46 -12.479   0.704  -1.245
  134    HB3  SER  46           HB3      SER  46 -13.459   1.299   0.094
  135    HG   SER  46           HG       SER  46 -13.895   3.066  -0.992
  136    H    GLN  47           HN       GLN  47 -12.804   1.906   2.236
  137    HA   GLN  47           HA       GLN  47 -12.824   4.735   2.685
  138    HB2  GLN  47           HB2      GLN  47 -14.013   4.138   4.838
  139    HB3  GLN  47           HB3      GLN  47 -14.807   3.663   3.346
  140    HG2  GLN  47           HG2      GLN  47 -13.764   1.367   3.714
  141    HG3  GLN  47           HG3      GLN  47 -13.391   1.931   5.342
  142   HE21  GLN  47          HE21      GLN  47 -15.228  -0.162   4.276
  143   HE22  GLN  47          HE22      GLN  47 -16.777   0.195   4.957
  144    H    ALA  48           HN       ALA  48 -11.166   2.001   4.276
  145    HA   ALA  48           HA       ALA  48 -10.047   3.658   6.316
  146    HB1  ALA  48           HB1      ALA  48  -9.190   0.896   5.475
  147    HB2  ALA  48           HB2      ALA  48  -8.766   1.716   6.977
  148    HB3  ALA  48           HB3      ALA  48 -10.442   1.266   6.661
  149    H    LEU  49           HN       LEU  49  -8.599   2.191   3.351
  150    HA   LEU  49           HA       LEU  49  -5.955   2.997   4.075
  151    HB2  LEU  49           HB2      LEU  49  -7.221   1.401   2.047
  152    HB3  LEU  49           HB3      LEU  49  -6.141   2.559   1.294
  153    HG   LEU  49           HG       LEU  49  -5.494   0.318   3.155
  154   HD11  LEU  49          HD11      LEU  49  -3.812  -0.083   1.363
  155   HD12  LEU  49          HD12      LEU  49  -5.494  -0.172   0.833
  156   HD13  LEU  49          HD13      LEU  49  -4.531   1.257   0.471
  157   HD21  LEU  49          HD21      LEU  49  -3.781   2.739   2.617
  158   HD22  LEU  49          HD22      LEU  49  -4.328   2.137   4.178
  159   HD23  LEU  49          HD23      LEU  49  -3.157   1.210   3.237
  160    H    LYS  50           HN       LYS  50  -8.218   3.957   1.520
  161    HA   LYS  50           HA       LYS  50  -6.543   5.830   0.370
  162    HB2  LYS  50           HB2      LYS  50  -9.565   5.916   0.363
  163    HB3  LYS  50           HB3      LYS  50  -8.488   6.645  -0.822
  164    HG2  LYS  50           HG2      LYS  50  -8.882   3.709  -0.309
  165    HG3  LYS  50           HG3      LYS  50  -9.423   4.624  -1.719
  166    HD2  LYS  50           HD2      LYS  50  -6.527   4.319  -0.908
  167    HD3  LYS  50           HD3      LYS  50  -7.331   3.283  -2.087
  168    HE2  LYS  50           HE2      LYS  50  -7.292   6.273  -2.384
  169    HE3  LYS  50           HE3      LYS  50  -5.942   5.277  -2.934
  170    HZ1  LYS  50           HZ1      LYS  50  -7.422   5.644  -4.757
  171    HZ2  LYS  50           HZ2      LYS  50  -8.763   5.130  -3.859
  172    HZ3  LYS  50           HZ3      LYS  50  -7.560   4.017  -4.294
  173    H    ALA  51           HN       ALA  51  -8.689   6.068   3.074
  174    HA   ALA  51           HA       ALA  51  -8.452   8.926   3.378
  175    HB1  ALA  51           HB1      ALA  51  -9.440   6.885   5.358
  176    HB2  ALA  51           HB2      ALA  51  -9.649   8.633   5.453
  177    HB3  ALA  51           HB3      ALA  51 -10.438   7.721   4.167
  178    H    THR  52           HN       THR  52  -6.859   6.062   4.692
  179    HA   THR  52           HA       THR  52  -5.689   7.463   6.910
  180    HB   THR  52           HB       THR  52  -6.369   5.016   6.880
  181    HG1  THR  52           HG1      THR  52  -4.622   4.462   8.268
  182   HG21  THR  52          HG21      THR  52  -3.709   4.715   5.473
  183   HG22  THR  52          HG22      THR  52  -5.286   4.411   4.743
  184   HG23  THR  52          HG23      THR  52  -4.720   3.400   6.079
  185    H    PHE  53           HN       PHE  53  -4.835   7.342   3.705
  186    HA   PHE  53           HA       PHE  53  -2.176   6.586   3.713
  187    HB2  PHE  53           HB2      PHE  53  -3.683   8.448   1.899
  188    HB3  PHE  53           HB3      PHE  53  -1.987   8.054   1.630
  189    HD1  PHE  53           HD2      PHE  53  -2.012   5.194   2.446
  190    HD2  PHE  53           HD1      PHE  53  -4.719   7.456   0.085
  191    HE1  PHE  53           HE2      PHE  53  -2.695   3.152   1.269
  192    HE2  PHE  53           HE1      PHE  53  -5.406   5.415  -1.093
  193    HZ   PHE  53           HZ       PHE  53  -4.337   3.239  -0.505
  194    H    SER  54           HN       SER  54  -3.572   9.579   4.714
  195    HA   SER  54           HA       SER  54  -1.364  11.266   4.481
  196    HB2  SER  54           HB2      SER  54  -2.563  12.471   6.434
  197    HB3  SER  54           HB3      SER  54  -3.418  12.308   4.899
  198    HG   SER  54           HG       SER  54  -3.799  10.900   7.319
  199    H    GLY  55           HN       GLY  55  -2.065   8.731   6.736
  200    HA2  GLY  55           HA1      GLY  55  -0.537   9.465   8.936
  201    HA3  GLY  55           HA2      GLY  55  -0.848   7.812   8.431
  202    H    PHE  56           HN       PHE  56   0.576   7.194   6.395
  203    HA   PHE  56           HA       PHE  56   3.258   7.374   7.425
  204    HB2  PHE  56           HB2      PHE  56   2.438   5.260   6.429
  205    HB3  PHE  56           HB3      PHE  56   2.318   6.061   4.865
  206    HD1  PHE  56           HD1      PHE  56   4.635   4.824   7.435
  207    HD2  PHE  56           HD2      PHE  56   4.258   6.496   3.540
  208    HE1  PHE  56           HE1      PHE  56   6.993   4.296   6.982
  209    HE2  PHE  56           HE2      PHE  56   6.616   5.978   3.084
  210    HZ   PHE  56           HZ       PHE  56   7.987   4.869   4.806
  211    H    THR  57           HN       THR  57   1.509   8.562   4.656
  212    HA   THR  57           HA       THR  57   3.613   9.657   3.167
  213    HB   THR  57           HB       THR  57   0.843  10.811   3.475
  214    HG1  THR  57           HG1      THR  57   0.264   9.418   1.814
  215   HG21  THR  57          HG21      THR  57   1.197  11.634   1.176
  216   HG22  THR  57          HG22      THR  57   2.848  11.015   1.221
  217   HG23  THR  57          HG23      THR  57   2.363  12.318   2.307
  218    H    LYS  58           HN       LYS  58   2.237  10.652   6.159
  219    HA   LYS  58           HA       LYS  58   3.190  13.392   6.039
  220    HB2  LYS  58           HB2      LYS  58   1.180  12.826   7.375
  221    HB3  LYS  58           HB3      LYS  58   2.183  11.835   8.429
  222    HG2  LYS  58           HG2      LYS  58   3.531  13.925   8.887
  223    HG3  LYS  58           HG3      LYS  58   2.239  14.815   8.077
  224    HD2  LYS  58           HD2      LYS  58   0.626  13.981   9.690
  225    HD3  LYS  58           HD3      LYS  58   1.882  13.017  10.473
  226    HE2  LYS  58           HE2      LYS  58   3.117  15.199  10.851
  227    HE3  LYS  58           HE3      LYS  58   1.631  16.013  10.360
  228    HZ1  LYS  58           HZ1      LYS  58   1.928  14.130  12.637
  229    HZ2  LYS  58           HZ2      LYS  58   0.470  14.848  12.152
  230    HZ3  LYS  58           HZ3      LYS  58   1.733  15.811  12.752
  231    H    GLU  59           HN       GLU  59   4.117  10.345   7.574
  232    HA   GLU  59           HA       GLU  59   6.339  11.605   8.946
  233    HB2  GLU  59           HB2      GLU  59   6.303   9.823  10.305
  234    HB3  GLU  59           HB3      GLU  59   4.792   9.386   9.510
  235    HG2  GLU  59           HG2      GLU  59   5.931   7.914   8.023
  236    HG3  GLU  59           HG3      GLU  59   7.509   8.467   8.605
  237    H    GLN  60           HN       GLN  60   5.670   9.825   6.080
  238    HA   GLN  60           HA       GLN  60   8.155   8.950   5.255
  239    HB2  GLN  60           HB2      GLN  60   5.805   8.848   4.141
  240    HB3  GLN  60           HB3      GLN  60   6.244  10.393   3.434
  241    HG2  GLN  60           HG2      GLN  60   8.081   9.416   2.275
  242    HG3  GLN  60           HG3      GLN  60   7.842   7.870   3.104
  243   HE21  GLN  60          HE21      GLN  60   7.808   8.425   0.266
  244   HE22  GLN  60          HE22      GLN  60   6.250   7.950  -0.305
  245    H    GLN  61           HN       GLN  61   6.617  12.080   4.813
  246    HA   GLN  61           HA       GLN  61   8.795  13.488   3.717
  247    HB2  GLN  61           HB2      GLN  61   6.589  14.516   5.517
  248    HB3  GLN  61           HB3      GLN  61   7.600  15.499   4.458
  249    HG2  GLN  61           HG2      GLN  61   5.678  13.367   3.551
  250    HG3  GLN  61           HG3      GLN  61   5.378  15.102   3.511
  251   HE21  GLN  61          HE21      GLN  61   7.193  12.471   2.116
  252   HE22  GLN  61          HE22      GLN  61   7.695  13.313   0.698
  253    H    ARG  62           HN       ARG  62   7.787  12.841   7.033
  254    HA   ARG  62           HA       ARG  62   9.499  14.597   8.393
  255    HB2  ARG  62           HB2      ARG  62   7.478  13.274   9.266
  256    HB3  ARG  62           HB3      ARG  62   8.611  11.937   9.475
  257    HG2  ARG  62           HG2      ARG  62   8.591  12.878  11.564
  258    HG3  ARG  62           HG3      ARG  62   9.999  13.650  10.833
  259    HD2  ARG  62           HD2      ARG  62   7.239  14.829  11.123
  260    HD3  ARG  62           HD3      ARG  62   8.670  15.283  12.041
  261    HE   ARG  62           HE       ARG  62   8.963  15.605   9.195
  262   HH11  ARG  62          HH12      ARG  62   7.975  17.116  12.190
  263   HH12  ARG  62          HH11      ARG  62   8.040  18.729  11.545
  264   HH21  ARG  62          HH22      ARG  62   9.085  17.708   8.349
  265   HH22  ARG  62          HH21      ARG  62   8.661  19.071   9.353
  266    H    LEU  63           HN       LEU  63   9.810  11.112   7.840
  267    HA   LEU  63           HA       LEU  63  12.458  10.994   8.875
  268    HB2  LEU  63           HB2      LEU  63  10.627   9.010   7.587
  269    HB3  LEU  63           HB3      LEU  63  12.274   8.600   8.034
  270    HG   LEU  63           HG       LEU  63  11.742   9.187  10.376
  271   HD11  LEU  63          HD11      LEU  63   8.956   9.526   9.371
  272   HD12  LEU  63          HD12      LEU  63   9.404   9.370  11.069
  273   HD13  LEU  63          HD13      LEU  63   9.984  10.743  10.122
  274   HD21  LEU  63          HD21      LEU  63  10.391   7.210  10.856
  275   HD22  LEU  63          HD22      LEU  63   9.947   7.110   9.153
  276   HD23  LEU  63          HD23      LEU  63  11.625   6.873   9.643
  277    H    GLY  64           HN       GLY  64  11.608  12.455   6.292
  278    HA2  GLY  64           HA1      GLY  64  12.743  13.085   4.393
  279    HA3  GLY  64           HA2      GLY  64  14.157  12.308   5.094
  280    H    ILE  65           HN       ILE  65  11.228  10.560   4.620
  281    HA   ILE  65           HA       ILE  65  12.582   8.784   2.828
  282    HB   ILE  65           HB       ILE  65   9.740   8.651   3.845
  283   HG12  ILE  65          HG12      ILE  65  12.295   7.329   4.761
  284   HG13  ILE  65          HG13      ILE  65  11.207   8.347   5.700
  285   HG21  ILE  65          HG21      ILE  65  11.375   6.586   2.372
  286   HG22  ILE  65          HG22      ILE  65   9.762   6.338   3.041
  287   HG23  ILE  65          HG23      ILE  65  10.003   7.483   1.722
  288   HD11  ILE  65          HD11      ILE  65  10.983   6.017   6.333
  289   HD12  ILE  65          HD12      ILE  65   9.494   6.606   5.593
  290   HD13  ILE  65          HD13      ILE  65  10.596   5.584   4.663
  291    HA   PRO  66           HA       PRO  66  11.360  11.063  -0.843
  292    HB2  PRO  66           HB2      PRO  66  11.452   8.308  -1.965
  293    HB3  PRO  66           HB3      PRO  66  12.218   9.784  -2.553
  294    HG2  PRO  66           HG2      PRO  66  13.592   7.849  -1.278
  295    HG3  PRO  66           HG3      PRO  66  14.018   9.567  -1.147
  296    HD2  PRO  66           HD2      PRO  66  12.781   7.769   0.832
  297    HD3  PRO  66           HD3      PRO  66  13.702   9.263   1.082
  298    H    LYS  67           HN       LYS  67   9.333  11.598  -1.449
  299    HA   LYS  67           HA       LYS  67   7.039  10.253  -0.603
  300    HB2  LYS  67           HB2      LYS  67   5.847  11.717  -2.287
  301    HB3  LYS  67           HB3      LYS  67   6.852  12.554  -1.113
  302    HG2  LYS  67           HG2      LYS  67   8.480  13.071  -2.680
  303    HG3  LYS  67           HG3      LYS  67   7.933  11.826  -3.805
  304    HD2  LYS  67           HD2      LYS  67   7.281  13.950  -4.690
  305    HD3  LYS  67           HD3      LYS  67   5.825  13.140  -4.109
  306    HE2  LYS  67           HE2      LYS  67   5.933  14.463  -2.043
  307    HE3  LYS  67           HE3      LYS  67   7.370  15.284  -2.649
  308    HZ1  LYS  67           HZ1      LYS  67   4.632  15.395  -3.796
  309    HZ2  LYS  67           HZ2      LYS  67   6.001  16.066  -4.543
  310    HZ3  LYS  67           HZ3      LYS  67   5.478  16.654  -3.040
  311    H    ASP  68           HN       ASP  68   8.961   9.723  -3.391
  312    HA   ASP  68           HA       ASP  68   6.897   8.127  -4.751
  313    HB2  ASP  68           HB2      ASP  68   8.495   9.840  -5.895
  314    HB3  ASP  68           HB3      ASP  68   9.734   8.612  -5.680
  315    HA   PRO  69           HA       PRO  69   8.956   4.434  -3.292
  316    HB2  PRO  69           HB2      PRO  69   7.894   2.603  -4.910
  317    HB3  PRO  69           HB3      PRO  69   6.912   3.446  -3.707
  318    HG2  PRO  69           HG2      PRO  69   7.113   3.913  -6.651
  319    HG3  PRO  69           HG3      PRO  69   5.681   3.936  -5.608
  320    HD2  PRO  69           HD2      PRO  69   7.059   6.180  -6.452
  321    HD3  PRO  69           HD3      PRO  69   6.010   6.116  -5.021
  322    H    ARG  70           HN       ARG  70   9.291   5.464  -6.615
  323    HA   ARG  70           HA       ARG  70  10.722   3.213  -7.583
  324    HB2  ARG  70           HB2      ARG  70  10.243   5.975  -8.615
  325    HB3  ARG  70           HB3      ARG  70  11.420   4.948  -9.414
  326    HG2  ARG  70           HG2      ARG  70   9.362   4.770 -10.582
  327    HG3  ARG  70           HG3      ARG  70   9.628   3.253  -9.724
  328    HD2  ARG  70           HD2      ARG  70   7.869   3.579  -8.317
  329    HD3  ARG  70           HD3      ARG  70   8.037   5.344  -8.339
  330    HE   ARG  70           HE       ARG  70   6.733   3.699 -10.410
  331   HH11  ARG  70          HH12      ARG  70   7.300   6.827  -8.903
  332   HH12  ARG  70          HH11      ARG  70   6.133   7.645  -9.900
  333   HH21  ARG  70          HH22      ARG  70   5.207   4.783 -11.698
  334   HH22  ARG  70          HH21      ARG  70   4.954   6.491 -11.480
  335    H    GLN  71           HN       GLN  71  11.861   5.145  -5.298
  336    HA   GLN  71           HA       GLN  71  14.636   4.720  -6.119
  337    HB2  GLN  71           HB2      GLN  71  15.353   6.945  -5.820
  338    HB3  GLN  71           HB3      GLN  71  13.861   7.090  -6.742
  339    HG2  GLN  71           HG2      GLN  71  14.155   7.494  -3.775
  340    HG3  GLN  71           HG3      GLN  71  13.961   8.758  -4.990
  341   HE21  GLN  71          HE21      GLN  71  12.397   6.052  -3.390
  342   HE22  GLN  71          HE22      GLN  71  10.774   6.556  -3.732
  343    H    TRP  72           HN       TRP  72  12.564   3.870  -3.992
  344    HA   TRP  72           HA       TRP  72  13.565   4.845  -1.524
  345    HB2  TRP  72           HB2      TRP  72  11.583   2.846  -2.488
  346    HB3  TRP  72           HB3      TRP  72  12.215   2.589  -0.866
  347    HD1  TRP  72           HD1      TRP  72  12.175   6.142  -0.950
  348    HE1  TRP  72           HE1      TRP  72   9.939   7.107  -0.111
  349    HE3  TRP  72           HE3      TRP  72   9.335   1.930  -1.223
  350    HZ2  TRP  72           HZ2      TRP  72   7.305   6.179   0.374
  351    HZ3  TRP  72           HZ3      TRP  72   6.978   2.041  -0.554
  352    HH2  TRP  72           HH2      TRP  72   5.985   4.116   0.224
  353    H    THR  73           HN       THR  73  14.696   3.599   0.090
  354    HA   THR  73           HA       THR  73  16.416   1.528  -0.907
  355    HB   THR  73           HB       THR  73  17.246   1.473   1.433
  356    HG1  THR  73           HG1      THR  73  16.374   3.082   2.876
  357   HG21  THR  73          HG21      THR  73  18.233   3.690   1.459
  358   HG22  THR  73          HG22      THR  73  16.998   4.284   0.348
  359   HG23  THR  73          HG23      THR  73  18.178   3.088  -0.199
  360    H    GLU  74           HN       GLU  74  16.530  -0.572   0.419
  361    HA   GLU  74           HA       GLU  74  14.076  -1.904   0.358
  362    HB2  GLU  74           HB2      GLU  74  15.258  -3.697   1.642
  363    HB3  GLU  74           HB3      GLU  74  16.105  -3.168   0.196
  364    HG2  GLU  74           HG2      GLU  74  17.547  -1.745   1.618
  365    HG3  GLU  74           HG3      GLU  74  16.744  -2.413   3.038
  366    H    THR  75           HN       THR  75  15.621  -0.032   2.851
  367    HA   THR  75           HA       THR  75  13.989  -0.940   5.012
  368    HB   THR  75           HB       THR  75  15.435   1.706   4.850
  369    HG1  THR  75           HG1      THR  75  16.452  -0.889   5.535
  370   HG21  THR  75          HG21      THR  75  15.622   1.435   7.269
  371   HG22  THR  75          HG22      THR  75  14.785  -0.114   7.173
  372   HG23  THR  75          HG23      THR  75  13.932   1.378   6.771
  373    H    HIS  76           HN       HIS  76  13.809   1.696   2.648
  374    HA   HIS  76           HA       HIS  76  11.763   3.143   4.062
  375    HB2  HIS  76           HB2      HIS  76  12.913   3.394   1.279
  376    HB3  HIS  76           HB3      HIS  76  11.565   4.386   1.825
  377    HD1  HIS  76           HD1      HIS  76  14.515   5.400   1.050
  378    HD2  HIS  76           HD2      HIS  76  12.944   4.920   4.877
  379    HE1  HIS  76           HE1      HIS  76  15.843   6.935   2.520
  380    HE2  HIS  76           HE2      HIS  76  14.976   6.531   4.861
  381    H    VAL  77           HN       VAL  77  11.893   0.952   1.309
  382    HA   VAL  77           HA       VAL  77   9.196   0.971   0.610
  383    HB   VAL  77           HB       VAL  77  11.301  -1.186   0.387
  384   HG11  VAL  77          HG11      VAL  77   8.554  -1.165  -0.853
  385   HG12  VAL  77          HG12      VAL  77   9.817  -2.362  -1.139
  386   HG13  VAL  77          HG13      VAL  77   9.080  -2.219   0.460
  387   HG21  VAL  77          HG21      VAL  77  11.694   0.840  -0.943
  388   HG22  VAL  77          HG22      VAL  77  11.343  -0.548  -1.978
  389   HG23  VAL  77          HG23      VAL  77  10.101   0.671  -1.678
  390    H    ARG  78           HN       ARG  78  11.004  -1.197   2.772
  391    HA   ARG  78           HA       ARG  78   8.812  -2.820   3.465
  392    HB2  ARG  78           HB2      ARG  78  11.510  -2.892   3.845
  393    HB3  ARG  78           HB3      ARG  78  10.934  -2.546   5.471
  394    HG2  ARG  78           HG2      ARG  78   9.810  -4.567   5.639
  395    HG3  ARG  78           HG3      ARG  78   9.699  -4.769   3.887
  396    HD2  ARG  78           HD2      ARG  78  12.297  -4.842   5.397
  397    HD3  ARG  78           HD3      ARG  78  11.323  -6.278   5.077
  398    HE   ARG  78           HE       ARG  78  11.572  -5.343   2.623
  399   HH11  ARG  78          HH12      ARG  78  14.024  -5.576   5.127
  400   HH12  ARG  78          HH11      ARG  78  15.320  -5.804   3.988
  401   HH21  ARG  78          HH22      ARG  78  13.276  -5.633   1.156
  402   HH22  ARG  78          HH21      ARG  78  14.900  -5.859   1.734
  403    H    ASP  79           HN       ASP  79  10.024   0.165   4.800
  404    HA   ASP  79           HA       ASP  79   8.635   0.289   7.228
  405    HB2  ASP  79           HB2      ASP  79   9.735   2.272   5.292
  406    HB3  ASP  79           HB3      ASP  79   8.632   2.866   6.530
  407    H    TRP  80           HN       TRP  80   7.779   1.362   3.973
  408    HA   TRP  80           HA       TRP  80   5.205   2.348   4.715
  409    HB2  TRP  80           HB2      TRP  80   6.063   3.441   2.872
  410    HB3  TRP  80           HB3      TRP  80   6.848   1.993   2.252
  411    HD1  TRP  80           HD1      TRP  80   3.536   3.888   2.124
  412    HE1  TRP  80           HE1      TRP  80   2.186   2.921   0.155
  413    HE3  TRP  80           HE3      TRP  80   6.470  -0.137   0.982
  414    HZ2  TRP  80           HZ2      TRP  80   2.340   0.756  -1.650
  415    HZ3  TRP  80           HZ3      TRP  80   5.800  -1.611  -0.865
  416    HH2  TRP  80           HH2      TRP  80   3.772  -1.176  -2.144
  417    H    VAL  81           HN       VAL  81   6.605  -0.606   3.654
  418    HA   VAL  81           HA       VAL  81   4.366  -1.967   2.635
  419    HB   VAL  81           HB       VAL  81   6.991  -2.814   3.820
  420   HG11  VAL  81          HG11      VAL  81   6.483  -5.155   3.349
  421   HG12  VAL  81          HG12      VAL  81   5.446  -4.505   4.618
  422   HG13  VAL  81          HG13      VAL  81   4.813  -4.719   2.986
  423   HG21  VAL  81          HG21      VAL  81   5.726  -3.197   1.113
  424   HG22  VAL  81          HG22      VAL  81   6.982  -2.029   1.530
  425   HG23  VAL  81          HG23      VAL  81   7.331  -3.758   1.579
  426    H    MET  82           HN       MET  82   5.924  -2.230   5.805
  427    HA   MET  82           HA       MET  82   3.706  -3.589   6.938
  428    HB2  MET  82           HB2      MET  82   4.798  -3.158   9.129
  429    HB3  MET  82           HB3      MET  82   5.793  -3.986   7.946
  430    HG2  MET  82           HG2      MET  82   7.185  -2.186   7.640
  431    HG3  MET  82           HG3      MET  82   5.980  -1.027   8.202
  432    HE1  MET  82           HE1      MET  82   6.353  -4.275  10.201
  433    HE2  MET  82           HE2      MET  82   7.977  -4.209   9.510
  434    HE3  MET  82           HE3      MET  82   7.747  -3.984  11.245
  435    H    TRP  83           HN       TRP  83   4.115  -0.209   6.322
  436    HA   TRP  83           HA       TRP  83   2.634   0.630   8.615
  437    HB2  TRP  83           HB2      TRP  83   3.916   2.304   7.397
  438    HB3  TRP  83           HB3      TRP  83   2.979   2.019   5.933
  439    HD1  TRP  83           HD1      TRP  83   2.662   3.608   9.409
  440    HE1  TRP  83           HE1      TRP  83   0.694   5.274   9.360
  441    HE3  TRP  83           HE3      TRP  83   0.829   2.535   4.777
  442    HZ2  TRP  83           HZ2      TRP  83  -1.373   6.018   7.576
  443    HZ3  TRP  83           HZ3      TRP  83  -1.146   3.753   3.972
  444    HH2  TRP  83           HH2      TRP  83  -2.222   5.454   5.342
  445    H    ALA  84           HN       ALA  84   1.486   0.294   5.216
  446    HA   ALA  84           HA       ALA  84  -1.221   0.650   5.974
  447    HB1  ALA  84           HB1      ALA  84  -0.240  -0.894   3.564
  448    HB2  ALA  84           HB2      ALA  84  -1.850  -0.202   3.804
  449    HB3  ALA  84           HB3      ALA  84  -0.447   0.858   3.620
  450    H    VAL  85           HN       VAL  85   0.867  -2.119   5.665
  451    HA   VAL  85           HA       VAL  85  -0.888  -4.170   6.290
  452    HB   VAL  85           HB       VAL  85   2.061  -3.778   6.569
  453   HG11  VAL  85          HG11      VAL  85   2.351  -6.052   7.413
  454   HG12  VAL  85          HG12      VAL  85   1.484  -5.050   8.576
  455   HG13  VAL  85          HG13      VAL  85   0.606  -6.217   7.589
  456   HG21  VAL  85          HG21      VAL  85   2.113  -5.663   5.013
  457   HG22  VAL  85          HG22      VAL  85   0.354  -5.764   5.087
  458   HG23  VAL  85          HG23      VAL  85   1.127  -4.332   4.406
  459    H    ASN  86           HN       ASN  86   1.130  -2.275   8.624
  460    HA   ASN  86           HA       ASN  86   0.187  -3.898  10.732
  461    HB2  ASN  86           HB2      ASN  86   1.625  -2.838  12.177
  462    HB3  ASN  86           HB3      ASN  86   2.429  -2.696  10.626
  463   HD21  ASN  86          HD21      ASN  86   0.838  -0.574   9.620
  464   HD22  ASN  86          HD22      ASN  86   1.259   0.851  10.520
  465    H    GLU  87           HN       GLU  87  -1.083  -1.000   9.369
  466    HA   GLU  87           HA       GLU  87  -2.618  -0.326  11.727
  467    HB2  GLU  87           HB2      GLU  87  -2.030   1.407  10.021
  468    HB3  GLU  87           HB3      GLU  87  -3.056   0.558   8.861
  469    HG2  GLU  87           HG2      GLU  87  -4.986   0.910  10.305
  470    HG3  GLU  87           HG3      GLU  87  -3.968   1.746  11.473
  471    H    PHE  88           HN       PHE  88  -2.994  -1.922   8.673
  472    HA   PHE  88           HA       PHE  88  -5.765  -2.534   8.958
  473    HB2  PHE  88           HB2      PHE  88  -3.553  -3.181   7.046
  474    HB3  PHE  88           HB3      PHE  88  -5.084  -4.067   6.950
  475    HD1  PHE  88           HD2      PHE  88  -4.347  -0.489   7.687
  476    HD2  PHE  88           HD1      PHE  88  -6.229  -3.297   5.116
  477    HE1  PHE  88           HE2      PHE  88  -5.369   1.354   6.429
  478    HE2  PHE  88           HE1      PHE  88  -7.257  -1.457   3.850
  479    HZ   PHE  88           HZ       PHE  88  -6.829   0.871   4.513
  480    H    SER  89           HN       SER  89  -3.234  -3.670  10.584
  481    HA   SER  89           HA       SER  89  -2.630  -5.533  11.688
  482    HB2  SER  89           HB2      SER  89  -4.464  -6.876  12.678
  483    HB3  SER  89           HB3      SER  89  -4.721  -5.145  12.865
  484    HG   SER  89           HG       SER  89  -5.857  -5.919  10.577
  485    H    LEU  90           HN       LEU  90  -2.293  -5.694   8.919
  486    HA   LEU  90           HA       LEU  90  -3.263  -8.206   7.941
  487    HB2  LEU  90           HB2      LEU  90  -0.856  -6.637   6.946
  488    HB3  LEU  90           HB3      LEU  90  -1.839  -7.773   6.022
  489    HG   LEU  90           HG       LEU  90  -2.711  -5.045   7.042
  490   HD11  LEU  90          HD11      LEU  90  -2.874  -4.466   4.691
  491   HD12  LEU  90          HD12      LEU  90  -1.231  -4.959   5.107
  492   HD13  LEU  90          HD13      LEU  90  -2.292  -6.069   4.237
  493   HD21  LEU  90          HD21      LEU  90  -4.247  -7.133   5.475
  494   HD22  LEU  90          HD22      LEU  90  -4.561  -6.637   7.139
  495   HD23  LEU  90          HD23      LEU  90  -4.801  -5.494   5.816
  496    H    LYS  91           HN       LYS  91  -0.201  -6.941   9.105
  497    HA   LYS  91           HA       LYS  91   1.601  -7.920  10.104
  498    HB2  LYS  91           HB2      LYS  91  -0.828  -8.674  11.674
  499    HB3  LYS  91           HB3      LYS  91   0.791  -9.053  12.255
  500    HG2  LYS  91           HG2      LYS  91   1.393  -6.781  12.371
  501    HG3  LYS  91           HG3      LYS  91  -0.018  -6.283  11.439
  502    HD2  LYS  91           HD2      LYS  91  -0.149  -5.838  13.912
  503    HD3  LYS  91           HD3      LYS  91  -1.489  -6.766  13.243
  504    HE2  LYS  91           HE2      LYS  91  -0.703  -7.663  15.391
  505    HE3  LYS  91           HE3      LYS  91  -0.535  -8.819  14.073
  506    HZ1  LYS  91           HZ1      LYS  91   1.811  -8.343  13.956
  507    HZ2  LYS  91           HZ2      LYS  91   1.404  -8.769  15.542
  508    HZ3  LYS  91           HZ3      LYS  91   1.673  -7.143  15.146
  509    H    GLY  92           HN       GLY  92   0.737  -9.689   7.909
  510    HA2  GLY  92           HA1      GLY  92   2.308 -11.934   8.898
  511    HA3  GLY  92           HA2      GLY  92   0.772 -12.263   8.092
  512    H    VAL  93           HN       VAL  93   3.052  -9.705   7.446
  513    HA   VAL  93           HA       VAL  93   3.022 -10.380   4.639
  514    HB   VAL  93           HB       VAL  93   3.247  -7.957   6.148
  515   HG11  VAL  93          HG11      VAL  93   5.498  -8.366   4.188
  516   HG12  VAL  93          HG12      VAL  93   5.059  -6.845   4.965
  517   HG13  VAL  93          HG13      VAL  93   5.671  -8.185   5.935
  518   HG21  VAL  93          HG21      VAL  93   2.758  -6.958   4.012
  519   HG22  VAL  93          HG22      VAL  93   3.250  -8.434   3.178
  520   HG23  VAL  93          HG23      VAL  93   1.810  -8.435   4.200
  521    H    ASP  94           HN       ASP  94   4.698 -11.215   3.559
  522    HA   ASP  94           HA       ASP  94   6.861 -12.337   5.079
  523    HB2  ASP  94           HB2      ASP  94   5.508 -13.082   2.821
  524    HB3  ASP  94           HB3      ASP  94   6.965 -12.389   2.123
  525    H    PHE  95           HN       PHE  95   8.141 -10.638   5.829
  526    HA   PHE  95           HA       PHE  95   8.430  -8.186   4.525
  527    HB2  PHE  95           HB2      PHE  95  10.098  -9.512   6.655
  528    HB3  PHE  95           HB3      PHE  95  10.312  -7.838   6.149
  529    HD1  PHE  95           HD1      PHE  95   8.274  -6.292   6.336
  530    HD2  PHE  95           HD2      PHE  95   8.565 -10.044   8.318
  531    HE1  PHE  95           HE1      PHE  95   6.538  -5.580   7.925
  532    HE2  PHE  95           HE2      PHE  95   6.826  -9.339   9.912
  533    HZ   PHE  95           HZ       PHE  95   5.810  -7.106   9.718
  534    H    GLN  96           HN       GLN  96  10.391 -11.066   4.447
  535    HA   GLN  96           HA       GLN  96  12.449  -9.753   2.940
  536    HB2  GLN  96           HB2      GLN  96  13.309 -12.196   2.801
  537    HB3  GLN  96           HB3      GLN  96  13.469 -11.240   4.260
  538    HG2  GLN  96           HG2      GLN  96  12.731 -13.732   4.369
  539    HG3  GLN  96           HG3      GLN  96  12.030 -12.532   5.447
  540   HE21  GLN  96          HE21      GLN  96  11.508 -14.262   2.438
  541   HE22  GLN  96          HE22      GLN  96   9.774 -14.226   2.512
  542    H    LYS  97           HN       LYS  97   9.574 -11.522   2.250
  543    HA   LYS  97           HA       LYS  97  10.338 -12.016  -0.485
  544    HB2  LYS  97           HB2      LYS  97   8.344 -13.081   0.935
  545    HB3  LYS  97           HB3      LYS  97   7.466 -11.681   0.325
  546    HG2  LYS  97           HG2      LYS  97   8.907 -13.585  -1.500
  547    HG3  LYS  97           HG3      LYS  97   7.243 -13.842  -0.979
  548    HD2  LYS  97           HD2      LYS  97   6.620 -11.664  -1.928
  549    HD3  LYS  97           HD3      LYS  97   8.285 -11.429  -2.458
  550    HE2  LYS  97           HE2      LYS  97   6.561 -13.742  -3.326
  551    HE3  LYS  97           HE3      LYS  97   6.713 -12.238  -4.232
  552    HZ1  LYS  97           HZ1      LYS  97   8.935 -14.100  -3.572
  553    HZ2  LYS  97           HZ2      LYS  97   9.090 -12.644  -4.428
  554    HZ3  LYS  97           HZ3      LYS  97   8.201 -13.925  -5.088
  555    H    PHE  98           HN       PHE  98   9.132  -9.561   1.525
  556    HA   PHE  98           HA       PHE  98   8.409  -7.701  -0.557
  557    HB2  PHE  98           HB2      PHE  98   8.410  -7.744   2.417
  558    HB3  PHE  98           HB3      PHE  98   8.544  -6.171   1.635
  559    HD1  PHE  98           HD2      PHE  98   6.398  -9.102   2.163
  560    HD2  PHE  98           HD1      PHE  98   6.730  -5.232   0.432
  561    HE1  PHE  98           HE2      PHE  98   3.972  -9.045   1.822
  562    HE2  PHE  98           HE1      PHE  98   4.294  -5.166   0.097
  563    HZ   PHE  98           HZ       PHE  98   2.917  -7.074   0.799
  564    H    CYS  99           HN       CYS  99  11.108  -8.947  -0.349
  565    HA   CYS  99           HA       CYS  99  12.957  -6.921   0.426
  566    HB2  CYS  99           HB2      CYS  99  13.513  -9.339   0.303
  567    HB3  CYS  99           HB3      CYS  99  13.335  -9.262  -1.447
  568    HG   CYS  99           HG       CYS  99  15.828  -8.849  -1.812
  569    H    MET 100           HN       MET 100  11.861  -5.140  -0.735
  570    HA   MET 100           HA       MET 100  12.986  -4.985  -3.439
  571    HB2  MET 100           HB2      MET 100  10.445  -3.771  -2.369
  572    HB3  MET 100           HB3      MET 100  11.217  -3.194  -3.839
  573    HG2  MET 100           HG2      MET 100   9.624  -4.626  -4.644
  574    HG3  MET 100           HG3      MET 100  11.065  -5.650  -4.598
  575    HE1  MET 100           HE1      MET 100   8.876  -4.490  -1.518
  576    HE2  MET 100           HE2      MET 100   7.711  -4.718  -2.823
  577    HE3  MET 100           HE3      MET 100   7.708  -5.811  -1.439
  578    H    SER 101           HN       SER 101  14.516  -3.545  -3.671
  579    HA   SER 101           HA       SER 101  14.698  -1.175  -2.058
  580    HB2  SER 101           HB2      SER 101  16.674  -2.054  -3.308
  581    HB3  SER 101           HB3      SER 101  15.822  -1.772  -4.825
  582    HG   SER 101           HG       SER 101  17.341  -0.092  -4.139
  583    H    GLY 102           HN       GLY 102  14.023   0.991  -2.997
  584    HA2  GLY 102           HA1      GLY 102  11.363   0.928  -3.675
  585    HA3  GLY 102           HA2      GLY 102  12.413   2.301  -3.949
  586    H    ALA 103           HN       ALA 103  14.108   1.193  -5.944
  587    HA   ALA 103           HA       ALA 103  12.597   1.527  -8.278
  588    HB1  ALA 103           HB1      ALA 103  15.029   1.813  -8.189
  589    HB2  ALA 103           HB2      ALA 103  15.221   0.078  -7.938
  590    HB3  ALA 103           HB3      ALA 103  14.557   0.682  -9.458
  591    H    ALA 104           HN       ALA 104  13.561  -1.314  -6.481
  592    HA   ALA 104           HA       ALA 104  12.459  -3.238  -8.259
  593    HB1  ALA 104           HB1      ALA 104  13.126  -3.466  -5.324
  594    HB2  ALA 104           HB2      ALA 104  12.781  -4.813  -6.414
  595    HB3  ALA 104           HB3      ALA 104  14.217  -3.820  -6.667
  596    H    LEU 105           HN       LEU 105  11.286  -1.690  -5.216
  597    HA   LEU 105           HA       LEU 105   8.889  -2.790  -4.872
  598    HB2  LEU 105           HB2      LEU 105   9.813  -0.924  -3.541
  599    HB3  LEU 105           HB3      LEU 105   9.442   0.193  -4.851
  600    HG   LEU 105           HG       LEU 105   7.060  -0.356  -4.622
  601   HD11  LEU 105          HD11      LEU 105   6.350  -1.560  -2.545
  602   HD12  LEU 105          HD12      LEU 105   7.124  -2.575  -3.771
  603   HD13  LEU 105          HD13      LEU 105   8.032  -2.062  -2.345
  604   HD21  LEU 105          HD21      LEU 105   8.356   0.535  -2.062
  605   HD22  LEU 105          HD22      LEU 105   7.952   1.557  -3.444
  606   HD23  LEU 105          HD23      LEU 105   6.668   0.784  -2.515
  607    H    CYS 106           HN       CYS 106   9.500  -0.156  -7.068
  608    HA   CYS 106           HA       CYS 106   7.020  -0.181  -8.343
  609    HB2  CYS 106           HB2      CYS 106   8.546   1.689  -8.479
  610    HB3  CYS 106           HB3      CYS 106   9.725   0.696  -9.330
  611    HG   CYS 106           HG       CYS 106   8.281   0.476 -11.667
  612    H    ALA 107           HN       ALA 107  10.129  -1.584  -9.402
  613    HA   ALA 107           HA       ALA 107   9.426  -2.530 -11.842
  614    HB1  ALA 107           HB1      ALA 107  11.322  -3.852  -9.919
  615    HB2  ALA 107           HB2      ALA 107  11.314  -4.025 -11.676
  616    HB3  ALA 107           HB3      ALA 107  11.695  -2.464 -10.945
  617    H    LEU 108           HN       LEU 108   8.601  -4.088  -8.770
  618    HA   LEU 108           HA       LEU 108   8.146  -6.633  -9.801
  619    HB2  LEU 108           HB2      LEU 108   6.450  -6.835  -7.866
  620    HB3  LEU 108           HB3      LEU 108   8.149  -6.642  -7.509
  621    HG   LEU 108           HG       LEU 108   7.688  -4.191  -7.101
  622   HD11  LEU 108          HD11      LEU 108   5.607  -3.860  -8.240
  623   HD12  LEU 108          HD12      LEU 108   4.824  -5.122  -7.284
  624   HD13  LEU 108          HD13      LEU 108   5.339  -3.616  -6.514
  625   HD21  LEU 108          HD21      LEU 108   8.011  -5.780  -5.317
  626   HD22  LEU 108          HD22      LEU 108   6.765  -4.611  -4.878
  627   HD23  LEU 108          HD23      LEU 108   6.310  -6.237  -5.386
  628    H    GLY 109           HN       GLY 109   6.007  -3.824  -9.818
  629    HA2  GLY 109           HA1      GLY 109   4.096  -3.474 -11.078
  630    HA3  GLY 109           HA2      GLY 109   4.331  -5.061 -11.805
  631    H    LYS 110           HN       LYS 110   1.831  -4.024 -10.968
  632    HA   LYS 110           HA       LYS 110   0.898  -4.698  -8.504
  633    HB2  LYS 110           HB2      LYS 110  -1.016  -4.065  -9.458
  634    HB3  LYS 110           HB3      LYS 110  -0.257  -4.155 -11.036
  635    HG2  LYS 110           HG2      LYS 110  -2.178  -5.462 -11.224
  636    HG3  LYS 110           HG3      LYS 110  -0.875  -6.626 -11.008
  637    HD2  LYS 110           HD2      LYS 110  -1.541  -6.346  -8.467
  638    HD3  LYS 110           HD3      LYS 110  -3.089  -5.887  -9.178
  639    HE2  LYS 110           HE2      LYS 110  -1.574  -8.471  -9.643
  640    HE3  LYS 110           HE3      LYS 110  -3.046  -8.280  -8.697
  641    HZ1  LYS 110           HZ1      LYS 110  -2.735  -7.978 -11.634
  642    HZ2  LYS 110           HZ2      LYS 110  -4.115  -7.451 -10.804
  643    HZ3  LYS 110           HZ3      LYS 110  -3.703  -9.095 -10.799
  644    H    GLU 111           HN       GLU 111   1.061  -7.005 -11.259
  645    HA   GLU 111           HA       GLU 111  -0.055  -9.183 -10.027
  646    HB2  GLU 111           HB2      GLU 111   0.526  -9.152 -12.396
  647    HB3  GLU 111           HB3      GLU 111   2.237  -9.171 -11.997
  648    HG2  GLU 111           HG2      GLU 111   2.014 -11.391 -11.036
  649    HG3  GLU 111           HG3      GLU 111   0.283 -11.372 -11.367
  650    H    CYS 112           HN       CYS 112   3.428  -8.571 -10.196
  651    HA   CYS 112           HA       CYS 112   4.189 -10.697  -8.574
  652    HB2  CYS 112           HB2      CYS 112   5.719  -9.398 -10.062
  653    HB3  CYS 112           HB3      CYS 112   5.688  -8.095  -8.877
  654    HG   CYS 112           HG       CYS 112   6.623 -11.196  -7.880
  655    H    PHE 113           HN       PHE 113   3.698  -7.260  -7.667
  656    HA   PHE 113           HA       PHE 113   4.301  -7.492  -4.998
  657    HB2  PHE 113           HB2      PHE 113   3.601  -5.398  -6.375
  658    HB3  PHE 113           HB3      PHE 113   1.969  -5.795  -5.848
  659    HD1  PHE 113           HD2      PHE 113   1.701  -6.225  -3.237
  660    HD2  PHE 113           HD1      PHE 113   4.889  -4.057  -5.069
  661    HE1  PHE 113           HE2      PHE 113   2.108  -5.016  -1.147
  662    HE2  PHE 113           HE1      PHE 113   5.283  -2.856  -2.977
  663    HZ   PHE 113           HZ       PHE 113   3.982  -3.621  -0.883
  664    H    LEU 114           HN       LEU 114   1.223  -8.309  -6.570
  665    HA   LEU 114           HA       LEU 114  -0.018  -8.778  -4.017
  666    HB2  LEU 114           HB2      LEU 114  -1.162  -9.771  -6.586
  667    HB3  LEU 114           HB3      LEU 114  -1.988  -9.330  -5.104
  668    HG   LEU 114           HG       LEU 114  -1.077  -7.641  -7.345
  669   HD11  LEU 114          HD11      LEU 114  -3.130  -6.454  -6.799
  670   HD12  LEU 114          HD12      LEU 114  -3.412  -8.183  -7.012
  671   HD13  LEU 114          HD13      LEU 114  -3.355  -7.492  -5.390
  672   HD21  LEU 114          HD21      LEU 114  -0.944  -5.628  -6.072
  673   HD22  LEU 114          HD22      LEU 114  -1.230  -6.509  -4.569
  674   HD23  LEU 114          HD23      LEU 114   0.262  -6.768  -5.471
  675    H    GLU 115           HN       GLU 115   1.692 -10.689  -6.359
  676    HA   GLU 115           HA       GLU 115   1.189 -13.233  -5.285
  677    HB2  GLU 115           HB2      GLU 115   3.916 -12.187  -6.067
  678    HB3  GLU 115           HB3      GLU 115   3.403 -13.868  -6.043
  679    HG2  GLU 115           HG2      GLU 115   1.889 -13.428  -7.927
  680    HG3  GLU 115           HG3      GLU 115   2.455 -11.755  -7.962
  681    H    LEU 116           HN       LEU 116   2.912 -10.475  -4.332
  682    HA   LEU 116           HA       LEU 116   4.960 -11.785  -2.850
  683    HB2  LEU 116           HB2      LEU 116   5.635 -10.085  -4.212
  684    HB3  LEU 116           HB3      LEU 116   4.238  -9.092  -3.858
  685    HG   LEU 116           HG       LEU 116   6.006  -9.479  -1.603
  686   HD11  LEU 116          HD11      LEU 116   6.967  -8.030  -4.059
  687   HD12  LEU 116          HD12      LEU 116   7.729  -7.946  -2.472
  688   HD13  LEU 116          HD13      LEU 116   7.694  -9.473  -3.354
  689   HD21  LEU 116          HD21      LEU 116   4.868  -7.089  -3.015
  690   HD22  LEU 116          HD22      LEU 116   4.144  -7.924  -1.640
  691   HD23  LEU 116          HD23      LEU 116   5.673  -7.066  -1.446
  692    H    ALA 117           HN       ALA 117   2.040 -10.004  -2.067
  693    HA   ALA 117           HA       ALA 117   2.451 -10.876   0.739
  694    HB1  ALA 117           HB1      ALA 117   0.873  -9.105   1.466
  695    HB2  ALA 117           HB2      ALA 117   2.294  -8.422   0.668
  696    HB3  ALA 117           HB3      ALA 117   0.768  -8.533  -0.206
  697    HA   PRO 118           HA       PRO 118  -1.686 -12.948   0.321
  698    HB2  PRO 118           HB2      PRO 118  -2.824 -10.657   1.864
  699    HB3  PRO 118           HB3      PRO 118  -3.132 -12.388   2.046
  700    HG2  PRO 118           HG2      PRO 118  -1.551 -11.069   3.760
  701    HG3  PRO 118           HG3      PRO 118  -1.205 -12.739   3.279
  702    HD2  PRO 118           HD2      PRO 118   0.167 -10.227   2.510
  703    HD3  PRO 118           HD3      PRO 118   0.801 -11.883   2.591
  704    H    ASP 119           HN       ASP 119  -3.051 -12.668  -1.392
  705    HA   ASP 119           HA       ASP 119  -2.390 -10.810  -3.284
  706    HB2  ASP 119           HB2      ASP 119  -4.252 -11.572  -4.601
  707    HB3  ASP 119           HB3      ASP 119  -3.521 -12.936  -3.766
  708    H    PHE 120           HN       PHE 120  -4.580 -10.189  -0.654
  709    HA   PHE 120           HA       PHE 120  -5.709  -7.965  -2.145
  710    HB2  PHE 120           HB2      PHE 120  -6.985  -9.651  -0.366
  711    HB3  PHE 120           HB3      PHE 120  -6.722  -8.162   0.553
  712    HD1  PHE 120           HD1      PHE 120  -8.385  -9.665  -2.333
  713    HD2  PHE 120           HD2      PHE 120  -7.726  -6.068  -0.146
  714    HE1  PHE 120           HE1      PHE 120 -10.214  -8.581  -3.569
  715    HE2  PHE 120           HE2      PHE 120  -9.561  -4.987  -1.372
  716    HZ   PHE 120           HZ       PHE 120 -10.807  -6.238  -3.085
  717    H    VAL 121           HN       VAL 121  -3.597  -8.835   0.332
  718    HA   VAL 121           HA       VAL 121  -3.246  -6.249   1.477
  719    HB   VAL 121           HB       VAL 121  -1.635  -8.792   1.602
  720   HG11  VAL 121          HG11      VAL 121  -0.477  -7.796   3.517
  721   HG12  VAL 121          HG12      VAL 121  -0.172  -6.894   2.031
  722   HG13  VAL 121          HG13      VAL 121  -1.311  -6.269   3.223
  723   HG21  VAL 121          HG21      VAL 121  -3.947  -8.762   2.480
  724   HG22  VAL 121          HG22      VAL 121  -2.706  -9.111   3.704
  725   HG23  VAL 121          HG23      VAL 121  -3.443  -7.506   3.619
  726    H    GLY 122           HN       GLY 122  -1.617  -8.247  -0.944
  727    HA2  GLY 122           HA1      GLY 122   0.463  -6.534  -1.616
  728    HA3  GLY 122           HA2      GLY 122  -0.380  -7.599  -2.739
  729    H    ASP 123           HN       ASP 123  -2.955  -6.504  -2.623
  730    HA   ASP 123           HA       ASP 123  -2.599  -4.283  -4.392
  731    HB2  ASP 123           HB2      ASP 123  -4.310  -6.028  -4.780
  732    HB3  ASP 123           HB3      ASP 123  -5.153  -5.511  -3.325
  733    H    ILE 124           HN       ILE 124  -3.886  -4.754  -1.122
  734    HA   ILE 124           HA       ILE 124  -4.586  -2.158  -0.512
  735    HB   ILE 124           HB       ILE 124  -3.454  -4.403   1.124
  736   HG12  ILE 124          HG12      ILE 124  -6.047  -2.845   1.121
  737   HG13  ILE 124          HG13      ILE 124  -5.794  -4.495   0.552
  738   HG21  ILE 124          HG21      ILE 124  -3.823  -2.997   3.182
  739   HG22  ILE 124          HG22      ILE 124  -2.416  -2.534   2.209
  740   HG23  ILE 124          HG23      ILE 124  -3.904  -1.588   2.125
  741   HD11  ILE 124          HD11      ILE 124  -5.378  -5.257   2.792
  742   HD12  ILE 124          HD12      ILE 124  -5.437  -3.601   3.399
  743   HD13  ILE 124          HD13      ILE 124  -6.896  -4.360   2.761
  744    H    LEU 125           HN       LEU 125  -1.384  -3.587   0.162
  745    HA   LEU 125           HA       LEU 125  -0.038  -1.189   0.507
  746    HB2  LEU 125           HB2      LEU 125   0.685  -3.976  -0.136
  747    HB3  LEU 125           HB3      LEU 125   1.903  -2.752  -0.466
  748    HG   LEU 125           HG       LEU 125   0.541  -3.061   2.199
  749   HD11  LEU 125          HD11      LEU 125   3.225  -4.108   1.305
  750   HD12  LEU 125          HD12      LEU 125   2.596  -4.146   2.952
  751   HD13  LEU 125          HD13      LEU 125   1.807  -5.087   1.685
  752   HD21  LEU 125          HD21      LEU 125   2.989  -1.560   1.278
  753   HD22  LEU 125          HD22      LEU 125   1.443  -0.857   1.758
  754   HD23  LEU 125          HD23      LEU 125   2.440  -1.689   2.951
  755    H    TRP 126           HN       TRP 126  -0.663  -3.018  -2.456
  756    HA   TRP 126           HA       TRP 126   0.919  -1.454  -4.164
  757    HB2  TRP 126           HB2      TRP 126   0.082  -3.576  -4.957
  758    HB3  TRP 126           HB3      TRP 126  -1.586  -3.033  -4.783
  759    HD1  TRP 126           HD1      TRP 126  -2.668  -2.033  -6.862
  760    HE1  TRP 126           HE1      TRP 126  -1.813  -1.083  -9.118
  761    HE3  TRP 126           HE3      TRP 126   2.358  -2.438  -6.070
  762    HZ2  TRP 126           HZ2      TRP 126   0.672  -0.622 -10.384
  763    HZ3  TRP 126           HZ3      TRP 126   3.905  -1.745  -7.853
  764    HH2  TRP 126           HH2      TRP 126   3.075  -0.860  -9.968
  765    H    GLU 127           HN       GLU 127  -2.435  -1.027  -3.076
  766    HA   GLU 127           HA       GLU 127  -3.046   1.207  -4.626
  767    HB2  GLU 127           HB2      GLU 127  -4.036   0.123  -2.072
  768    HB3  GLU 127           HB3      GLU 127  -4.238   1.862  -2.262
  769    HG2  GLU 127           HG2      GLU 127  -5.126  -0.129  -4.318
  770    HG3  GLU 127           HG3      GLU 127  -6.162   0.441  -3.006
  771    H    HIS 128           HN       HIS 128  -1.722   1.185  -1.283
  772    HA   HIS 128           HA       HIS 128  -1.180   3.952  -1.361
  773    HB2  HIS 128           HB2      HIS 128  -1.113   2.447   0.722
  774    HB3  HIS 128           HB3      HIS 128   0.533   2.052   0.227
  775    HD1  HIS 128           HD1      HIS 128   0.775   3.342   2.747
  776    HD2  HIS 128           HD2      HIS 128   0.067   5.654  -0.645
  777    HE1  HIS 128           HE1      HIS 128   1.422   5.689   3.380
  778    HE2  HIS 128           HE2      HIS 128   1.148   7.039   1.273
  779    H    LEU 129           HN       LEU 129   0.720   1.195  -2.499
  780    HA   LEU 129           HA       LEU 129   3.073   2.532  -3.079
  781    HB2  LEU 129           HB2      LEU 129   2.691   0.092  -3.337
  782    HB3  LEU 129           HB3      LEU 129   1.684   0.416  -4.733
  783    HG   LEU 129           HG       LEU 129   3.487   0.889  -6.098
  784   HD11  LEU 129          HD11      LEU 129   4.357   2.674  -4.633
  785   HD12  LEU 129          HD12      LEU 129   5.133   1.443  -3.635
  786   HD13  LEU 129          HD13      LEU 129   5.640   1.667  -5.309
  787   HD21  LEU 129          HD21      LEU 129   3.618  -1.439  -5.286
  788   HD22  LEU 129          HD22      LEU 129   5.199  -0.775  -5.701
  789   HD23  LEU 129          HD23      LEU 129   4.713  -0.904  -4.009
  790    H    GLU 130           HN       GLU 130   0.135   2.131  -4.997
  791    HA   GLU 130           HA       GLU 130   1.073   3.783  -7.055
  792    HB2  GLU 130           HB2      GLU 130  -0.765   1.985  -7.198
  793    HB3  GLU 130           HB3      GLU 130  -1.849   3.203  -6.540
  794    HG2  GLU 130           HG2      GLU 130  -1.293   4.672  -8.461
  795    HG3  GLU 130           HG3      GLU 130  -0.306   3.371  -9.122
  796    H    ILE 131           HN       ILE 131  -0.782   4.358  -4.184
  797    HA   ILE 131           HA       ILE 131  -1.500   7.014  -4.702
  798    HB   ILE 131           HB       ILE 131  -1.267   5.344  -2.264
  799   HG12  ILE 131          HG12      ILE 131  -3.612   5.925  -1.995
  800   HG13  ILE 131          HG13      ILE 131  -3.502   7.129  -3.275
  801   HG21  ILE 131          HG21      ILE 131  -0.305   7.368  -1.431
  802   HG22  ILE 131          HG22      ILE 131  -1.530   8.349  -2.243
  803   HG23  ILE 131          HG23      ILE 131  -1.987   7.312  -0.886
  804   HD11  ILE 131          HD11      ILE 131  -3.024   5.237  -4.861
  805   HD12  ILE 131          HD12      ILE 131  -3.425   4.130  -3.542
  806   HD13  ILE 131          HD13      ILE 131  -4.641   5.251  -4.159
  807    H    LEU 132           HN       LEU 132   1.442   5.684  -3.131
  808    HA   LEU 132           HA       LEU 132   2.589   8.111  -2.378
  809    HB2  LEU 132           HB2      LEU 132   4.185   5.829  -3.502
  810    HB3  LEU 132           HB3      LEU 132   4.723   7.052  -2.369
  811    HG   LEU 132           HG       LEU 132   2.472   5.408  -1.434
  812   HD11  LEU 132          HD11      LEU 132   3.743   3.788  -2.732
  813   HD12  LEU 132          HD12      LEU 132   5.226   4.262  -1.903
  814   HD13  LEU 132          HD13      LEU 132   3.924   3.482  -1.004
  815   HD21  LEU 132          HD21      LEU 132   3.631   6.999   0.035
  816   HD22  LEU 132          HD22      LEU 132   3.854   5.346   0.609
  817   HD23  LEU 132          HD23      LEU 132   5.159   6.167  -0.246
  818    H    GLN 133           HN       GLN 133   2.620   6.404  -5.406
  819    HA   GLN 133           HA       GLN 133   4.383   8.348  -6.631
  820    HB2  GLN 133           HB2      GLN 133   4.243   6.965  -8.633
  821    HB3  GLN 133           HB3      GLN 133   4.642   5.988  -7.229
  822    HG2  GLN 133           HG2      GLN 133   2.093   5.549  -7.136
  823    HG3  GLN 133           HG3      GLN 133   2.119   6.090  -8.813
  824   HE21  GLN 133          HE21      GLN 133   3.206   3.700  -6.552
  825   HE22  GLN 133          HE22      GLN 133   3.619   2.493  -7.723
  826    H    LYS 134           HN       LYS 134   0.915   7.729  -6.385
  827    HA   LYS 134           HA       LYS 134   0.045   9.328  -8.415
  828    HB2  LYS 134           HB2      LYS 134  -1.820   8.485  -7.578
  829    HB3  LYS 134           HB3      LYS 134  -1.004   8.054  -6.094
  830    HG2  LYS 134           HG2      LYS 134  -2.001  10.838  -6.477
  831    HG3  LYS 134           HG3      LYS 134  -3.121   9.545  -6.051
  832    HD2  LYS 134           HD2      LYS 134  -1.429   9.012  -4.160
  833    HD3  LYS 134           HD3      LYS 134  -0.815  10.636  -4.480
  834    HE2  LYS 134           HE2      LYS 134  -3.633   9.909  -3.693
  835    HE3  LYS 134           HE3      LYS 134  -2.432  10.709  -2.683
  836    HZ1  LYS 134           HZ1      LYS 134  -3.766  11.794  -5.099
  837    HZ2  LYS 134           HZ2      LYS 134  -2.437  12.543  -4.354
  838    HZ3  LYS 134           HZ3      LYS 134  -3.893  12.360  -3.506
  839    H    GLU 135           HN       GLU 135   1.645  10.381  -5.491
  840    HA   GLU 135           HA       GLU 135   1.045  13.082  -5.550
  841    HB2  GLU 135           HB2      GLU 135   3.341  11.433  -4.745
  842    HB3  GLU 135           HB3      GLU 135   3.761  13.089  -5.161
  843    HG2  GLU 135           HG2      GLU 135   1.660  12.296  -3.158
  844    HG3  GLU 135           HG3      GLU 135   3.316  12.756  -2.761
  845    H    ASP 136           HN       ASP 136   2.837  11.141  -7.789
  846    HA   ASP 136           HA       ASP 136   2.978  13.422  -9.646
  847    HB2  ASP 136           HB2      ASP 136   5.241  12.721  -8.728
  848    HB3  ASP 136           HB3      ASP 136   4.995  11.163  -9.506
  849    H    VAL 137           HN       VAL 137   0.764  11.957  -9.546
  850    HA   VAL 137           HA       VAL 137   0.929   9.445 -10.912
  851    HB   VAL 137           HB       VAL 137  -0.733  10.087  -9.089
  852   HG11  VAL 137          HG11      VAL 137  -2.132  11.369 -11.420
  853   HG12  VAL 137          HG12      VAL 137  -2.884  11.000  -9.867
  854   HG13  VAL 137          HG13      VAL 137  -1.558  12.161  -9.951
  855   HG21  VAL 137          HG21      VAL 137  -1.751   8.745 -11.581
  856   HG22  VAL 137          HG22      VAL 137  -0.862   7.985 -10.260
  857   HG23  VAL 137          HG23      VAL 137  -2.479   8.628  -9.977
  858    H    LYS 138           HN       LYS 138   0.065   8.884 -12.893
  859    HA   LYS 138           HA       LYS 138  -0.401  11.114 -14.755
  860    HB2  LYS 138           HB2      LYS 138   0.811   8.400 -15.333
  861    HB3  LYS 138           HB3      LYS 138   0.500   9.652 -16.528
  862    HG2  LYS 138           HG2      LYS 138   2.385   9.912 -14.197
  863    HG3  LYS 138           HG3      LYS 138   2.856   9.542 -15.857
  864    HD2  LYS 138           HD2      LYS 138   1.907  11.689 -16.588
  865    HD3  LYS 138           HD3      LYS 138   1.479  12.058 -14.915
  866    HE2  LYS 138           HE2      LYS 138   4.267  11.606 -15.977
  867    HE3  LYS 138           HE3      LYS 138   3.553  13.167 -15.577
  868    HZ1  LYS 138           HZ1      LYS 138   3.995  10.959 -13.641
  869    HZ2  LYS 138           HZ2      LYS 138   3.398  12.502 -13.281
  870    HZ3  LYS 138           HZ3      LYS 138   4.991  12.312 -13.813
  Start of MODEL   16
    1    H1   MET  29           H1       MET  29 -22.125   4.117  16.515
    2    H2   MET  29           H2       MET  29 -21.675   2.573  15.981
    3    H3   MET  29           H3       MET  29 -23.086   3.299  15.381
    4    HA   MET  29           HA       MET  29 -21.311   3.388  13.765
    5    HB2  MET  29           HB2      MET  29 -21.416   5.780  13.285
    6    HB3  MET  29           HB3      MET  29 -22.987   5.196  13.818
    7    HG2  MET  29           HG2      MET  29 -22.578   6.111  16.040
    8    HG3  MET  29           HG3      MET  29 -20.994   6.680  15.516
    9    HE1  MET  29           HE1      MET  29 -21.651   9.123  16.407
   10    HE2  MET  29           HE2      MET  29 -23.106   9.980  15.901
   11    HE3  MET  29           HE3      MET  29 -23.238   8.525  16.888
   12    H    GLU  30           HN       GLU  30 -19.221   3.938  13.195
   13    HA   GLU  30           HA       GLU  30 -17.329   4.234  15.370
   14    HB2  GLU  30           HB2      GLU  30 -16.791   4.235  12.391
   15    HB3  GLU  30           HB3      GLU  30 -15.616   3.977  13.674
   16    HG2  GLU  30           HG2      GLU  30 -17.037   1.945  14.305
   17    HG3  GLU  30           HG3      GLU  30 -17.788   2.152  12.721
   18    H    CYS  31           HN       CYS  31 -16.861   6.183  16.181
   19    HA   CYS  31           HA       CYS  31 -17.859   8.515  14.828
   20    HB2  CYS  31           HB2      CYS  31 -17.964   8.076  17.329
   21    HB3  CYS  31           HB3      CYS  31 -16.252   8.487  17.379
   22    HG   CYS  31           HG       CYS  31 -16.723  10.972  17.784
   23    H    ALA  32           HN       ALA  32 -14.718   7.043  15.288
   24    HA   ALA  32           HA       ALA  32 -13.062   9.225  14.723
   25    HB1  ALA  32           HB1      ALA  32 -11.389   7.593  14.054
   26    HB2  ALA  32           HB2      ALA  32 -12.232   7.045  15.503
   27    HB3  ALA  32           HB3      ALA  32 -12.629   6.345  13.932
   28    H    ASP  33           HN       ASP  33 -14.518   6.857  12.545
   29    HA   ASP  33           HA       ASP  33 -14.838   8.860  10.496
   30    HB2  ASP  33           HB2      ASP  33 -12.503   7.777  10.196
   31    HB3  ASP  33           HB3      ASP  33 -13.387   6.329   9.721
   32    H    VAL  34           HN       VAL  34 -16.945   8.579  10.123
   33    HA   VAL  34           HA       VAL  34 -18.250   6.158  10.905
   34    HB   VAL  34           HB       VAL  34 -19.486   8.502   9.457
   35   HG11  VAL  34          HG11      VAL  34 -21.549   7.762  10.534
   36   HG12  VAL  34          HG12      VAL  34 -20.864   6.487   9.524
   37   HG13  VAL  34          HG13      VAL  34 -20.684   6.417  11.277
   38   HG21  VAL  34          HG21      VAL  34 -20.046   9.413  11.645
   39   HG22  VAL  34          HG22      VAL  34 -19.178   8.093  12.432
   40   HG23  VAL  34          HG23      VAL  34 -18.298   9.274  11.461
   41    HA   PRO  35           HA       PRO  35 -18.056   4.310   6.780
   42    HB2  PRO  35           HB2      PRO  35 -19.436   2.136   8.219
   43    HB3  PRO  35           HB3      PRO  35 -17.954   2.082   7.258
   44    HG2  PRO  35           HG2      PRO  35 -17.857   1.874   9.909
   45    HG3  PRO  35           HG3      PRO  35 -16.633   2.796   9.016
   46    HD2  PRO  35           HD2      PRO  35 -19.027   3.809  10.521
   47    HD3  PRO  35           HD3      PRO  35 -17.352   4.405  10.547
   48    H    LEU  36           HN       LEU  36 -19.541   4.824   5.356
   49    HA   LEU  36           HA       LEU  36 -22.385   4.676   6.119
   50    HB2  LEU  36           HB2      LEU  36 -21.062   6.597   4.195
   51    HB3  LEU  36           HB3      LEU  36 -22.786   6.501   4.498
   52    HG   LEU  36           HG       LEU  36 -20.687   7.293   6.521
   53   HD11  LEU  36          HD11      LEU  36 -21.708   9.506   6.368
   54   HD12  LEU  36          HD12      LEU  36 -21.045   8.995   4.816
   55   HD13  LEU  36          HD13      LEU  36 -22.784   8.927   5.097
   56   HD21  LEU  36          HD21      LEU  36 -23.694   7.191   6.742
   57   HD22  LEU  36          HD22      LEU  36 -22.555   6.124   7.562
   58   HD23  LEU  36          HD23      LEU  36 -22.594   7.843   7.955
   59    H    LEU  37           HN       LEU  37 -20.460   2.781   4.809
   60    HA   LEU  37           HA       LEU  37 -22.108   2.106   2.484
   61    HB2  LEU  37           HB2      LEU  37 -19.080   2.111   2.555
   62    HB3  LEU  37           HB3      LEU  37 -20.056   1.460   1.251
   63    HG   LEU  37           HG       LEU  37 -20.026   4.363   2.080
   64   HD11  LEU  37          HD11      LEU  37 -18.752   4.737   0.031
   65   HD12  LEU  37          HD12      LEU  37 -17.878   3.690   1.151
   66   HD13  LEU  37          HD13      LEU  37 -18.691   2.996  -0.253
   67   HD21  LEU  37          HD21      LEU  37 -21.258   2.969  -0.296
   68   HD22  LEU  37          HD22      LEU  37 -22.127   3.692   1.058
   69   HD23  LEU  37          HD23      LEU  37 -21.202   4.714  -0.043
   70    H    THR  38           HN       THR  38 -21.238  -0.264   1.770
   71    HA   THR  38           HA       THR  38 -20.981  -1.758   4.300
   72    HB   THR  38           HB       THR  38 -22.208  -2.831   1.763
   73    HG1  THR  38           HG1      THR  38 -23.571  -1.192   2.381
   74   HG21  THR  38          HG21      THR  38 -21.422  -4.497   3.378
   75   HG22  THR  38          HG22      THR  38 -23.183  -4.489   3.291
   76   HG23  THR  38          HG23      THR  38 -22.363  -3.715   4.648
   77    HA   PRO  39           HA       PRO  39 -17.223  -2.945   2.135
   78    HB2  PRO  39           HB2      PRO  39 -15.707  -3.005   4.403
   79    HB3  PRO  39           HB3      PRO  39 -16.096  -1.526   3.522
   80    HG2  PRO  39           HG2      PRO  39 -17.000  -2.367   6.144
   81    HG3  PRO  39           HG3      PRO  39 -17.222  -0.806   5.342
   82    HD2  PRO  39           HD2      PRO  39 -19.084  -3.059   5.574
   83    HD3  PRO  39           HD3      PRO  39 -19.410  -1.372   5.124
   84    H    SER  40           HN       SER  40 -16.740  -4.960   1.557
   85    HA   SER  40           HA       SER  40 -16.437  -6.924   3.714
   86    HB2  SER  40           HB2      SER  40 -17.638  -7.464   0.990
   87    HB3  SER  40           HB3      SER  40 -17.262  -8.697   2.196
   88    HG   SER  40           HG       SER  40 -18.688  -7.260   3.599
   89    H    SER  41           HN       SER  41 -15.711  -6.563   0.185
   90    HA   SER  41           HA       SER  41 -13.288  -8.086   0.722
   91    HB2  SER  41           HB2      SER  41 -14.157  -7.084  -1.979
   92    HB3  SER  41           HB3      SER  41 -13.164  -8.491  -1.593
   93    HG   SER  41           HG       SER  41 -15.871  -8.266  -1.758
   94    H    LYS  42           HN       LYS  42 -13.751  -5.282  -1.481
   95    HA   LYS  42           HA       LYS  42 -11.079  -4.418  -0.730
   96    HB2  LYS  42           HB2      LYS  42 -11.885  -4.521  -3.140
   97    HB3  LYS  42           HB3      LYS  42 -12.832  -3.083  -2.760
   98    HG2  LYS  42           HG2      LYS  42 -10.145  -2.691  -1.837
   99    HG3  LYS  42           HG3      LYS  42 -10.112  -3.228  -3.524
  100    HD2  LYS  42           HD2      LYS  42 -12.090  -1.134  -2.833
  101    HD3  LYS  42           HD3      LYS  42 -10.393  -0.661  -2.802
  102    HE2  LYS  42           HE2      LYS  42 -11.313  -0.196  -4.981
  103    HE3  LYS  42           HE3      LYS  42 -10.147  -1.511  -5.105
  104    HZ1  LYS  42           HZ1      LYS  42 -11.936  -3.090  -5.206
  105    HZ2  LYS  42           HZ2      LYS  42 -12.172  -1.906  -6.396
  106    HZ3  LYS  42           HZ3      LYS  42 -13.089  -1.866  -4.976
  107    H    GLU  43           HN       GLU  43 -14.355  -3.527  -0.144
  108    HA   GLU  43           HA       GLU  43 -14.147  -0.767  -0.058
  109    HB2  GLU  43           HB2      GLU  43 -16.224  -2.258   0.095
  110    HB3  GLU  43           HB3      GLU  43 -15.888  -2.307   1.819
  111    HG2  GLU  43           HG2      GLU  43 -17.461  -0.608   1.564
  112    HG3  GLU  43           HG3      GLU  43 -15.921   0.228   1.748
  113    H    MET  44           HN       MET  44 -13.258  -3.172   2.299
  114    HA   MET  44           HA       MET  44 -12.795  -1.697   4.562
  115    HB2  MET  44           HB2      MET  44 -11.166  -3.927   3.341
  116    HB3  MET  44           HB3      MET  44 -10.861  -3.287   4.957
  117    HG2  MET  44           HG2      MET  44 -13.365  -4.632   3.972
  118    HG3  MET  44           HG3      MET  44 -12.180  -5.289   5.099
  119    HE1  MET  44           HE1      MET  44 -15.419  -4.691   7.261
  120    HE2  MET  44           HE2      MET  44 -15.363  -5.136   5.556
  121    HE3  MET  44           HE3      MET  44 -14.250  -5.886   6.700
  122    H    MET  45           HN       MET  45 -10.306  -2.279   2.032
  123    HA   MET  45           HA       MET  45  -8.608  -0.220   3.004
  124    HB2  MET  45           HB2      MET  45  -7.307  -0.510   0.999
  125    HB3  MET  45           HB3      MET  45  -7.784  -2.096   1.604
  126    HG2  MET  45           HG2      MET  45  -9.687  -2.006  -0.057
  127    HG3  MET  45           HG3      MET  45  -8.893  -0.588  -0.743
  128    HE1  MET  45           HE1      MET  45  -5.844  -1.262  -0.543
  129    HE2  MET  45           HE2      MET  45  -5.595  -1.982  -2.132
  130    HE3  MET  45           HE3      MET  45  -6.663  -0.592  -1.947
  131    H    SER  46           HN       SER  46 -11.122  -0.312   0.554
  132    HA   SER  46           HA       SER  46 -10.745   2.072  -0.738
  133    HB2  SER  46           HB2      SER  46 -12.498   0.484  -1.319
  134    HB3  SER  46           HB3      SER  46 -13.334   0.834   0.189
  135    HG   SER  46           HG       SER  46 -14.373   2.127  -1.136
  136    H    GLN  47           HN       GLN  47 -12.653   1.602   2.253
  137    HA   GLN  47           HA       GLN  47 -12.741   4.431   2.713
  138    HB2  GLN  47           HB2      GLN  47 -13.838   3.895   4.842
  139    HB3  GLN  47           HB3      GLN  47 -14.593   3.054   3.500
  140    HG2  GLN  47           HG2      GLN  47 -13.469   0.996   4.128
  141    HG3  GLN  47           HG3      GLN  47 -12.631   1.837   5.431
  142   HE21  GLN  47          HE21      GLN  47 -13.479   0.523   7.012
  143   HE22  GLN  47          HE22      GLN  47 -15.136   0.601   7.504
  144    H    ALA  48           HN       ALA  48 -10.965   1.726   4.237
  145    HA   ALA  48           HA       ALA  48  -9.855   3.387   6.259
  146    HB1  ALA  48           HB1      ALA  48  -8.554   1.467   6.916
  147    HB2  ALA  48           HB2      ALA  48 -10.207   0.970   6.559
  148    HB3  ALA  48           HB3      ALA  48  -8.920   0.656   5.393
  149    H    LEU  49           HN       LEU  49  -8.414   1.958   3.288
  150    HA   LEU  49           HA       LEU  49  -5.788   2.780   3.978
  151    HB2  LEU  49           HB2      LEU  49  -7.067   1.248   1.905
  152    HB3  LEU  49           HB3      LEU  49  -6.034   2.468   1.177
  153    HG   LEU  49           HG       LEU  49  -5.248   0.233   3.005
  154   HD11  LEU  49          HD11      LEU  49  -3.750  -0.269   1.130
  155   HD12  LEU  49          HD12      LEU  49  -5.451  -0.264   0.657
  156   HD13  LEU  49          HD13      LEU  49  -4.420   1.106   0.251
  157   HD21  LEU  49          HD21      LEU  49  -3.546   2.584   2.177
  158   HD22  LEU  49          HD22      LEU  49  -4.079   2.214   3.815
  159   HD23  LEU  49          HD23      LEU  49  -2.963   1.128   2.985
  160    H    LYS  50           HN       LYS  50  -8.135   3.883   1.567
  161    HA   LYS  50           HA       LYS  50  -6.466   5.833   0.498
  162    HB2  LYS  50           HB2      LYS  50  -9.488   5.864   0.469
  163    HB3  LYS  50           HB3      LYS  50  -8.408   6.649  -0.678
  164    HG2  LYS  50           HG2      LYS  50  -8.783   3.688  -0.278
  165    HG3  LYS  50           HG3      LYS  50  -9.289   4.651  -1.666
  166    HD2  LYS  50           HD2      LYS  50  -6.408   4.350  -0.808
  167    HD3  LYS  50           HD3      LYS  50  -7.178   3.317  -2.012
  168    HE2  LYS  50           HE2      LYS  50  -7.183   6.306  -2.277
  169    HE3  LYS  50           HE3      LYS  50  -5.808   5.340  -2.815
  170    HZ1  LYS  50           HZ1      LYS  50  -8.617   5.118  -3.776
  171    HZ2  LYS  50           HZ2      LYS  50  -7.354   4.075  -4.231
  172    HZ3  LYS  50           HZ3      LYS  50  -7.290   5.718  -4.649
  173    H    ALA  51           HN       ALA  51  -8.638   5.899   3.217
  174    HA   ALA  51           HA       ALA  51  -8.405   8.733   3.675
  175    HB1  ALA  51           HB1      ALA  51 -10.370   7.438   4.420
  176    HB2  ALA  51           HB2      ALA  51  -9.344   6.596   5.581
  177    HB3  ALA  51           HB3      ALA  51  -9.599   8.335   5.729
  178    H    THR  52           HN       THR  52  -6.856   5.807   4.925
  179    HA   THR  52           HA       THR  52  -5.673   7.071   7.177
  180    HB   THR  52           HB       THR  52  -6.209   4.601   6.943
  181    HG1  THR  52           HG1      THR  52  -4.735   4.185   8.468
  182   HG21  THR  52          HG21      THR  52  -3.569   4.580   5.476
  183   HG22  THR  52          HG22      THR  52  -5.142   4.244   4.751
  184   HG23  THR  52          HG23      THR  52  -4.489   3.163   5.984
  185    H    PHE  53           HN       PHE  53  -4.827   7.343   3.969
  186    HA   PHE  53           HA       PHE  53  -2.118   6.752   3.938
  187    HB2  PHE  53           HB2      PHE  53  -3.705   8.704   2.291
  188    HB3  PHE  53           HB3      PHE  53  -1.993   8.402   2.006
  189    HD1  PHE  53           HD2      PHE  53  -1.865   5.500   2.512
  190    HD2  PHE  53           HD1      PHE  53  -4.733   7.820   0.407
  191    HE1  PHE  53           HE2      PHE  53  -2.435   3.543   1.139
  192    HE2  PHE  53           HE1      PHE  53  -5.312   5.867  -0.961
  193    HZ   PHE  53           HZ       PHE  53  -4.165   3.722  -0.597
  194    H    SER  54           HN       SER  54  -3.680   9.469   5.362
  195    HA   SER  54           HA       SER  54  -1.529  11.290   5.286
  196    HB2  SER  54           HB2      SER  54  -2.775  12.224   7.361
  197    HB3  SER  54           HB3      SER  54  -3.597  12.238   5.798
  198    HG   SER  54           HG       SER  54  -5.091  11.266   6.949
  199    H    GLY  55           HN       GLY  55  -2.129   8.471   7.225
  200    HA2  GLY  55           HA1      GLY  55  -0.493   8.956   9.412
  201    HA3  GLY  55           HA2      GLY  55  -0.776   7.378   8.699
  202    H    PHE  56           HN       PHE  56   0.544   7.109   6.535
  203    HA   PHE  56           HA       PHE  56   3.272   7.260   7.479
  204    HB2  PHE  56           HB2      PHE  56   2.425   5.188   6.414
  205    HB3  PHE  56           HB3      PHE  56   2.271   6.067   4.894
  206    HD1  PHE  56           HD1      PHE  56   4.648   4.751   7.370
  207    HD2  PHE  56           HD2      PHE  56   4.178   6.567   3.551
  208    HE1  PHE  56           HE1      PHE  56   7.005   4.278   6.859
  209    HE2  PHE  56           HE2      PHE  56   6.538   6.109   3.039
  210    HZ   PHE  56           HZ       PHE  56   7.954   4.955   4.691
  211    H    THR  57           HN       THR  57   1.443   8.503   4.750
  212    HA   THR  57           HA       THR  57   3.573   9.539   3.237
  213    HB   THR  57           HB       THR  57   0.903  10.899   3.419
  214    HG1  THR  57           HG1      THR  57   0.182   8.892   3.107
  215   HG21  THR  57          HG21      THR  57   1.252  11.176   0.984
  216   HG22  THR  57          HG22      THR  57   2.813  10.368   1.136
  217   HG23  THR  57          HG23      THR  57   2.541  11.919   1.931
  218    H    LYS  58           HN       LYS  58   2.117  10.633   6.134
  219    HA   LYS  58           HA       LYS  58   3.068  13.369   6.014
  220    HB2  LYS  58           HB2      LYS  58   1.023  12.908   7.231
  221    HB3  LYS  58           HB3      LYS  58   1.847  11.733   8.242
  222    HG2  LYS  58           HG2      LYS  58   3.303  13.693   9.009
  223    HG3  LYS  58           HG3      LYS  58   2.065  14.719   8.276
  224    HD2  LYS  58           HD2      LYS  58   1.589  14.417  10.635
  225    HD3  LYS  58           HD3      LYS  58   0.357  13.602   9.668
  226    HE2  LYS  58           HE2      LYS  58   1.635  11.481   9.960
  227    HE3  LYS  58           HE3      LYS  58   2.707  12.336  11.066
  228    HZ1  LYS  58           HZ1      LYS  58  -0.205  11.890  11.428
  229    HZ2  LYS  58           HZ2      LYS  58   0.764  12.811  12.472
  230    HZ3  LYS  58           HZ3      LYS  58   1.045  11.149  12.297
  231    H    GLU  59           HN       GLU  59   3.902  10.341   7.633
  232    HA   GLU  59           HA       GLU  59   6.088  11.577   9.071
  233    HB2  GLU  59           HB2      GLU  59   5.857   9.854  10.474
  234    HB3  GLU  59           HB3      GLU  59   4.474   9.343   9.518
  235    HG2  GLU  59           HG2      GLU  59   5.856   7.886   8.205
  236    HG3  GLU  59           HG3      GLU  59   7.312   8.479   9.020
  237    H    GLN  60           HN       GLN  60   5.528   9.899   6.156
  238    HA   GLN  60           HA       GLN  60   8.026   8.934   5.430
  239    HB2  GLN  60           HB2      GLN  60   5.709   8.987   4.188
  240    HB3  GLN  60           HB3      GLN  60   6.310  10.488   3.512
  241    HG2  GLN  60           HG2      GLN  60   8.125   9.379   2.453
  242    HG3  GLN  60           HG3      GLN  60   7.743   7.861   3.274
  243   HE21  GLN  60          HE21      GLN  60   7.900   8.404   0.418
  244   HE22  GLN  60          HE22      GLN  60   6.348   8.002  -0.228
  245    H    GLN  61           HN       GLN  61   6.625  12.128   5.118
  246    HA   GLN  61           HA       GLN  61   8.865  13.489   4.087
  247    HB2  GLN  61           HB2      GLN  61   6.675  14.553   5.882
  248    HB3  GLN  61           HB3      GLN  61   7.721  15.514   4.835
  249    HG2  GLN  61           HG2      GLN  61   5.723  13.455   3.927
  250    HG3  GLN  61           HG3      GLN  61   5.515  15.202   3.851
  251   HE21  GLN  61          HE21      GLN  61   7.290  12.472   2.584
  252   HE22  GLN  61          HE22      GLN  61   7.845  13.250   1.141
  253    H    ARG  62           HN       ARG  62   7.784  12.821   7.353
  254    HA   ARG  62           HA       ARG  62   9.663  14.367   8.759
  255    HB2  ARG  62           HB2      ARG  62   7.559  13.466   9.697
  256    HB3  ARG  62           HB3      ARG  62   8.236  11.845   9.609
  257    HG2  ARG  62           HG2      ARG  62   8.374  12.669  11.860
  258    HG3  ARG  62           HG3      ARG  62   9.995  12.510  11.182
  259    HD2  ARG  62           HD2      ARG  62  10.026  14.912  10.711
  260    HD3  ARG  62           HD3      ARG  62   8.408  15.066  11.398
  261    HE   ARG  62           HE       ARG  62  10.162  13.851  13.254
  262   HH11  ARG  62          HH12      ARG  62   9.383  16.962  11.825
  263   HH12  ARG  62          HH11      ARG  62   9.974  17.866  13.187
  264   HH21  ARG  62          HH22      ARG  62  10.915  15.052  15.047
  265   HH22  ARG  62          HH21      ARG  62  10.863  16.793  14.999
  266    H    LEU  63           HN       LEU  63   9.600  10.910   7.982
  267    HA   LEU  63           HA       LEU  63  12.202  10.382   9.024
  268    HB2  LEU  63           HB2      LEU  63  10.435   8.737   7.243
  269    HB3  LEU  63           HB3      LEU  63  11.910   8.163   7.996
  270    HG   LEU  63           HG       LEU  63   9.437   9.068   9.475
  271   HD11  LEU  63          HD11      LEU  63   9.166   6.705  10.028
  272   HD12  LEU  63          HD12      LEU  63   9.080   6.974   8.288
  273   HD13  LEU  63          HD13      LEU  63  10.547   6.305   9.003
  274   HD21  LEU  63          HD21      LEU  63  10.571   8.140  11.447
  275   HD22  LEU  63          HD22      LEU  63  12.007   7.839  10.469
  276   HD23  LEU  63          HD23      LEU  63  11.461   9.493  10.749
  277    H    GLY  64           HN       GLY  64  11.561  12.247   6.620
  278    HA2  GLY  64           HA1      GLY  64  12.796  13.030   4.853
  279    HA3  GLY  64           HA2      GLY  64  14.130  12.063   5.475
  280    H    ILE  65           HN       ILE  65  11.178  10.484   4.793
  281    HA   ILE  65           HA       ILE  65  12.502   8.913   2.799
  282    HB   ILE  65           HB       ILE  65   9.662   8.658   3.790
  283   HG12  ILE  65          HG12      ILE  65  12.186   7.210   4.620
  284   HG13  ILE  65          HG13      ILE  65  11.218   8.289   5.620
  285   HG21  ILE  65          HG21      ILE  65   9.987   7.650   1.592
  286   HG22  ILE  65          HG22      ILE  65  11.378   6.748   2.192
  287   HG23  ILE  65          HG23      ILE  65   9.765   6.401   2.814
  288   HD11  ILE  65          HD11      ILE  65   9.370   6.708   5.546
  289   HD12  ILE  65          HD12      ILE  65  10.323   5.635   4.518
  290   HD13  ILE  65          HD13      ILE  65  10.833   5.952   6.177
  291    HA   PRO  66           HA       PRO  66  11.089  11.559  -0.576
  292    HB2  PRO  66           HB2      PRO  66  11.465   9.161  -2.185
  293    HB3  PRO  66           HB3      PRO  66  12.297  10.710  -2.282
  294    HG2  PRO  66           HG2      PRO  66  13.279   8.281  -1.207
  295    HG3  PRO  66           HG3      PRO  66  14.066   9.866  -1.186
  296    HD2  PRO  66           HD2      PRO  66  12.996   8.414   0.995
  297    HD3  PRO  66           HD3      PRO  66  13.680  10.047   1.014
  298    H    LYS  67           HN       LYS  67   9.135  11.784  -1.550
  299    HA   LYS  67           HA       LYS  67   6.948  10.265  -0.639
  300    HB2  LYS  67           HB2      LYS  67   7.113  12.214  -2.947
  301    HB3  LYS  67           HB3      LYS  67   5.619  11.598  -2.255
  302    HG2  LYS  67           HG2      LYS  67   6.118  12.659  -0.146
  303    HG3  LYS  67           HG3      LYS  67   7.681  13.197  -0.759
  304    HD2  LYS  67           HD2      LYS  67   6.155  15.042  -0.849
  305    HD3  LYS  67           HD3      LYS  67   6.474  14.509  -2.499
  306    HE2  LYS  67           HE2      LYS  67   4.113  14.987  -2.201
  307    HE3  LYS  67           HE3      LYS  67   4.358  13.266  -2.494
  308    HZ1  LYS  67           HZ1      LYS  67   2.784  13.528  -0.738
  309    HZ2  LYS  67           HZ2      LYS  67   3.814  14.575   0.118
  310    HZ3  LYS  67           HZ3      LYS  67   4.221  12.941  -0.057
  311    H    ASP  68           HN       ASP  68   9.000   9.868  -3.385
  312    HA   ASP  68           HA       ASP  68   7.104   8.327  -4.935
  313    HB2  ASP  68           HB2      ASP  68   8.730   9.744  -6.070
  314    HB3  ASP  68           HB3      ASP  68  10.058   8.944  -5.242
  315    HA   PRO  69           HA       PRO  69   8.834   4.503  -3.270
  316    HB2  PRO  69           HB2      PRO  69   7.193   2.791  -4.386
  317    HB3  PRO  69           HB3      PRO  69   6.546   4.052  -3.328
  318    HG2  PRO  69           HG2      PRO  69   6.495   3.864  -6.305
  319    HG3  PRO  69           HG3      PRO  69   5.274   4.519  -5.199
  320    HD2  PRO  69           HD2      PRO  69   7.280   5.980  -6.611
  321    HD3  PRO  69           HD3      PRO  69   6.156   6.606  -5.386
  322    H    ARG  70           HN       ARG  70   9.507   5.527  -6.364
  323    HA   ARG  70           HA       ARG  70  10.453   2.939  -7.363
  324    HB2  ARG  70           HB2      ARG  70   9.959   5.595  -8.646
  325    HB3  ARG  70           HB3      ARG  70  11.057   4.459  -9.412
  326    HG2  ARG  70           HG2      ARG  70   9.006   4.077 -10.439
  327    HG3  ARG  70           HG3      ARG  70   9.153   2.775  -9.261
  328    HD2  ARG  70           HD2      ARG  70   6.907   3.658  -9.212
  329    HD3  ARG  70           HD3      ARG  70   7.735   4.064  -7.706
  330    HE   ARG  70           HE       ARG  70   7.850   6.317  -8.363
  331   HH11  ARG  70          HH12      ARG  70   6.171   4.358 -10.765
  332   HH12  ARG  70          HH11      ARG  70   5.532   5.741 -11.597
  333   HH21  ARG  70          HH22      ARG  70   7.004   8.098  -9.456
  334   HH22  ARG  70          HH21      ARG  70   6.007   7.874 -10.865
  335    H    GLN  71           HN       GLN  71  11.724   4.916  -5.321
  336    HA   GLN  71           HA       GLN  71  14.454   4.587  -6.279
  337    HB2  GLN  71           HB2      GLN  71  15.035   6.959  -5.639
  338    HB3  GLN  71           HB3      GLN  71  14.067   6.792  -7.086
  339    HG2  GLN  71           HG2      GLN  71  13.575   8.620  -5.253
  340    HG3  GLN  71           HG3      GLN  71  12.290   7.860  -6.188
  341   HE21  GLN  71          HE21      GLN  71  10.916   6.469  -5.216
  342   HE22  GLN  71          HE22      GLN  71  10.808   6.295  -3.492
  343    H    TRP  72           HN       TRP  72  12.536   3.778  -4.027
  344    HA   TRP  72           HA       TRP  72  13.629   4.802  -1.624
  345    HB2  TRP  72           HB2      TRP  72  11.633   2.737  -2.453
  346    HB3  TRP  72           HB3      TRP  72  12.293   2.619  -0.825
  347    HD1  TRP  72           HD1      TRP  72  12.204   6.151  -1.050
  348    HE1  TRP  72           HE1      TRP  72   9.946   7.134  -0.264
  349    HE3  TRP  72           HE3      TRP  72   9.388   1.917  -1.240
  350    HZ2  TRP  72           HZ2      TRP  72   7.311   6.198   0.203
  351    HZ3  TRP  72           HZ3      TRP  72   7.021   2.034  -0.614
  352    HH2  TRP  72           HH2      TRP  72   6.004   4.124   0.088
  353    H    THR  73           HN       THR  73  14.763   3.559   0.002
  354    HA   THR  73           HA       THR  73  16.346   1.335  -0.947
  355    HB   THR  73           HB       THR  73  17.285   1.376   1.344
  356    HG1  THR  73           HG1      THR  73  16.517   3.242   2.667
  357   HG21  THR  73          HG21      THR  73  18.161   2.921  -0.418
  358   HG22  THR  73          HG22      THR  73  18.378   3.522   1.225
  359   HG23  THR  73          HG23      THR  73  17.088   4.175   0.215
  360    H    GLU  74           HN       GLU  74  16.365  -0.675   0.614
  361    HA   GLU  74           HA       GLU  74  13.783  -1.785   0.759
  362    HB2  GLU  74           HB2      GLU  74  14.809  -3.541   2.193
  363    HB3  GLU  74           HB3      GLU  74  15.678  -3.264   0.695
  364    HG2  GLU  74           HG2      GLU  74  16.555  -1.859   3.170
  365    HG3  GLU  74           HG3      GLU  74  16.955  -3.561   2.947
  366    H    THR  75           HN       THR  75  15.594   0.209   2.914
  367    HA   THR  75           HA       THR  75  14.159  -0.233   5.307
  368    HB   THR  75           HB       THR  75  15.550   2.298   4.385
  369    HG1  THR  75           HG1      THR  75  16.508   0.012   5.805
  370   HG21  THR  75          HG21      THR  75  14.876   1.315   7.161
  371   HG22  THR  75          HG22      THR  75  14.081   2.642   6.316
  372   HG23  THR  75          HG23      THR  75  15.778   2.780   6.772
  373    H    HIS  76           HN       HIS  76  13.754   2.053   2.619
  374    HA   HIS  76           HA       HIS  76  11.599   3.449   3.911
  375    HB2  HIS  76           HB2      HIS  76  12.656   3.603   1.076
  376    HB3  HIS  76           HB3      HIS  76  11.398   4.648   1.723
  377    HD1  HIS  76           HD1      HIS  76  14.265   5.582   0.678
  378    HD2  HIS  76           HD2      HIS  76  13.064   5.141   4.638
  379    HE1  HIS  76           HE1      HIS  76  15.830   7.004   2.017
  380    HE2  HIS  76           HE2      HIS  76  15.149   6.665   4.422
  381    H    VAL  77           HN       VAL  77  11.906   0.997   1.372
  382    HA   VAL  77           HA       VAL  77   9.213   0.940   0.605
  383    HB   VAL  77           HB       VAL  77  11.371  -1.176   0.470
  384   HG11  VAL  77          HG11      VAL  77   8.622  -1.231  -0.774
  385   HG12  VAL  77          HG12      VAL  77   9.914  -2.394  -1.079
  386   HG13  VAL  77          HG13      VAL  77   9.196  -2.272   0.529
  387   HG21  VAL  77          HG21      VAL  77  11.376  -0.614  -1.936
  388   HG22  VAL  77          HG22      VAL  77  10.179   0.647  -1.628
  389   HG23  VAL  77          HG23      VAL  77  11.790   0.772  -0.923
  390    H    ARG  78           HN       ARG  78  11.037  -1.199   2.823
  391    HA   ARG  78           HA       ARG  78   8.776  -2.714   3.543
  392    HB2  ARG  78           HB2      ARG  78  11.389  -2.346   4.998
  393    HB3  ARG  78           HB3      ARG  78  10.176  -3.553   5.413
  394    HG2  ARG  78           HG2      ARG  78  10.420  -4.494   3.126
  395    HG3  ARG  78           HG3      ARG  78  11.744  -3.359   2.853
  396    HD2  ARG  78           HD2      ARG  78  12.785  -4.350   4.967
  397    HD3  ARG  78           HD3      ARG  78  11.609  -5.651   4.782
  398    HE   ARG  78           HE       ARG  78  12.957  -5.257   2.347
  399   HH11  ARG  78          HH12      ARG  78  13.453  -6.597   5.543
  400   HH12  ARG  78          HH11      ARG  78  14.767  -7.625   5.045
  401   HH21  ARG  78          HH22      ARG  78  14.709  -6.589   1.704
  402   HH22  ARG  78          HH21      ARG  78  15.502  -7.590   2.876
  403    H    ASP  79           HN       ASP  79  10.080   0.262   4.799
  404    HA   ASP  79           HA       ASP  79   8.722   0.452   7.235
  405    HB2  ASP  79           HB2      ASP  79  10.403   2.084   5.928
  406    HB3  ASP  79           HB3      ASP  79   8.882   2.873   5.498
  407    H    TRP  80           HN       TRP  80   7.797   1.464   3.979
  408    HA   TRP  80           HA       TRP  80   5.187   2.354   4.729
  409    HB2  TRP  80           HB2      TRP  80   6.024   3.503   2.916
  410    HB3  TRP  80           HB3      TRP  80   6.868   2.096   2.281
  411    HD1  TRP  80           HD1      TRP  80   3.504   3.889   2.138
  412    HE1  TRP  80           HE1      TRP  80   2.209   2.923   0.136
  413    HE3  TRP  80           HE3      TRP  80   6.551  -0.033   0.969
  414    HZ2  TRP  80           HZ2      TRP  80   2.438   0.807  -1.708
  415    HZ3  TRP  80           HZ3      TRP  80   5.942  -1.489  -0.911
  416    HH2  TRP  80           HH2      TRP  80   3.923  -1.084  -2.213
  417    H    VAL  81           HN       VAL  81   6.694  -0.517   3.578
  418    HA   VAL  81           HA       VAL  81   4.511  -1.959   2.575
  419    HB   VAL  81           HB       VAL  81   7.211  -2.648   3.653
  420   HG11  VAL  81          HG11      VAL  81   5.833  -4.398   4.617
  421   HG12  VAL  81          HG12      VAL  81   5.128  -4.731   3.034
  422   HG13  VAL  81          HG13      VAL  81   6.844  -5.032   3.317
  423   HG21  VAL  81          HG21      VAL  81   7.017  -1.975   1.343
  424   HG22  VAL  81          HG22      VAL  81   7.454  -3.681   1.433
  425   HG23  VAL  81          HG23      VAL  81   5.795  -3.215   1.056
  426    H    MET  82           HN       MET  82   6.082  -2.201   5.752
  427    HA   MET  82           HA       MET  82   3.885  -3.615   6.862
  428    HB2  MET  82           HB2      MET  82   4.931  -3.263   9.046
  429    HB3  MET  82           HB3      MET  82   6.043  -3.909   7.852
  430    HG2  MET  82           HG2      MET  82   7.222  -1.922   7.673
  431    HG3  MET  82           HG3      MET  82   5.915  -0.975   8.387
  432    HE1  MET  82           HE1      MET  82   8.179  -4.100   9.271
  433    HE2  MET  82           HE2      MET  82   8.000  -4.095  11.026
  434    HE3  MET  82           HE3      MET  82   6.592  -4.361   9.997
  435    H    TRP  83           HN       TRP  83   4.218  -0.218   6.255
  436    HA   TRP  83           HA       TRP  83   2.699   0.565   8.543
  437    HB2  TRP  83           HB2      TRP  83   3.996   2.279   7.397
  438    HB3  TRP  83           HB3      TRP  83   3.084   2.028   5.908
  439    HD1  TRP  83           HD1      TRP  83   2.664   3.473   9.441
  440    HE1  TRP  83           HE1      TRP  83   0.644   5.070   9.422
  441    HE3  TRP  83           HE3      TRP  83   0.979   2.566   4.713
  442    HZ2  TRP  83           HZ2      TRP  83  -1.389   5.842   7.615
  443    HZ3  TRP  83           HZ3      TRP  83  -1.005   3.768   3.913
  444    HH2  TRP  83           HH2      TRP  83  -2.159   5.371   5.334
  445    H    ALA  84           HN       ALA  84   1.650   0.282   5.105
  446    HA   ALA  84           HA       ALA  84  -1.078   0.643   5.717
  447    HB1  ALA  84           HB1      ALA  84   0.064  -0.999   3.447
  448    HB2  ALA  84           HB2      ALA  84  -1.570  -0.337   3.551
  449    HB3  ALA  84           HB3      ALA  84  -0.184   0.748   3.411
  450    H    VAL  85           HN       VAL  85   0.988  -2.160   5.604
  451    HA   VAL  85           HA       VAL  85  -0.830  -4.160   6.230
  452    HB   VAL  85           HB       VAL  85   2.120  -3.798   6.542
  453   HG11  VAL  85          HG11      VAL  85   2.408  -6.018   7.483
  454   HG12  VAL  85          HG12      VAL  85   1.465  -5.017   8.587
  455   HG13  VAL  85          HG13      VAL  85   0.664  -6.227   7.590
  456   HG21  VAL  85          HG21      VAL  85   1.250  -4.399   4.390
  457   HG22  VAL  85          HG22      VAL  85   2.140  -5.766   5.060
  458   HG23  VAL  85          HG23      VAL  85   0.377  -5.767   5.082
  459    H    ASN  86           HN       ASN  86   1.248  -2.343   8.571
  460    HA   ASN  86           HA       ASN  86   0.059  -3.763  10.715
  461    HB2  ASN  86           HB2      ASN  86   1.555  -2.786  12.166
  462    HB3  ASN  86           HB3      ASN  86   2.429  -2.778  10.643
  463   HD21  ASN  86          HD21      ASN  86   1.082  -0.573   9.489
  464   HD22  ASN  86          HD22      ASN  86   1.562   0.854  10.364
  465    H    GLU  87           HN       GLU  87  -0.826  -0.877   9.102
  466    HA   GLU  87           HA       GLU  87  -2.330   0.228  11.305
  467    HB2  GLU  87           HB2      GLU  87  -1.341   1.492   9.246
  468    HB3  GLU  87           HB3      GLU  87  -2.764   0.901   8.400
  469    HG2  GLU  87           HG2      GLU  87  -3.337   3.046   9.119
  470    HG3  GLU  87           HG3      GLU  87  -4.127   1.959  10.259
  471    H    PHE  88           HN       PHE  88  -2.734  -1.841   8.557
  472    HA   PHE  88           HA       PHE  88  -5.585  -2.175   8.874
  473    HB2  PHE  88           HB2      PHE  88  -3.497  -2.920   6.955
  474    HB3  PHE  88           HB3      PHE  88  -4.712  -4.172   7.208
  475    HD1  PHE  88           HD1      PHE  88  -7.148  -3.549   6.956
  476    HD2  PHE  88           HD2      PHE  88  -3.962  -1.095   5.577
  477    HE1  PHE  88           HE1      PHE  88  -8.705  -2.386   5.451
  478    HE2  PHE  88           HE2      PHE  88  -5.512   0.073   4.068
  479    HZ   PHE  88           HZ       PHE  88  -7.889  -0.570   4.008
  480    H    SER  89           HN       SER  89  -3.123  -3.216  10.692
  481    HA   SER  89           HA       SER  89  -2.505  -5.019  11.879
  482    HB2  SER  89           HB2      SER  89  -4.335  -6.257  13.010
  483    HB3  SER  89           HB3      SER  89  -4.534  -4.512  13.101
  484    HG   SER  89           HG       SER  89  -5.808  -5.235  10.939
  485    H    LEU  90           HN       LEU  90  -2.226  -5.425   9.131
  486    HA   LEU  90           HA       LEU  90  -3.281  -7.998   8.403
  487    HB2  LEU  90           HB2      LEU  90  -0.893  -6.549   7.222
  488    HB3  LEU  90           HB3      LEU  90  -1.879  -7.777   6.440
  489    HG   LEU  90           HG       LEU  90  -2.751  -4.971   7.168
  490   HD11  LEU  90          HD11      LEU  90  -2.934  -4.680   4.748
  491   HD12  LEU  90          HD12      LEU  90  -1.282  -5.041   5.251
  492   HD13  LEU  90          HD13      LEU  90  -2.272  -6.297   4.506
  493   HD21  LEU  90          HD21      LEU  90  -4.840  -5.547   5.992
  494   HD22  LEU  90          HD22      LEU  90  -4.283  -7.211   5.820
  495   HD23  LEU  90          HD23      LEU  90  -4.601  -6.549   7.424
  496    H    LYS  91           HN       LYS  91  -0.140  -6.696   9.295
  497    HA   LYS  91           HA       LYS  91   1.620  -7.509  10.457
  498    HB2  LYS  91           HB2      LYS  91  -0.653  -8.748  12.005
  499    HB3  LYS  91           HB3      LYS  91   0.966  -8.427  12.620
  500    HG2  LYS  91           HG2      LYS  91   0.659  -6.075  12.442
  501    HG3  LYS  91           HG3      LYS  91  -0.844  -6.276  11.543
  502    HD2  LYS  91           HD2      LYS  91  -1.353  -5.659  13.811
  503    HD3  LYS  91           HD3      LYS  91  -1.848  -7.330  13.543
  504    HE2  LYS  91           HE2      LYS  91  -0.772  -7.091  15.695
  505    HE3  LYS  91           HE3      LYS  91   0.198  -8.104  14.631
  506    HZ1  LYS  91           HZ1      LYS  91   0.692  -5.259  15.332
  507    HZ2  LYS  91           HZ2      LYS  91   1.571  -6.109  14.154
  508    HZ3  LYS  91           HZ3      LYS  91   1.632  -6.600  15.778
  509    H    GLY  92           HN       GLY  92   0.765  -9.378   8.225
  510    HA2  GLY  92           HA1      GLY  92   2.322 -11.644   9.204
  511    HA3  GLY  92           HA2      GLY  92   0.756 -11.945   8.454
  512    H    VAL  93           HN       VAL  93   3.219  -9.575   7.699
  513    HA   VAL  93           HA       VAL  93   3.230 -10.452   4.920
  514    HB   VAL  93           HB       VAL  93   3.403  -7.872   6.236
  515   HG11  VAL  93          HG11      VAL  93   5.097  -6.852   4.820
  516   HG12  VAL  93          HG12      VAL  93   5.810  -8.081   5.865
  517   HG13  VAL  93          HG13      VAL  93   5.516  -8.432   4.161
  518   HG21  VAL  93          HG21      VAL  93   1.823  -8.500   4.478
  519   HG22  VAL  93          HG22      VAL  93   2.786  -7.090   4.027
  520   HG23  VAL  93          HG23      VAL  93   3.176  -8.671   3.345
  521    H    ASP  94           HN       ASP  94   4.938 -11.485   4.091
  522    HA   ASP  94           HA       ASP  94   7.170 -12.042   5.820
  523    HB2  ASP  94           HB2      ASP  94   6.171 -13.672   4.107
  524    HB3  ASP  94           HB3      ASP  94   6.997 -12.712   2.881
  525    H    PHE  95           HN       PHE  95   8.529 -10.438   6.143
  526    HA   PHE  95           HA       PHE  95   8.669  -8.194   4.409
  527    HB2  PHE  95           HB2      PHE  95  10.529  -8.904   6.689
  528    HB3  PHE  95           HB3      PHE  95  10.324  -7.311   5.965
  529    HD1  PHE  95           HD1      PHE  95   7.975  -6.269   6.093
  530    HD2  PHE  95           HD2      PHE  95   9.247  -9.526   8.517
  531    HE1  PHE  95           HE1      PHE  95   6.199  -5.749   7.719
  532    HE2  PHE  95           HE2      PHE  95   7.472  -9.016  10.140
  533    HZ   PHE  95           HZ       PHE  95   5.898  -7.169   9.704
  534    H    GLN  96           HN       GLN  96  10.230 -11.171   4.547
  535    HA   GLN  96           HA       GLN  96  12.621 -10.361   3.150
  536    HB2  GLN  96           HB2      GLN  96  12.404 -12.331   4.774
  537    HB3  GLN  96           HB3      GLN  96  11.593 -13.171   3.456
  538    HG2  GLN  96           HG2      GLN  96  13.960 -13.742   3.620
  539    HG3  GLN  96           HG3      GLN  96  13.549 -12.996   2.077
  540   HE21  GLN  96          HE21      GLN  96  14.302 -10.917   1.624
  541   HE22  GLN  96          HE22      GLN  96  15.575 -10.179   2.533
  542    H    LYS  97           HN       LYS  97   9.449 -11.651   2.376
  543    HA   LYS  97           HA       LYS  97  10.074 -12.098  -0.392
  544    HB2  LYS  97           HB2      LYS  97   8.014 -12.945   1.139
  545    HB3  LYS  97           HB3      LYS  97   7.268 -11.508   0.447
  546    HG2  LYS  97           HG2      LYS  97   8.467 -13.775  -1.138
  547    HG3  LYS  97           HG3      LYS  97   6.749 -13.552  -0.811
  548    HD2  LYS  97           HD2      LYS  97   6.827 -11.396  -1.997
  549    HD3  LYS  97           HD3      LYS  97   8.535 -11.669  -2.349
  550    HE2  LYS  97           HE2      LYS  97   6.232 -13.387  -3.262
  551    HE3  LYS  97           HE3      LYS  97   7.122 -12.237  -4.259
  552    HZ1  LYS  97           HZ1      LYS  97   7.949 -14.410  -4.691
  553    HZ2  LYS  97           HZ2      LYS  97   8.157 -14.740  -3.042
  554    HZ3  LYS  97           HZ3      LYS  97   9.144 -13.590  -3.807
  555    H    PHE  98           HN       PHE  98   9.098  -9.554   1.688
  556    HA   PHE  98           HA       PHE  98   8.404  -7.698  -0.411
  557    HB2  PHE  98           HB2      PHE  98   8.392  -7.678   2.564
  558    HB3  PHE  98           HB3      PHE  98   8.486  -6.129   1.726
  559    HD1  PHE  98           HD2      PHE  98   6.409  -9.107   2.324
  560    HD2  PHE  98           HD1      PHE  98   6.668  -5.288   0.465
  561    HE1  PHE  98           HE2      PHE  98   3.988  -9.133   1.927
  562    HE2  PHE  98           HE1      PHE  98   4.246  -5.304   0.076
  563    HZ   PHE  98           HZ       PHE  98   2.901  -7.232   0.809
  564    H    CYS  99           HN       CYS  99  11.082  -8.895  -0.293
  565    HA   CYS  99           HA       CYS  99  12.909  -6.857   0.549
  566    HB2  CYS  99           HB2      CYS  99  13.461  -9.290   0.504
  567    HB3  CYS  99           HB3      CYS  99  13.377  -9.235  -1.254
  568    HG   CYS  99           HG       CYS  99  15.621  -7.840  -1.684
  569    H    MET 100           HN       MET 100  11.860  -5.115  -0.684
  570    HA   MET 100           HA       MET 100  13.036  -5.017  -3.371
  571    HB2  MET 100           HB2      MET 100  10.439  -3.825  -2.404
  572    HB3  MET 100           HB3      MET 100  11.240  -3.272  -3.866
  573    HG2  MET 100           HG2      MET 100   9.684  -4.740  -4.683
  574    HG3  MET 100           HG3      MET 100  11.136  -5.749  -4.574
  575    HE1  MET 100           HE1      MET 100   8.924  -4.554  -1.543
  576    HE2  MET 100           HE2      MET 100   7.746  -4.786  -2.833
  577    HE3  MET 100           HE3      MET 100   7.748  -5.863  -1.438
  578    H    SER 101           HN       SER 101  14.402  -3.383  -3.749
  579    HA   SER 101           HA       SER 101  14.451  -1.052  -2.031
  580    HB2  SER 101           HB2      SER 101  15.987  -0.161  -3.847
  581    HB3  SER 101           HB3      SER 101  16.555  -1.660  -3.107
  582    HG   SER 101           HG       SER 101  16.691  -2.192  -5.169
  583    H    GLY 102           HN       GLY 102  13.873   1.120  -3.183
  584    HA2  GLY 102           HA1      GLY 102  11.229   1.062  -3.937
  585    HA3  GLY 102           HA2      GLY 102  12.324   2.372  -4.310
  586    H    ALA 103           HN       ALA 103  14.068   1.141  -6.142
  587    HA   ALA 103           HA       ALA 103  12.616   1.233  -8.522
  588    HB1  ALA 103           HB1      ALA 103  15.257  -0.128  -7.998
  589    HB2  ALA 103           HB2      ALA 103  14.616   0.305  -9.582
  590    HB3  ALA 103           HB3      ALA 103  15.033   1.568  -8.425
  591    H    ALA 104           HN       ALA 104  13.570  -1.476  -6.496
  592    HA   ALA 104           HA       ALA 104  12.526  -3.515  -8.176
  593    HB1  ALA 104           HB1      ALA 104  14.220  -3.973  -6.477
  594    HB2  ALA 104           HB2      ALA 104  13.073  -3.538  -5.208
  595    HB3  ALA 104           HB3      ALA 104  12.780  -4.958  -6.214
  596    H    LEU 105           HN       LEU 105  11.259  -1.830  -5.266
  597    HA   LEU 105           HA       LEU 105   8.824  -2.856  -4.954
  598    HB2  LEU 105           HB2      LEU 105   9.795  -0.973  -3.678
  599    HB3  LEU 105           HB3      LEU 105   9.445   0.101  -5.027
  600    HG   LEU 105           HG       LEU 105   7.047  -0.414  -4.765
  601   HD11  LEU 105          HD11      LEU 105   8.037  -1.972  -2.392
  602   HD12  LEU 105          HD12      LEU 105   6.363  -1.446  -2.583
  603   HD13  LEU 105          HD13      LEU 105   7.077  -2.558  -3.753
  604   HD21  LEU 105          HD21      LEU 105   6.703   0.927  -2.793
  605   HD22  LEU 105          HD22      LEU 105   8.362   0.622  -2.270
  606   HD23  LEU 105          HD23      LEU 105   8.056   1.555  -3.734
  607    H    CYS 106           HN       CYS 106   9.624  -0.379  -7.251
  608    HA   CYS 106           HA       CYS 106   7.171  -0.358  -8.595
  609    HB2  CYS 106           HB2      CYS 106   8.742   1.448  -8.790
  610    HB3  CYS 106           HB3      CYS 106   9.939   0.374  -9.509
  611    HG   CYS 106           HG       CYS 106   7.068   1.572 -10.931
  612    H    ALA 107           HN       ALA 107  10.248  -1.908  -9.547
  613    HA   ALA 107           HA       ALA 107   9.499  -2.928 -11.957
  614    HB1  ALA 107           HB1      ALA 107  11.781  -2.856 -11.064
  615    HB2  ALA 107           HB2      ALA 107  11.398  -4.231 -10.029
  616    HB3  ALA 107           HB3      ALA 107  11.376  -4.415 -11.783
  617    H    LEU 108           HN       LEU 108   8.640  -4.325  -8.824
  618    HA   LEU 108           HA       LEU 108   8.032  -6.885  -9.758
  619    HB2  LEU 108           HB2      LEU 108   6.314  -6.877  -7.824
  620    HB3  LEU 108           HB3      LEU 108   8.022  -6.803  -7.466
  621    HG   LEU 108           HG       LEU 108   7.722  -4.287  -7.205
  622   HD11  LEU 108          HD11      LEU 108   4.811  -5.086  -7.234
  623   HD12  LEU 108          HD12      LEU 108   5.424  -3.567  -6.565
  624   HD13  LEU 108          HD13      LEU 108   5.612  -3.917  -8.284
  625   HD21  LEU 108          HD21      LEU 108   6.323  -6.171  -5.324
  626   HD22  LEU 108          HD22      LEU 108   8.047  -5.799  -5.349
  627   HD23  LEU 108          HD23      LEU 108   6.881  -4.546  -4.925
  628    H    GLY 109           HN       GLY 109   6.089  -3.949  -9.800
  629    HA2  GLY 109           HA1      GLY 109   4.210  -3.447 -11.022
  630    HA3  GLY 109           HA2      GLY 109   4.419  -4.970 -11.875
  631    H    LYS 110           HN       LYS 110   1.941  -4.208 -11.333
  632    HA   LYS 110           HA       LYS 110   0.628  -4.830  -9.033
  633    HB2  LYS 110           HB2      LYS 110  -0.213  -4.250 -11.472
  634    HB3  LYS 110           HB3      LYS 110  -0.402  -5.987 -11.602
  635    HG2  LYS 110           HG2      LYS 110  -1.787  -4.150  -9.675
  636    HG3  LYS 110           HG3      LYS 110  -2.499  -4.992 -11.045
  637    HD2  LYS 110           HD2      LYS 110  -1.403  -6.229  -8.529
  638    HD3  LYS 110           HD3      LYS 110  -3.100  -6.067  -8.963
  639    HE2  LYS 110           HE2      LYS 110  -1.019  -7.826 -10.260
  640    HE3  LYS 110           HE3      LYS 110  -2.417  -8.343  -9.326
  641    HZ1  LYS 110           HZ1      LYS 110  -3.109  -8.656 -11.483
  642    HZ2  LYS 110           HZ2      LYS 110  -2.300  -7.291 -12.077
  643    HZ3  LYS 110           HZ3      LYS 110  -3.726  -7.105 -11.179
  644    H    GLU 111           HN       GLU 111   1.244  -7.149 -11.633
  645    HA   GLU 111           HA       GLU 111   0.141  -9.376 -10.503
  646    HB2  GLU 111           HB2      GLU 111   2.417  -9.111 -12.459
  647    HB3  GLU 111           HB3      GLU 111   1.719 -10.663 -12.031
  648    HG2  GLU 111           HG2      GLU 111   0.823  -9.780 -14.131
  649    HG3  GLU 111           HG3      GLU 111  -0.428  -9.993 -12.908
  650    H    CYS 112           HN       CYS 112   3.475  -8.284 -10.136
  651    HA   CYS 112           HA       CYS 112   4.213 -10.666  -8.720
  652    HB2  CYS 112           HB2      CYS 112   5.844  -9.365 -10.068
  653    HB3  CYS 112           HB3      CYS 112   5.739  -8.068  -8.884
  654    HG   CYS 112           HG       CYS 112   8.016 -10.095  -8.867
  655    H    PHE 113           HN       PHE 113   3.697  -7.250  -7.759
  656    HA   PHE 113           HA       PHE 113   4.213  -7.528  -5.074
  657    HB2  PHE 113           HB2      PHE 113   3.561  -5.409  -6.468
  658    HB3  PHE 113           HB3      PHE 113   1.928  -5.780  -5.931
  659    HD1  PHE 113           HD2      PHE 113   1.654  -6.198  -3.396
  660    HD2  PHE 113           HD1      PHE 113   4.935  -4.070  -5.109
  661    HE1  PHE 113           HE2      PHE 113   2.121  -5.177  -1.223
  662    HE2  PHE 113           HE1      PHE 113   5.400  -3.062  -2.923
  663    HZ   PHE 113           HZ       PHE 113   4.006  -3.623  -0.980
  664    H    LEU 114           HN       LEU 114   1.063  -8.087  -6.676
  665    HA   LEU 114           HA       LEU 114  -0.118  -8.663  -4.153
  666    HB2  LEU 114           HB2      LEU 114  -1.193  -8.872  -6.921
  667    HB3  LEU 114           HB3      LEU 114  -2.088  -9.389  -5.495
  668    HG   LEU 114           HG       LEU 114  -1.924  -7.169  -4.555
  669   HD11  LEU 114          HD11      LEU 114  -0.590  -6.373  -7.116
  670   HD12  LEU 114          HD12      LEU 114  -1.084  -5.289  -5.812
  671   HD13  LEU 114          HD13      LEU 114   0.173  -6.501  -5.522
  672   HD21  LEU 114          HD21      LEU 114  -3.880  -7.645  -5.852
  673   HD22  LEU 114          HD22      LEU 114  -3.371  -5.988  -6.186
  674   HD23  LEU 114          HD23      LEU 114  -3.020  -7.268  -7.345
  675    H    GLU 115           HN       GLU 115   1.452 -10.536  -6.578
  676    HA   GLU 115           HA       GLU 115   0.726 -13.017  -5.360
  677    HB2  GLU 115           HB2      GLU 115   2.820 -12.211  -7.351
  678    HB3  GLU 115           HB3      GLU 115   2.805 -13.829  -6.663
  679    HG2  GLU 115           HG2      GLU 115   0.476 -12.583  -8.096
  680    HG3  GLU 115           HG3      GLU 115   1.670 -13.634  -8.863
  681    H    LEU 116           HN       LEU 116   2.640 -10.468  -4.515
  682    HA   LEU 116           HA       LEU 116   4.819 -11.925  -3.268
  683    HB2  LEU 116           HB2      LEU 116   5.681 -10.091  -4.292
  684    HB3  LEU 116           HB3      LEU 116   4.201  -9.165  -4.111
  685    HG   LEU 116           HG       LEU 116   5.654  -9.586  -1.601
  686   HD11  LEU 116          HD11      LEU 116   7.530  -9.380  -3.200
  687   HD12  LEU 116          HD12      LEU 116   6.836  -7.863  -3.772
  688   HD13  LEU 116          HD13      LEU 116   7.408  -8.000  -2.110
  689   HD21  LEU 116          HD21      LEU 116   5.128  -7.247  -1.346
  690   HD22  LEU 116          HD22      LEU 116   4.624  -7.155  -3.034
  691   HD23  LEU 116          HD23      LEU 116   3.702  -8.130  -1.891
  692    H    ALA 117           HN       ALA 117   1.890 -10.290  -2.441
  693    HA   ALA 117           HA       ALA 117   2.228 -11.233   0.332
  694    HB1  ALA 117           HB1      ALA 117   0.885  -8.648  -0.508
  695    HB2  ALA 117           HB2      ALA 117   0.936  -9.295   1.136
  696    HB3  ALA 117           HB3      ALA 117   2.426  -8.783   0.339
  697    HA   PRO 118           HA       PRO 118  -2.071 -12.852  -0.103
  698    HB2  PRO 118           HB2      PRO 118  -2.983 -10.618   1.646
  699    HB3  PRO 118           HB3      PRO 118  -3.383 -12.338   1.727
  700    HG2  PRO 118           HG2      PRO 118  -1.652 -11.260   3.450
  701    HG3  PRO 118           HG3      PRO 118  -1.398 -12.888   2.796
  702    HD2  PRO 118           HD2      PRO 118  -0.005 -10.343   2.138
  703    HD3  PRO 118           HD3      PRO 118   0.610 -12.008   2.118
  704    H    ASP 119           HN       ASP 119  -3.651 -12.383  -1.556
  705    HA   ASP 119           HA       ASP 119  -3.204 -10.444  -3.450
  706    HB2  ASP 119           HB2      ASP 119  -5.362 -11.022  -4.424
  707    HB3  ASP 119           HB3      ASP 119  -4.495 -12.461  -3.901
  708    H    PHE 120           HN       PHE 120  -4.920  -9.944  -0.463
  709    HA   PHE 120           HA       PHE 120  -6.261  -7.587  -1.524
  710    HB2  PHE 120           HB2      PHE 120  -7.549  -9.030   0.014
  711    HB3  PHE 120           HB3      PHE 120  -6.337  -8.754   1.256
  712    HD1  PHE 120           HD1      PHE 120  -7.944  -6.345  -1.086
  713    HD2  PHE 120           HD2      PHE 120  -7.413  -7.626   2.938
  714    HE1  PHE 120           HE1      PHE 120  -9.206  -4.390  -0.294
  715    HE2  PHE 120           HE2      PHE 120  -8.669  -5.670   3.733
  716    HZ   PHE 120           HZ       PHE 120  -9.568  -4.047   2.114
  717    H    VAL 121           HN       VAL 121  -3.728  -8.636   0.540
  718    HA   VAL 121           HA       VAL 121  -3.096  -6.089   1.645
  719    HB   VAL 121           HB       VAL 121  -1.591  -8.701   1.605
  720   HG11  VAL 121          HG11      VAL 121  -1.146  -6.237   3.289
  721   HG12  VAL 121          HG12      VAL 121  -0.321  -7.786   3.489
  722   HG13  VAL 121          HG13      VAL 121  -0.077  -6.839   2.022
  723   HG21  VAL 121          HG21      VAL 121  -3.311  -7.440   3.729
  724   HG22  VAL 121          HG22      VAL 121  -3.845  -8.700   2.611
  725   HG23  VAL 121          HG23      VAL 121  -2.560  -9.039   3.781
  726    H    GLY 122           HN       GLY 122  -1.710  -8.177  -0.887
  727    HA2  GLY 122           HA1      GLY 122   0.413  -6.534  -1.629
  728    HA3  GLY 122           HA2      GLY 122  -0.453  -7.631  -2.701
  729    H    ASP 123           HN       ASP 123  -3.017  -6.453  -2.528
  730    HA   ASP 123           HA       ASP 123  -2.694  -4.291  -4.371
  731    HB2  ASP 123           HB2      ASP 123  -4.508  -5.973  -4.564
  732    HB3  ASP 123           HB3      ASP 123  -5.207  -5.359  -3.069
  733    H    ILE 124           HN       ILE 124  -3.805  -4.643  -1.031
  734    HA   ILE 124           HA       ILE 124  -4.377  -2.044  -0.369
  735    HB   ILE 124           HB       ILE 124  -3.183  -4.322   1.156
  736   HG12  ILE 124          HG12      ILE 124  -5.633  -2.614   1.629
  737   HG13  ILE 124          HG13      ILE 124  -5.622  -4.118   0.710
  738   HG21  ILE 124          HG21      ILE 124  -1.960  -2.425   2.061
  739   HG22  ILE 124          HG22      ILE 124  -3.459  -1.520   2.264
  740   HG23  ILE 124          HG23      ILE 124  -3.166  -2.968   3.228
  741   HD11  ILE 124          HD11      ILE 124  -4.880  -3.853   3.616
  742   HD12  ILE 124          HD12      ILE 124  -6.430  -4.425   2.998
  743   HD13  ILE 124          HD13      ILE 124  -4.962  -5.352   2.686
  744    H    LEU 125           HN       LEU 125  -1.193  -3.542   0.075
  745    HA   LEU 125           HA       LEU 125   0.187  -1.146   0.386
  746    HB2  LEU 125           HB2      LEU 125   0.881  -3.960  -0.220
  747    HB3  LEU 125           HB3      LEU 125   2.114  -2.743  -0.517
  748    HG   LEU 125           HG       LEU 125   0.681  -3.014   2.112
  749   HD11  LEU 125          HD11      LEU 125   2.654  -4.177   2.922
  750   HD12  LEU 125          HD12      LEU 125   1.902  -5.081   1.608
  751   HD13  LEU 125          HD13      LEU 125   3.359  -4.135   1.307
  752   HD21  LEU 125          HD21      LEU 125   1.688  -0.844   1.636
  753   HD22  LEU 125          HD22      LEU 125   2.561  -1.686   2.918
  754   HD23  LEU 125          HD23      LEU 125   3.227  -1.632   1.284
  755    H    TRP 126           HN       TRP 126  -0.568  -3.009  -2.535
  756    HA   TRP 126           HA       TRP 126   1.013  -1.488  -4.299
  757    HB2  TRP 126           HB2      TRP 126   0.155  -3.612  -5.045
  758    HB3  TRP 126           HB3      TRP 126  -1.509  -3.072  -4.831
  759    HD1  TRP 126           HD1      TRP 126  -2.649  -2.124  -6.882
  760    HE1  TRP 126           HE1      TRP 126  -1.871  -1.235  -9.192
  761    HE3  TRP 126           HE3      TRP 126   2.397  -2.450  -6.211
  762    HZ2  TRP 126           HZ2      TRP 126   0.582  -0.764 -10.525
  763    HZ3  TRP 126           HZ3      TRP 126   3.892  -1.768  -8.042
  764    HH2  TRP 126           HH2      TRP 126   3.000  -0.947 -10.159
  765    H    GLU 127           HN       GLU 127  -2.327  -1.015  -3.158
  766    HA   GLU 127           HA       GLU 127  -2.948   1.196  -4.732
  767    HB2  GLU 127           HB2      GLU 127  -3.947   0.077  -2.228
  768    HB3  GLU 127           HB3      GLU 127  -4.076   1.831  -2.295
  769    HG2  GLU 127           HG2      GLU 127  -5.119  -0.034  -4.404
  770    HG3  GLU 127           HG3      GLU 127  -6.081   0.643  -3.095
  771    H    HIS 128           HN       HIS 128  -1.651   1.252  -1.389
  772    HA   HIS 128           HA       HIS 128  -1.088   4.008  -1.500
  773    HB2  HIS 128           HB2      HIS 128  -1.054   2.518   0.592
  774    HB3  HIS 128           HB3      HIS 128   0.592   2.097   0.121
  775    HD1  HIS 128           HD1      HIS 128   0.749   3.387   2.666
  776    HD2  HIS 128           HD2      HIS 128   0.253   5.705  -0.757
  777    HE1  HIS 128           HE1      HIS 128   1.458   5.711   3.314
  778    HE2  HIS 128           HE2      HIS 128   1.212   7.090   1.218
  779    H    LEU 129           HN       LEU 129   0.797   1.234  -2.618
  780    HA   LEU 129           HA       LEU 129   3.148   2.545  -3.272
  781    HB2  LEU 129           HB2      LEU 129   2.732   0.109  -3.441
  782    HB3  LEU 129           HB3      LEU 129   1.685   0.394  -4.813
  783    HG   LEU 129           HG       LEU 129   3.440   0.722  -6.266
  784   HD11  LEU 129          HD11      LEU 129   5.625   1.534  -5.635
  785   HD12  LEU 129          HD12      LEU 129   4.385   2.606  -4.977
  786   HD13  LEU 129          HD13      LEU 129   5.196   1.446  -3.925
  787   HD21  LEU 129          HD21      LEU 129   3.591  -1.538  -5.267
  788   HD22  LEU 129          HD22      LEU 129   5.149  -0.923  -5.816
  789   HD23  LEU 129          HD23      LEU 129   4.753  -0.911  -4.097
  790    H    GLU 130           HN       GLU 130   0.151   2.182  -5.102
  791    HA   GLU 130           HA       GLU 130   0.952   3.795  -7.236
  792    HB2  GLU 130           HB2      GLU 130  -1.004   2.112  -7.097
  793    HB3  GLU 130           HB3      GLU 130  -1.912   3.429  -6.372
  794    HG2  GLU 130           HG2      GLU 130  -0.585   3.697  -9.052
  795    HG3  GLU 130           HG3      GLU 130  -2.194   3.008  -8.867
  796    H    ILE 131           HN       ILE 131  -0.849   4.442  -4.315
  797    HA   ILE 131           HA       ILE 131  -1.448   7.124  -4.703
  798    HB   ILE 131           HB       ILE 131  -1.135   5.351  -2.345
  799   HG12  ILE 131          HG12      ILE 131  -3.477   5.889  -1.974
  800   HG13  ILE 131          HG13      ILE 131  -3.417   7.160  -3.188
  801   HG21  ILE 131          HG21      ILE 131  -1.821   7.233  -0.837
  802   HG22  ILE 131          HG22      ILE 131  -0.162   7.347  -1.439
  803   HG23  ILE 131          HG23      ILE 131  -1.431   8.349  -2.148
  804   HD11  ILE 131          HD11      ILE 131  -4.563   5.312  -4.125
  805   HD12  ILE 131          HD12      ILE 131  -2.977   5.381  -4.893
  806   HD13  ILE 131          HD13      ILE 131  -3.300   4.185  -3.630
  807    H    LEU 132           HN       LEU 132   1.514   5.675  -3.315
  808    HA   LEU 132           HA       LEU 132   2.793   8.068  -2.608
  809    HB2  LEU 132           HB2      LEU 132   4.184   5.632  -3.679
  810    HB3  LEU 132           HB3      LEU 132   4.874   6.878  -2.661
  811    HG   LEU 132           HG       LEU 132   2.560   5.412  -1.551
  812   HD11  LEU 132          HD11      LEU 132   3.778   3.674  -2.718
  813   HD12  LEU 132          HD12      LEU 132   5.285   4.187  -1.956
  814   HD13  LEU 132          HD13      LEU 132   3.987   3.509  -0.976
  815   HD21  LEU 132          HD21      LEU 132   5.268   6.238  -0.457
  816   HD22  LEU 132          HD22      LEU 132   3.745   7.103  -0.228
  817   HD23  LEU 132          HD23      LEU 132   3.967   5.497   0.480
  818    H    GLN 133           HN       GLN 133   2.580   6.355  -5.653
  819    HA   GLN 133           HA       GLN 133   4.468   8.158  -6.906
  820    HB2  GLN 133           HB2      GLN 133   4.352   6.810  -8.824
  821    HB3  GLN 133           HB3      GLN 133   4.234   5.682  -7.485
  822    HG2  GLN 133           HG2      GLN 133   1.632   6.115  -7.933
  823    HG3  GLN 133           HG3      GLN 133   2.265   6.391  -9.555
  824   HE21  GLN 133          HE21      GLN 133   3.612   4.180  -7.185
  825   HE22  GLN 133          HE22      GLN 133   3.226   2.726  -8.037
  826    H    LYS 134           HN       LYS 134   0.964   7.750  -6.618
  827    HA   LYS 134           HA       LYS 134   0.194   9.767  -8.350
  828    HB2  LYS 134           HB2      LYS 134  -1.696   8.770  -7.661
  829    HB3  LYS 134           HB3      LYS 134  -0.930   8.149  -6.208
  830    HG2  LYS 134           HG2      LYS 134  -1.420  10.963  -5.934
  831    HG3  LYS 134           HG3      LYS 134  -2.900  10.124  -6.401
  832    HD2  LYS 134           HD2      LYS 134  -2.634   8.571  -4.554
  833    HD3  LYS 134           HD3      LYS 134  -1.098   9.318  -4.108
  834    HE2  LYS 134           HE2      LYS 134  -3.783  10.707  -4.107
  835    HE3  LYS 134           HE3      LYS 134  -2.977  10.052  -2.684
  836    HZ1  LYS 134           HZ1      LYS 134  -2.600  12.417  -2.873
  837    HZ2  LYS 134           HZ2      LYS 134  -1.942  12.233  -4.418
  838    HZ3  LYS 134           HZ3      LYS 134  -1.137  11.582  -3.072
  839    H    GLU 135           HN       GLU 135   1.736   9.949  -5.207
  840    HA   GLU 135           HA       GLU 135   1.158  12.560  -4.497
  841    HB2  GLU 135           HB2      GLU 135   3.767  11.062  -4.247
  842    HB3  GLU 135           HB3      GLU 135   3.415  12.580  -3.434
  843    HG2  GLU 135           HG2      GLU 135   1.954   9.978  -3.045
  844    HG3  GLU 135           HG3      GLU 135   3.121  10.698  -1.936
  845    H    ASP 136           HN       ASP 136   2.954  11.400  -7.188
  846    HA   ASP 136           HA       ASP 136   3.568  14.187  -7.907
  847    HB2  ASP 136           HB2      ASP 136   5.609  12.770  -7.431
  848    HB3  ASP 136           HB3      ASP 136   5.152  11.768  -8.805
  849    H    VAL 137           HN       VAL 137   1.154  12.612  -8.385
  850    HA   VAL 137           HA       VAL 137   1.280  11.862 -11.182
  851    HB   VAL 137           HB       VAL 137  -0.135  10.663  -9.397
  852   HG11  VAL 137          HG11      VAL 137  -1.980  12.978  -9.975
  853   HG12  VAL 137          HG12      VAL 137  -2.428  11.501  -9.121
  854   HG13  VAL 137          HG13      VAL 137  -1.232  12.593  -8.425
  855   HG21  VAL 137          HG21      VAL 137  -1.859  10.076 -11.031
  856   HG22  VAL 137          HG22      VAL 137  -1.406  11.474 -12.007
  857   HG23  VAL 137          HG23      VAL 137  -0.259  10.155 -11.772
  858    H    LYS 138           HN       LYS 138   0.156  12.860 -12.842
  859    HA   LYS 138           HA       LYS 138  -0.802  15.581 -12.290
  860    HB2  LYS 138           HB2      LYS 138  -0.166  15.951 -14.770
  861    HB3  LYS 138           HB3      LYS 138   1.119  15.918 -13.571
  862    HG2  LYS 138           HG2      LYS 138   1.599  13.589 -14.152
  863    HG3  LYS 138           HG3      LYS 138   0.322  13.636 -15.366
  864    HD2  LYS 138           HD2      LYS 138   1.507  15.305 -16.626
  865    HD3  LYS 138           HD3      LYS 138   2.724  15.455 -15.358
  866    HE2  LYS 138           HE2      LYS 138   2.186  12.953 -16.953
  867    HE3  LYS 138           HE3      LYS 138   3.489  14.096 -17.274
  868    HZ1  LYS 138           HZ1      LYS 138   4.233  12.173 -15.973
  869    HZ2  LYS 138           HZ2      LYS 138   3.143  12.577 -14.739
  870    HZ3  LYS 138           HZ3      LYS 138   4.424  13.622 -15.115
  Start of MODEL   17
    1    H1   MET  29           H1       MET  29 -14.684  -4.747 -16.910
    2    H2   MET  29           H2       MET  29 -13.591  -3.739 -16.095
    3    H3   MET  29           H3       MET  29 -15.219  -3.287 -16.242
    4    HA   MET  29           HA       MET  29 -14.193  -5.617 -14.725
    5    HB2  MET  29           HB2      MET  29 -13.820  -3.247 -13.801
    6    HB3  MET  29           HB3      MET  29 -15.567  -3.156 -13.637
    7    HG2  MET  29           HG2      MET  29 -15.574  -4.992 -12.095
    8    HG3  MET  29           HG3      MET  29 -13.852  -5.270 -12.358
    9    HE1  MET  29           HE1      MET  29 -13.156  -5.169  -9.855
   10    HE2  MET  29           HE2      MET  29 -13.734  -3.947  -8.724
   11    HE3  MET  29           HE3      MET  29 -14.870  -5.083  -9.450
   12    H    GLU  30           HN       GLU  30 -15.788  -6.961 -13.855
   13    HA   GLU  30           HA       GLU  30 -18.155  -7.093 -15.427
   14    HB2  GLU  30           HB2      GLU  30 -17.026  -9.119 -14.605
   15    HB3  GLU  30           HB3      GLU  30 -17.449  -8.676 -12.955
   16    HG2  GLU  30           HG2      GLU  30 -19.803  -8.877 -13.470
   17    HG3  GLU  30           HG3      GLU  30 -19.426  -9.231 -15.154
   18    H    CYS  31           HN       CYS  31 -20.072  -6.297 -15.115
   19    HA   CYS  31           HA       CYS  31 -21.034  -5.801 -12.397
   20    HB2  CYS  31           HB2      CYS  31 -21.201  -3.786 -14.650
   21    HB3  CYS  31           HB3      CYS  31 -22.027  -3.638 -13.103
   22    HG   CYS  31           HG       CYS  31 -18.922  -4.128 -12.371
   23    H    ALA  32           HN       ALA  32 -21.387  -7.436 -15.112
   24    HA   ALA  32           HA       ALA  32 -24.118  -7.000 -15.814
   25    HB1  ALA  32           HB1      ALA  32 -22.321  -9.341 -16.432
   26    HB2  ALA  32           HB2      ALA  32 -23.871  -8.995 -17.200
   27    HB3  ALA  32           HB3      ALA  32 -22.513  -7.891 -17.419
   28    H    ASP  33           HN       ASP  33 -22.621  -9.955 -14.468
   29    HA   ASP  33           HA       ASP  33 -25.204 -10.668 -13.324
   30    HB2  ASP  33           HB2      ASP  33 -22.612 -12.194 -13.577
   31    HB3  ASP  33           HB3      ASP  33 -24.003 -12.810 -12.693
   32    H    VAL  34           HN       VAL  34 -21.858 -10.756 -12.148
   33    HA   VAL  34           HA       VAL  34 -22.871 -10.188  -9.452
   34    HB   VAL  34           HB       VAL  34 -20.157 -11.223 -10.300
   35   HG11  VAL  34          HG11      VAL  34 -21.367 -10.904  -7.554
   36   HG12  VAL  34          HG12      VAL  34 -19.823 -11.678  -7.908
   37   HG13  VAL  34          HG13      VAL  34 -20.040  -9.956  -8.227
   38   HG21  VAL  34          HG21      VAL  34 -20.900 -13.360  -9.349
   39   HG22  VAL  34          HG22      VAL  34 -22.497 -12.669  -9.059
   40   HG23  VAL  34          HG23      VAL  34 -21.905 -12.862 -10.710
   41    HA   PRO  35           HA       PRO  35 -21.185  -6.039 -10.238
   42    HB2  PRO  35           HB2      PRO  35 -22.406  -5.647  -7.563
   43    HB3  PRO  35           HB3      PRO  35 -22.610  -4.698  -9.041
   44    HG2  PRO  35           HG2      PRO  35 -24.563  -6.277  -8.202
   45    HG3  PRO  35           HG3      PRO  35 -24.166  -6.170  -9.928
   46    HD2  PRO  35           HD2      PRO  35 -23.404  -8.297  -7.948
   47    HD3  PRO  35           HD3      PRO  35 -24.034  -8.478  -9.603
   48    H    LEU  36           HN       LEU  36 -19.150  -5.634  -9.786
   49    HA   LEU  36           HA       LEU  36 -17.930  -7.018  -7.528
   50    HB2  LEU  36           HB2      LEU  36 -16.681  -5.650  -9.907
   51    HB3  LEU  36           HB3      LEU  36 -15.798  -6.518  -8.665
   52    HG   LEU  36           HG       LEU  36 -17.822  -7.732 -10.554
   53   HD11  LEU  36          HD11      LEU  36 -15.876  -8.873 -11.516
   54   HD12  LEU  36          HD12      LEU  36 -15.761  -7.122 -11.684
   55   HD13  LEU  36          HD13      LEU  36 -14.815  -7.952 -10.449
   56   HD21  LEU  36          HD21      LEU  36 -17.059  -9.874  -9.630
   57   HD22  LEU  36          HD22      LEU  36 -16.065  -9.009  -8.459
   58   HD23  LEU  36          HD23      LEU  36 -17.822  -8.862  -8.404
   59    H    LEU  37           HN       LEU  37 -19.481  -4.811  -6.892
   60    HA   LEU  37           HA       LEU  37 -17.402  -3.174  -5.626
   61    HB2  LEU  37           HB2      LEU  37 -18.997  -1.256  -5.609
   62    HB3  LEU  37           HB3      LEU  37 -18.419  -1.690  -7.203
   63    HG   LEU  37           HG       LEU  37 -21.068  -2.735  -6.259
   64   HD11  LEU  37          HD11      LEU  37 -22.151  -0.752  -7.179
   65   HD12  LEU  37          HD12      LEU  37 -21.119  -0.331  -5.814
   66   HD13  LEU  37          HD13      LEU  37 -20.576  -0.012  -7.461
   67   HD21  LEU  37          HD21      LEU  37 -20.108  -3.582  -8.352
   68   HD22  LEU  37          HD22      LEU  37 -21.573  -2.646  -8.645
   69   HD23  LEU  37          HD23      LEU  37 -19.992  -1.933  -8.962
   70    H    THR  38           HN       THR  38 -17.425  -4.464  -3.833
   71    HA   THR  38           HA       THR  38 -19.991  -4.733  -2.415
   72    HB   THR  38           HB       THR  38 -17.673  -6.642  -2.170
   73    HG1  THR  38           HG1      THR  38 -19.502  -6.357  -4.203
   74   HG21  THR  38          HG21      THR  38 -19.324  -6.704  -0.366
   75   HG22  THR  38          HG22      THR  38 -19.405  -8.171  -1.343
   76   HG23  THR  38          HG23      THR  38 -20.617  -6.906  -1.547
   77    HA   PRO  39           HA       PRO  39 -17.899  -2.471   0.870
   78    HB2  PRO  39           HB2      PRO  39 -20.529  -2.917   2.141
   79    HB3  PRO  39           HB3      PRO  39 -19.636  -1.413   1.890
   80    HG2  PRO  39           HG2      PRO  39 -21.796  -1.949   0.433
   81    HG3  PRO  39           HG3      PRO  39 -20.372  -1.180  -0.300
   82    HD2  PRO  39           HD2      PRO  39 -21.222  -4.065  -0.403
   83    HD3  PRO  39           HD3      PRO  39 -20.649  -3.014  -1.718
   84    H    SER  40           HN       SER  40 -17.229  -5.096   0.573
   85    HA   SER  40           HA       SER  40 -17.362  -5.992   3.359
   86    HB2  SER  40           HB2      SER  40 -17.511  -7.736   0.889
   87    HB3  SER  40           HB3      SER  40 -17.245  -8.352   2.520
   88    HG   SER  40           HG       SER  40 -19.481  -6.735   1.853
   89    H    SER  41           HN       SER  41 -15.563  -6.664   0.300
   90    HA   SER  41           HA       SER  41 -13.189  -7.063   1.913
   91    HB2  SER  41           HB2      SER  41 -12.168  -7.629  -0.355
   92    HB3  SER  41           HB3      SER  41 -13.476  -8.675   0.202
   93    HG   SER  41           HG       SER  41 -14.749  -7.956  -1.344
   94    H    LYS  42           HN       LYS  42 -13.769  -5.116  -1.065
   95    HA   LYS  42           HA       LYS  42 -11.255  -3.776  -0.452
   96    HB2  LYS  42           HB2      LYS  42 -11.713  -4.661  -2.745
   97    HB3  LYS  42           HB3      LYS  42 -12.936  -3.411  -2.926
   98    HG2  LYS  42           HG2      LYS  42 -11.394  -1.718  -3.053
   99    HG3  LYS  42           HG3      LYS  42 -10.150  -2.613  -2.159
  100    HD2  LYS  42           HD2      LYS  42 -10.136  -4.199  -4.179
  101    HD3  LYS  42           HD3      LYS  42 -11.044  -2.946  -5.024
  102    HE2  LYS  42           HE2      LYS  42  -8.406  -2.434  -3.674
  103    HE3  LYS  42           HE3      LYS  42  -8.538  -2.936  -5.357
  104    HZ1  LYS  42           HZ1      LYS  42  -9.693  -0.461  -4.177
  105    HZ2  LYS  42           HZ2      LYS  42  -9.865  -0.955  -5.793
  106    HZ3  LYS  42           HZ3      LYS  42  -8.334  -0.558  -5.190
  107    H    GLU  43           HN       GLU  43 -14.615  -3.111  -0.313
  108    HA   GLU  43           HA       GLU  43 -14.490  -0.297  -0.364
  109    HB2  GLU  43           HB2      GLU  43 -16.577  -1.652  -0.520
  110    HB3  GLU  43           HB3      GLU  43 -16.407  -2.034   1.187
  111    HG2  GLU  43           HG2      GLU  43 -18.038  -0.261   0.786
  112    HG3  GLU  43           HG3      GLU  43 -16.689   0.285   1.780
  113    H    MET  44           HN       MET  44 -13.590  -2.660   2.006
  114    HA   MET  44           HA       MET  44 -13.548  -0.941   4.259
  115    HB2  MET  44           HB2      MET  44 -11.913  -3.430   3.726
  116    HB3  MET  44           HB3      MET  44 -12.050  -2.625   5.283
  117    HG2  MET  44           HG2      MET  44 -14.149  -4.144   3.766
  118    HG3  MET  44           HG3      MET  44 -13.498  -4.471   5.367
  119    HE1  MET  44           HE1      MET  44 -15.745  -2.037   3.221
  120    HE2  MET  44           HE2      MET  44 -16.547  -3.549   3.649
  121    HE3  MET  44           HE3      MET  44 -17.133  -2.020   4.309
  122    H    MET  45           HN       MET  45 -10.977  -1.996   2.003
  123    HA   MET  45           HA       MET  45  -9.064  -0.201   3.095
  124    HB2  MET  45           HB2      MET  45  -7.659  -0.731   1.231
  125    HB3  MET  45           HB3      MET  45  -8.467  -2.213   1.734
  126    HG2  MET  45           HG2      MET  45 -10.144  -1.779  -0.093
  127    HG3  MET  45           HG3      MET  45  -9.076  -0.488  -0.648
  128    HE1  MET  45           HE1      MET  45  -5.945  -2.337  -1.875
  129    HE2  MET  45           HE2      MET  45  -6.773  -0.798  -1.632
  130    HE3  MET  45           HE3      MET  45  -6.153  -1.692  -0.245
  131    H    SER  46           HN       SER  46 -11.444   0.060   0.506
  132    HA   SER  46           HA       SER  46 -10.746   2.499  -0.560
  133    HB2  SER  46           HB2      SER  46 -12.649   1.067  -1.317
  134    HB3  SER  46           HB3      SER  46 -13.574   1.609   0.082
  135    HG   SER  46           HG       SER  46 -14.154   2.941  -1.557
  136    H    GLN  47           HN       GLN  47 -12.807   1.920   2.292
  137    HA   GLN  47           HA       GLN  47 -12.837   4.707   2.926
  138    HB2  GLN  47           HB2      GLN  47 -14.059   4.051   4.961
  139    HB3  GLN  47           HB3      GLN  47 -14.761   3.358   3.508
  140    HG2  GLN  47           HG2      GLN  47 -13.594   1.232   4.022
  141    HG3  GLN  47           HG3      GLN  47 -13.050   1.948   5.538
  142   HE21  GLN  47          HE21      GLN  47 -14.141   0.429   6.777
  143   HE22  GLN  47          HE22      GLN  47 -15.874   0.446   6.939
  144    H    ALA  48           HN       ALA  48 -11.107   1.889   4.288
  145    HA   ALA  48           HA       ALA  48 -10.013   3.484   6.422
  146    HB1  ALA  48           HB1      ALA  48  -8.891   1.475   7.133
  147    HB2  ALA  48           HB2      ALA  48 -10.564   1.086   6.721
  148    HB3  ALA  48           HB3      ALA  48  -9.260   0.683   5.600
  149    H    LEU  49           HN       LEU  49  -8.701   1.920   3.476
  150    HA   LEU  49           HA       LEU  49  -6.024   2.479   4.300
  151    HB2  LEU  49           HB2      LEU  49  -6.568   0.425   3.140
  152    HB3  LEU  49           HB3      LEU  49  -7.212   1.308   1.764
  153    HG   LEU  49           HG       LEU  49  -4.984   2.149   1.293
  154   HD11  LEU  49          HD11      LEU  49  -3.017   1.413   2.431
  155   HD12  LEU  49          HD12      LEU  49  -4.120   2.068   3.640
  156   HD13  LEU  49          HD13      LEU  49  -3.956   0.322   3.445
  157   HD21  LEU  49          HD21      LEU  49  -4.026   0.083   0.509
  158   HD22  LEU  49          HD22      LEU  49  -5.103  -0.814   1.580
  159   HD23  LEU  49          HD23      LEU  49  -5.773   0.132   0.251
  160    H    LYS  50           HN       LYS  50  -8.201   3.591   1.711
  161    HA   LYS  50           HA       LYS  50  -6.454   5.455   0.618
  162    HB2  LYS  50           HB2      LYS  50  -9.463   5.691   0.716
  163    HB3  LYS  50           HB3      LYS  50  -8.382   6.428  -0.461
  164    HG2  LYS  50           HG2      LYS  50  -8.912   3.490  -0.093
  165    HG3  LYS  50           HG3      LYS  50  -9.447   4.507  -1.431
  166    HD2  LYS  50           HD2      LYS  50  -6.532   4.120  -0.755
  167    HD3  LYS  50           HD3      LYS  50  -7.396   3.065  -1.875
  168    HE2  LYS  50           HE2      LYS  50  -7.429   6.038  -2.233
  169    HE3  LYS  50           HE3      LYS  50  -6.062   5.078  -2.799
  170    HZ1  LYS  50           HZ1      LYS  50  -7.722   5.414  -4.541
  171    HZ2  LYS  50           HZ2      LYS  50  -8.896   4.649  -3.589
  172    HZ3  LYS  50           HZ3      LYS  50  -7.555   3.772  -4.151
  173    H    ALA  51           HN       ALA  51  -8.605   5.730   3.359
  174    HA   ALA  51           HA       ALA  51  -8.277   8.590   3.618
  175    HB1  ALA  51           HB1      ALA  51  -9.477   6.641   5.573
  176    HB2  ALA  51           HB2      ALA  51  -9.599   8.400   5.636
  177    HB3  ALA  51           HB3      ALA  51 -10.359   7.510   4.315
  178    H    THR  52           HN       THR  52  -6.809   5.727   4.959
  179    HA   THR  52           HA       THR  52  -5.693   6.985   7.254
  180    HB   THR  52           HB       THR  52  -6.242   4.525   7.032
  181    HG1  THR  52           HG1      THR  52  -4.307   3.924   8.243
  182   HG21  THR  52          HG21      THR  52  -3.595   4.450   5.575
  183   HG22  THR  52          HG22      THR  52  -5.170   4.148   4.840
  184   HG23  THR  52          HG23      THR  52  -4.550   3.055   6.080
  185    H    PHE  53           HN       PHE  53  -4.817   7.249   4.064
  186    HA   PHE  53           HA       PHE  53  -2.100   6.590   4.092
  187    HB2  PHE  53           HB2      PHE  53  -3.658   8.420   2.281
  188    HB3  PHE  53           HB3      PHE  53  -1.951   8.069   2.034
  189    HD1  PHE  53           HD2      PHE  53  -1.950   5.191   2.818
  190    HD2  PHE  53           HD1      PHE  53  -4.620   7.440   0.396
  191    HE1  PHE  53           HE2      PHE  53  -2.545   3.150   1.586
  192    HE2  PHE  53           HE1      PHE  53  -5.226   5.399  -0.834
  193    HZ   PHE  53           HZ       PHE  53  -4.186   3.252  -0.243
  194    H    SER  54           HN       SER  54  -3.673   9.382   5.300
  195    HA   SER  54           HA       SER  54  -1.604  11.257   5.177
  196    HB2  SER  54           HB2      SER  54  -2.785  12.136   7.312
  197    HB3  SER  54           HB3      SER  54  -3.697  12.093   5.803
  198    HG   SER  54           HG       SER  54  -3.794  10.208   7.933
  199    H    GLY  55           HN       GLY  55  -2.009   8.434   7.166
  200    HA2  GLY  55           HA1      GLY  55  -0.367   9.050   9.326
  201    HA3  GLY  55           HA2      GLY  55  -0.626   7.437   8.680
  202    H    PHE  56           HN       PHE  56   0.666   7.114   6.495
  203    HA   PHE  56           HA       PHE  56   3.393   7.283   7.416
  204    HB2  PHE  56           HB2      PHE  56   2.633   5.190   6.417
  205    HB3  PHE  56           HB3      PHE  56   2.274   6.022   4.907
  206    HD1  PHE  56           HD1      PHE  56   5.004   5.008   7.176
  207    HD2  PHE  56           HD2      PHE  56   3.961   6.435   3.304
  208    HE1  PHE  56           HE1      PHE  56   7.308   4.614   6.413
  209    HE2  PHE  56           HE2      PHE  56   6.265   6.045   2.536
  210    HZ   PHE  56           HZ       PHE  56   7.942   5.132   4.091
  211    H    THR  57           HN       THR  57   1.587   8.434   4.621
  212    HA   THR  57           HA       THR  57   3.748   9.393   3.120
  213    HB   THR  57           HB       THR  57   1.026  10.666   3.157
  214    HG1  THR  57           HG1      THR  57   0.343   9.015   1.784
  215   HG21  THR  57          HG21      THR  57   1.470  10.980   0.758
  216   HG22  THR  57          HG22      THR  57   3.048  10.218   0.956
  217   HG23  THR  57          HG23      THR  57   2.703  11.752   1.753
  218    H    LYS  58           HN       LYS  58   2.226  10.652   5.923
  219    HA   LYS  58           HA       LYS  58   3.093  13.395   5.548
  220    HB2  LYS  58           HB2      LYS  58   1.018  12.926   6.782
  221    HB3  LYS  58           HB3      LYS  58   1.940  12.042   7.989
  222    HG2  LYS  58           HG2      LYS  58   3.122  14.071   8.605
  223    HG3  LYS  58           HG3      LYS  58   2.251  14.971   7.361
  224    HD2  LYS  58           HD2      LYS  58   1.160  15.428   9.411
  225    HD3  LYS  58           HD3      LYS  58   0.126  14.305   8.531
  226    HE2  LYS  58           HE2      LYS  58   2.121  13.350  10.561
  227    HE3  LYS  58           HE3      LYS  58   0.514  13.891  11.036
  228    HZ1  LYS  58           HZ1      LYS  58  -0.492  12.139   9.896
  229    HZ2  LYS  58           HZ2      LYS  58   0.861  11.419  10.622
  230    HZ3  LYS  58           HZ3      LYS  58   0.888  11.805   8.976
  231    H    GLU  59           HN       GLU  59   4.003  10.553   7.457
  232    HA   GLU  59           HA       GLU  59   6.141  12.046   8.743
  233    HB2  GLU  59           HB2      GLU  59   5.740  10.659  10.430
  234    HB3  GLU  59           HB3      GLU  59   4.603   9.732   9.446
  235    HG2  GLU  59           HG2      GLU  59   6.196   8.185   8.850
  236    HG3  GLU  59           HG3      GLU  59   7.542   9.268   9.231
  237    H    GLN  60           HN       GLN  60   5.617   9.886   6.147
  238    HA   GLN  60           HA       GLN  60   8.092   8.882   5.504
  239    HB2  GLN  60           HB2      GLN  60   6.081   8.468   4.185
  240    HB3  GLN  60           HB3      GLN  60   6.009  10.156   3.713
  241    HG2  GLN  60           HG2      GLN  60   8.175   9.844   2.545
  242    HG3  GLN  60           HG3      GLN  60   8.045   8.115   2.896
  243   HE21  GLN  60          HE21      GLN  60   7.979   7.713   0.658
  244   HE22  GLN  60          HE22      GLN  60   6.542   7.971  -0.255
  245    H    GLN  61           HN       GLN  61   6.743  12.021   4.669
  246    HA   GLN  61           HA       GLN  61   9.016  13.136   3.445
  247    HB2  GLN  61           HB2      GLN  61   6.765  14.462   4.968
  248    HB3  GLN  61           HB3      GLN  61   7.895  15.301   3.907
  249    HG2  GLN  61           HG2      GLN  61   5.909  13.186   3.088
  250    HG3  GLN  61           HG3      GLN  61   5.792  14.918   2.774
  251   HE21  GLN  61          HE21      GLN  61   7.395  11.953   1.929
  252   HE22  GLN  61          HE22      GLN  61   8.136  12.531   0.481
  253    H    ARG  62           HN       ARG  62   8.009  12.857   6.766
  254    HA   ARG  62           HA       ARG  62   9.811  14.782   7.863
  255    HB2  ARG  62           HB2      ARG  62   7.632  14.114   8.877
  256    HB3  ARG  62           HB3      ARG  62   8.318  12.533   9.223
  257    HG2  ARG  62           HG2      ARG  62   8.386  13.803  11.218
  258    HG3  ARG  62           HG3      ARG  62  10.045  13.667  10.621
  259    HD2  ARG  62           HD2      ARG  62   9.592  15.929   9.474
  260    HD3  ARG  62           HD3      ARG  62   8.210  16.043  10.560
  261    HE   ARG  62           HE       ARG  62  10.750  15.481  11.842
  262   HH11  ARG  62          HH12      ARG  62   8.436  17.921  10.853
  263   HH12  ARG  62          HH11      ARG  62   9.089  19.150  11.898
  264   HH21  ARG  62          HH22      ARG  62  11.608  17.095  13.226
  265   HH22  ARG  62          HH21      ARG  62  10.860  18.667  13.269
  266    H    LEU  63           HN       LEU  63   9.719  11.248   7.707
  267    HA   LEU  63           HA       LEU  63  12.209  10.839   9.018
  268    HB2  LEU  63           HB2      LEU  63  10.601   9.001   7.275
  269    HB3  LEU  63           HB3      LEU  63  11.975   8.513   8.249
  270    HG   LEU  63           HG       LEU  63   9.384   9.624   9.329
  271   HD11  LEU  63          HD11      LEU  63   8.941   7.387  10.106
  272   HD12  LEU  63          HD12      LEU  63   9.161   7.378   8.356
  273   HD13  LEU  63          HD13      LEU  63  10.458   6.811   9.409
  274   HD21  LEU  63          HD21      LEU  63  11.290  10.178  10.739
  275   HD22  LEU  63          HD22      LEU  63  10.275   8.959  11.510
  276   HD23  LEU  63          HD23      LEU  63  11.792   8.488  10.744
  277    H    GLY  64           HN       GLY  64  11.820  12.391   6.336
  278    HA2  GLY  64           HA1      GLY  64  13.198  12.873   4.568
  279    HA3  GLY  64           HA2      GLY  64  14.433  11.899   5.362
  280    H    ILE  65           HN       ILE  65  11.410  10.365   4.862
  281    HA   ILE  65           HA       ILE  65  12.649   8.611   2.978
  282    HB   ILE  65           HB       ILE  65   9.795   8.540   3.969
  283   HG12  ILE  65          HG12      ILE  65  12.260   7.026   4.842
  284   HG13  ILE  65          HG13      ILE  65  11.259   8.094   5.820
  285   HG21  ILE  65          HG21      ILE  65   9.787   6.239   3.050
  286   HG22  ILE  65          HG22      ILE  65  10.013   7.464   1.802
  287   HG23  ILE  65          HG23      ILE  65  11.391   6.524   2.373
  288   HD11  ILE  65          HD11      ILE  65  10.832   5.776   6.371
  289   HD12  ILE  65          HD12      ILE  65   9.403   6.505   5.635
  290   HD13  ILE  65          HD13      ILE  65  10.432   5.426   4.686
  291    HA   PRO  66           HA       PRO  66  11.391  11.201  -0.391
  292    HB2  PRO  66           HB2      PRO  66  11.771   8.785  -2.007
  293    HB3  PRO  66           HB3      PRO  66  12.586  10.345  -2.115
  294    HG2  PRO  66           HG2      PRO  66  13.779   8.085  -1.165
  295    HG3  PRO  66           HG3      PRO  66  14.240   9.721  -0.654
  296    HD2  PRO  66           HD2      PRO  66  12.692   7.643   0.760
  297    HD3  PRO  66           HD3      PRO  66  13.711   8.938   1.415
  298    H    LYS  67           HN       LYS  67   9.477  11.586  -1.237
  299    HA   LYS  67           HA       LYS  67   7.170  10.185  -0.557
  300    HB2  LYS  67           HB2      LYS  67   6.067  11.669  -2.240
  301    HB3  LYS  67           HB3      LYS  67   7.139  12.536  -1.141
  302    HG2  LYS  67           HG2      LYS  67   8.920  12.337  -2.915
  303    HG3  LYS  67           HG3      LYS  67   7.653  11.773  -4.002
  304    HD2  LYS  67           HD2      LYS  67   6.494  13.853  -3.841
  305    HD3  LYS  67           HD3      LYS  67   7.547  14.401  -2.530
  306    HE2  LYS  67           HE2      LYS  67   9.464  14.337  -4.071
  307    HE3  LYS  67           HE3      LYS  67   8.386  13.841  -5.373
  308    HZ1  LYS  67           HZ1      LYS  67   8.895  16.231  -5.383
  309    HZ2  LYS  67           HZ2      LYS  67   8.139  16.393  -3.872
  310    HZ3  LYS  67           HZ3      LYS  67   7.236  15.922  -5.227
  311    H    ASP  68           HN       ASP  68   9.310   9.676  -3.242
  312    HA   ASP  68           HA       ASP  68   7.342   8.368  -4.924
  313    HB2  ASP  68           HB2      ASP  68   9.089   9.806  -5.878
  314    HB3  ASP  68           HB3      ASP  68  10.334   8.799  -5.155
  315    HA   PRO  69           HA       PRO  69   8.819   4.360  -3.453
  316    HB2  PRO  69           HB2      PRO  69   7.209   2.775  -4.785
  317    HB3  PRO  69           HB3      PRO  69   6.528   3.995  -3.700
  318    HG2  PRO  69           HG2      PRO  69   6.696   3.987  -6.680
  319    HG3  PRO  69           HG3      PRO  69   5.408   4.604  -5.630
  320    HD2  PRO  69           HD2      PRO  69   7.536   6.102  -6.795
  321    HD3  PRO  69           HD3      PRO  69   6.359   6.677  -5.596
  322    H    ARG  70           HN       ARG  70   9.822   5.529  -6.404
  323    HA   ARG  70           HA       ARG  70  10.722   2.958  -7.501
  324    HB2  ARG  70           HB2      ARG  70  10.569   5.747  -8.577
  325    HB3  ARG  70           HB3      ARG  70  11.641   4.582  -9.333
  326    HG2  ARG  70           HG2      ARG  70   9.607   4.641 -10.547
  327    HG3  ARG  70           HG3      ARG  70   9.693   3.103  -9.693
  328    HD2  ARG  70           HD2      ARG  70   7.876   3.551  -8.452
  329    HD3  ARG  70           HD3      ARG  70   8.336   5.247  -8.216
  330    HE   ARG  70           HE       ARG  70   7.350   5.761 -10.339
  331   HH11  ARG  70          HH12      ARG  70   6.687   2.517  -9.193
  332   HH12  ARG  70          HH11      ARG  70   5.327   2.295 -10.238
  333   HH21  ARG  70          HH22      ARG  70   5.578   5.479 -11.704
  334   HH22  ARG  70          HH21      ARG  70   4.675   3.996 -11.658
  335    H    GLN  71           HN       GLN  71  11.953   4.801  -5.209
  336    HA   GLN  71           HA       GLN  71  14.725   4.397  -5.999
  337    HB2  GLN  71           HB2      GLN  71  15.288   6.795  -5.341
  338    HB3  GLN  71           HB3      GLN  71  14.502   6.567  -6.889
  339    HG2  GLN  71           HG2      GLN  71  13.797   8.477  -5.233
  340    HG3  GLN  71           HG3      GLN  71  12.616   7.651  -6.247
  341   HE21  GLN  71          HE21      GLN  71  11.105   6.368  -5.323
  342   HE22  GLN  71          HE22      GLN  71  10.859   6.272  -3.606
  343    H    TRP  72           HN       TRP  72  12.667   3.676  -3.846
  344    HA   TRP  72           HA       TRP  72  13.680   4.653  -1.396
  345    HB2  TRP  72           HB2      TRP  72  11.710   2.605  -2.341
  346    HB3  TRP  72           HB3      TRP  72  12.292   2.473  -0.682
  347    HD1  TRP  72           HD1      TRP  72  12.274   5.985  -0.908
  348    HE1  TRP  72           HE1      TRP  72  10.011   7.013  -0.239
  349    HE3  TRP  72           HE3      TRP  72   9.371   1.810  -1.232
  350    HZ2  TRP  72           HZ2      TRP  72   7.333   6.141   0.113
  351    HZ3  TRP  72           HZ3      TRP  72   6.981   1.985  -0.717
  352    HH2  TRP  72           HH2      TRP  72   5.983   4.102  -0.062
  353    H    THR  73           HN       THR  73  14.832   3.438   0.216
  354    HA   THR  73           HA       THR  73  16.518   1.315  -0.699
  355    HB   THR  73           HB       THR  73  17.244   1.235   1.678
  356    HG1  THR  73           HG1      THR  73  16.303   2.890   3.079
  357   HG21  THR  73          HG21      THR  73  17.060   4.048   0.588
  358   HG22  THR  73          HG22      THR  73  18.279   2.855   0.134
  359   HG23  THR  73          HG23      THR  73  18.219   3.470   1.786
  360    H    GLU  74           HN       GLU  74  16.526  -0.798   0.621
  361    HA   GLU  74           HA       GLU  74  14.042  -2.080   0.511
  362    HB2  GLU  74           HB2      GLU  74  15.133  -3.821   1.970
  363    HB3  GLU  74           HB3      GLU  74  16.016  -3.415   0.505
  364    HG2  GLU  74           HG2      GLU  74  17.582  -2.102   1.726
  365    HG3  GLU  74           HG3      GLU  74  16.628  -2.238   3.202
  366    H    THR  75           HN       THR  75  15.488  -0.111   2.965
  367    HA   THR  75           HA       THR  75  13.789  -0.941   5.112
  368    HB   THR  75           HB       THR  75  15.341   1.640   4.965
  369    HG1  THR  75           HG1      THR  75  17.130   0.436   5.739
  370   HG21  THR  75          HG21      THR  75  15.534   1.319   7.382
  371   HG22  THR  75          HG22      THR  75  14.634  -0.192   7.263
  372   HG23  THR  75          HG23      THR  75  13.843   1.340   6.889
  373    H    HIS  76           HN       HIS  76  13.755   1.614   2.671
  374    HA   HIS  76           HA       HIS  76  11.707   3.142   3.996
  375    HB2  HIS  76           HB2      HIS  76  12.929   3.336   1.234
  376    HB3  HIS  76           HB3      HIS  76  11.597   4.366   1.742
  377    HD1  HIS  76           HD1      HIS  76  14.580   5.303   1.026
  378    HD2  HIS  76           HD2      HIS  76  12.916   4.909   4.811
  379    HE1  HIS  76           HE1      HIS  76  15.919   6.823   2.506
  380    HE2  HIS  76           HE2      HIS  76  15.028   6.409   4.836
  381    H    VAL  77           HN       VAL  77  11.863   0.755   1.428
  382    HA   VAL  77           HA       VAL  77   9.177   0.894   0.619
  383    HB   VAL  77           HB       VAL  77  11.222  -1.322   0.413
  384   HG11  VAL  77          HG11      VAL  77   9.714  -2.419  -1.162
  385   HG12  VAL  77          HG12      VAL  77   8.987  -2.302   0.439
  386   HG13  VAL  77          HG13      VAL  77   8.482  -1.199  -0.841
  387   HG21  VAL  77          HG21      VAL  77  11.283  -0.675  -1.960
  388   HG22  VAL  77          HG22      VAL  77  10.110   0.602  -1.637
  389   HG23  VAL  77          HG23      VAL  77  11.711   0.676  -0.908
  390    H    ARG  78           HN       ARG  78  10.915  -1.300   2.832
  391    HA   ARG  78           HA       ARG  78   8.658  -2.786   3.594
  392    HB2  ARG  78           HB2      ARG  78  11.386  -2.408   4.737
  393    HB3  ARG  78           HB3      ARG  78  10.160  -3.210   5.711
  394    HG2  ARG  78           HG2      ARG  78   9.813  -4.835   3.892
  395    HG3  ARG  78           HG3      ARG  78  11.107  -4.053   2.980
  396    HD2  ARG  78           HD2      ARG  78  11.495  -5.162   5.750
  397    HD3  ARG  78           HD3      ARG  78  11.740  -6.126   4.294
  398    HE   ARG  78           HE       ARG  78  13.352  -4.187   3.712
  399   HH11  ARG  78          HH12      ARG  78  12.758  -5.348   6.960
  400   HH12  ARG  78          HH11      ARG  78  14.413  -5.148   7.465
  401   HH21  ARG  78          HH22      ARG  78  15.541  -3.922   4.398
  402   HH22  ARG  78          HH21      ARG  78  15.970  -4.333   6.029
  403    H    ASP  79           HN       ASP  79   9.931   0.244   4.798
  404    HA   ASP  79           HA       ASP  79   8.506   0.427   7.208
  405    HB2  ASP  79           HB2      ASP  79  10.250   2.062   5.924
  406    HB3  ASP  79           HB3      ASP  79   8.734   2.904   5.585
  407    H    TRP  80           HN       TRP  80   7.717   1.421   3.915
  408    HA   TRP  80           HA       TRP  80   5.116   2.406   4.585
  409    HB2  TRP  80           HB2      TRP  80   6.012   3.484   2.756
  410    HB3  TRP  80           HB3      TRP  80   6.824   2.039   2.170
  411    HD1  TRP  80           HD1      TRP  80   3.499   3.888   1.968
  412    HE1  TRP  80           HE1      TRP  80   2.189   2.918  -0.019
  413    HE3  TRP  80           HE3      TRP  80   6.494  -0.084   0.866
  414    HZ2  TRP  80           HZ2      TRP  80   2.389   0.766  -1.824
  415    HZ3  TRP  80           HZ3      TRP  80   5.873  -1.556  -0.993
  416    HH2  TRP  80           HH2      TRP  80   3.858  -1.147  -2.305
  417    H    VAL  81           HN       VAL  81   6.574  -0.532   3.546
  418    HA   VAL  81           HA       VAL  81   4.363  -1.929   2.526
  419    HB   VAL  81           HB       VAL  81   7.081  -2.611   3.527
  420   HG11  VAL  81          HG11      VAL  81   6.737  -5.005   3.344
  421   HG12  VAL  81          HG12      VAL  81   5.756  -4.324   4.642
  422   HG13  VAL  81          HG13      VAL  81   5.007  -4.750   3.103
  423   HG21  VAL  81          HG21      VAL  81   7.205  -3.760   1.351
  424   HG22  VAL  81          HG22      VAL  81   5.531  -3.298   1.042
  425   HG23  VAL  81          HG23      VAL  81   6.772  -2.054   1.207
  426    H    MET  82           HN       MET  82   5.923  -2.154   5.703
  427    HA   MET  82           HA       MET  82   3.770  -3.645   6.799
  428    HB2  MET  82           HB2      MET  82   4.872  -3.475   8.922
  429    HB3  MET  82           HB3      MET  82   6.052  -3.823   7.669
  430    HG2  MET  82           HG2      MET  82   6.661  -1.426   7.634
  431    HG3  MET  82           HG3      MET  82   5.561  -1.168   8.986
  432    HE1  MET  82           HE1      MET  82   7.250  -3.533  11.696
  433    HE2  MET  82           HE2      MET  82   5.844  -2.533  11.331
  434    HE3  MET  82           HE3      MET  82   6.092  -4.054  10.472
  435    H    TRP  83           HN       TRP  83   4.081  -0.272   6.212
  436    HA   TRP  83           HA       TRP  83   2.583   0.590   8.477
  437    HB2  TRP  83           HB2      TRP  83   3.944   2.201   7.253
  438    HB3  TRP  83           HB3      TRP  83   2.992   1.947   5.793
  439    HD1  TRP  83           HD1      TRP  83   2.811   3.636   9.222
  440    HE1  TRP  83           HE1      TRP  83   0.865   5.315   9.193
  441    HE3  TRP  83           HE3      TRP  83   0.797   2.442   4.690
  442    HZ2  TRP  83           HZ2      TRP  83  -1.248   6.037   7.456
  443    HZ3  TRP  83           HZ3      TRP  83  -1.180   3.671   3.914
  444    HH2  TRP  83           HH2      TRP  83  -2.174   5.429   5.267
  445    H    ALA  84           HN       ALA  84   1.484   0.296   5.043
  446    HA   ALA  84           HA       ALA  84  -1.223   0.775   5.716
  447    HB1  ALA  84           HB1      ALA  84  -0.191  -0.845   3.379
  448    HB2  ALA  84           HB2      ALA  84  -1.809  -0.152   3.544
  449    HB3  ALA  84           HB3      ALA  84  -0.402   0.907   3.397
  450    H    VAL  85           HN       VAL  85   0.731  -2.073   5.514
  451    HA   VAL  85           HA       VAL  85  -1.090  -4.068   6.132
  452    HB   VAL  85           HB       VAL  85   1.856  -3.662   6.499
  453   HG11  VAL  85          HG11      VAL  85   0.917  -4.973   8.501
  454   HG12  VAL  85          HG12      VAL  85   0.592  -6.250   7.333
  455   HG13  VAL  85          HG13      VAL  85   2.244  -5.694   7.589
  456   HG21  VAL  85          HG21      VAL  85   1.966  -5.569   4.980
  457   HG22  VAL  85          HG22      VAL  85   0.205  -5.683   5.005
  458   HG23  VAL  85          HG23      VAL  85   0.988  -4.256   4.326
  459    H    ASN  86           HN       ASN  86   0.858  -2.073   8.440
  460    HA   ASN  86           HA       ASN  86  -0.283  -3.476  10.626
  461    HB2  ASN  86           HB2      ASN  86   1.198  -2.450  11.985
  462    HB3  ASN  86           HB3      ASN  86   2.004  -2.198  10.448
  463   HD21  ASN  86          HD21      ASN  86   0.248  -0.096   9.569
  464   HD22  ASN  86          HD22      ASN  86   0.596   1.299  10.554
  465    H    GLU  87           HN       GLU  87  -1.390  -0.767   8.836
  466    HA   GLU  87           HA       GLU  87  -2.948   0.391  10.970
  467    HB2  GLU  87           HB2      GLU  87  -3.272   0.699   7.969
  468    HB3  GLU  87           HB3      GLU  87  -4.027   1.702   9.197
  469    HG2  GLU  87           HG2      GLU  87  -1.067   1.501   8.719
  470    HG3  GLU  87           HG3      GLU  87  -2.111   2.780   8.102
  471    H    PHE  88           HN       PHE  88  -3.295  -1.837   8.338
  472    HA   PHE  88           HA       PHE  88  -6.050  -2.500   8.887
  473    HB2  PHE  88           HB2      PHE  88  -3.930  -3.377   6.977
  474    HB3  PHE  88           HB3      PHE  88  -5.284  -4.474   7.294
  475    HD1  PHE  88           HD1      PHE  88  -7.603  -3.742   6.869
  476    HD2  PHE  88           HD2      PHE  88  -4.241  -1.429   5.677
  477    HE1  PHE  88           HE1      PHE  88  -9.044  -2.447   5.354
  478    HE2  PHE  88           HE2      PHE  88  -5.671  -0.132   4.163
  479    HZ   PHE  88           HZ       PHE  88  -8.075  -0.637   3.999
  480    H    SER  89           HN       SER  89  -3.401  -2.999  10.606
  481    HA   SER  89           HA       SER  89  -2.492  -4.555  11.976
  482    HB2  SER  89           HB2      SER  89  -5.388  -5.400  12.213
  483    HB3  SER  89           HB3      SER  89  -4.110  -5.758  13.375
  484    HG   SER  89           HG       SER  89  -5.405  -3.336  12.822
  485    H    LEU  90           HN       LEU  90  -2.229  -5.334   9.297
  486    HA   LEU  90           HA       LEU  90  -3.173  -8.029   8.945
  487    HB2  LEU  90           HB2      LEU  90  -0.956  -6.637   7.441
  488    HB3  LEU  90           HB3      LEU  90  -1.950  -7.971   6.879
  489    HG   LEU  90           HG       LEU  90  -2.890  -5.128   7.362
  490   HD11  LEU  90          HD11      LEU  90  -1.482  -5.361   5.384
  491   HD12  LEU  90          HD12      LEU  90  -2.481  -6.696   4.813
  492   HD13  LEU  90          HD13      LEU  90  -3.163  -5.074   4.931
  493   HD21  LEU  90          HD21      LEU  90  -4.632  -6.790   7.847
  494   HD22  LEU  90          HD22      LEU  90  -4.996  -5.907   6.364
  495   HD23  LEU  90          HD23      LEU  90  -4.360  -7.549   6.278
  496    H    LYS  91           HN       LYS  91  -0.109  -6.439   9.550
  497    HA   LYS  91           HA       LYS  91   1.918  -7.197  10.237
  498    HB2  LYS  91           HB2      LYS  91   0.013  -8.060  12.401
  499    HB3  LYS  91           HB3      LYS  91   1.760  -7.980  12.604
  500    HG2  LYS  91           HG2      LYS  91   1.753  -5.612  12.165
  501    HG3  LYS  91           HG3      LYS  91   0.027  -5.647  11.811
  502    HD2  LYS  91           HD2      LYS  91   1.235  -6.375  14.478
  503    HD3  LYS  91           HD3      LYS  91   0.592  -4.781  14.080
  504    HE2  LYS  91           HE2      LYS  91  -1.584  -5.941  13.529
  505    HE3  LYS  91           HE3      LYS  91  -0.894  -7.390  14.264
  506    HZ1  LYS  91           HZ1      LYS  91  -0.578  -6.106  16.322
  507    HZ2  LYS  91           HZ2      LYS  91  -2.211  -6.207  15.870
  508    HZ3  LYS  91           HZ3      LYS  91  -1.345  -4.776  15.600
  509    H    GLY  92           HN       GLY  92   1.010  -9.100   8.357
  510    HA2  GLY  92           HA1      GLY  92   2.493 -11.397   9.373
  511    HA3  GLY  92           HA2      GLY  92   0.924 -11.655   8.610
  512    H    VAL  93           HN       VAL  93   3.421  -9.335   7.853
  513    HA   VAL  93           HA       VAL  93   3.366 -10.153   5.062
  514    HB   VAL  93           HB       VAL  93   3.696  -7.627   6.444
  515   HG11  VAL  93          HG11      VAL  93   6.094  -7.981   5.971
  516   HG12  VAL  93          HG12      VAL  93   5.700  -8.190   4.263
  517   HG13  VAL  93          HG13      VAL  93   5.409  -6.638   5.054
  518   HG21  VAL  93          HG21      VAL  93   3.069  -6.756   4.265
  519   HG22  VAL  93          HG22      VAL  93   3.354  -8.341   3.540
  520   HG23  VAL  93          HG23      VAL  93   2.045  -8.123   4.709
  521    H    ASP  94           HN       ASP  94   5.055 -11.110   4.076
  522    HA   ASP  94           HA       ASP  94   7.233 -11.962   5.784
  523    HB2  ASP  94           HB2      ASP  94   6.149 -13.502   4.094
  524    HB3  ASP  94           HB3      ASP  94   6.861 -12.508   2.827
  525    H    PHE  95           HN       PHE  95   8.584 -10.344   6.195
  526    HA   PHE  95           HA       PHE  95   8.918  -8.103   4.547
  527    HB2  PHE  95           HB2      PHE  95  10.737  -9.127   6.740
  528    HB3  PHE  95           HB3      PHE  95  10.805  -7.516   6.033
  529    HD1  PHE  95           HD1      PHE  95   8.842  -5.977   6.330
  530    HD2  PHE  95           HD2      PHE  95   9.239  -9.634   8.469
  531    HE1  PHE  95           HE1      PHE  95   7.200  -5.184   7.981
  532    HE2  PHE  95           HE2      PHE  95   7.597  -8.847  10.123
  533    HZ   PHE  95           HZ       PHE  95   6.565  -6.613   9.869
  534    H    GLN  96           HN       GLN  96  10.346 -11.199   4.491
  535    HA   GLN  96           HA       GLN  96  12.739 -10.469   3.075
  536    HB2  GLN  96           HB2      GLN  96  11.400 -13.136   3.519
  537    HB3  GLN  96           HB3      GLN  96  12.934 -12.945   2.688
  538    HG2  GLN  96           HG2      GLN  96  12.329 -12.297   5.564
  539    HG3  GLN  96           HG3      GLN  96  13.334 -13.610   4.955
  540   HE21  GLN  96          HE21      GLN  96  14.582 -11.913   2.904
  541   HE22  GLN  96          HE22      GLN  96  15.684 -10.881   3.747
  542    H    LYS  97           HN       LYS  97   9.520 -11.611   2.232
  543    HA   LYS  97           HA       LYS  97  10.110 -11.850  -0.563
  544    HB2  LYS  97           HB2      LYS  97   8.039 -12.691   1.030
  545    HB3  LYS  97           HB3      LYS  97   7.317 -11.303   0.229
  546    HG2  LYS  97           HG2      LYS  97   8.575 -13.667  -1.148
  547    HG3  LYS  97           HG3      LYS  97   6.846 -13.384  -0.951
  548    HD2  LYS  97           HD2      LYS  97   6.983 -11.378  -2.310
  549    HD3  LYS  97           HD3      LYS  97   8.738 -11.557  -2.432
  550    HE2  LYS  97           HE2      LYS  97   6.659 -13.448  -3.531
  551    HE3  LYS  97           HE3      LYS  97   7.671 -12.347  -4.464
  552    HZ1  LYS  97           HZ1      LYS  97   9.622 -13.595  -3.525
  553    HZ2  LYS  97           HZ2      LYS  97   8.662 -14.471  -4.614
  554    HZ3  LYS  97           HZ3      LYS  97   8.524 -14.752  -2.947
  555    H    PHE  98           HN       PHE  98   9.229  -9.426   1.686
  556    HA   PHE  98           HA       PHE  98   8.483  -7.466  -0.317
  557    HB2  PHE  98           HB2      PHE  98   8.390  -7.629   2.645
  558    HB3  PHE  98           HB3      PHE  98   8.416  -6.038   1.888
  559    HD1  PHE  98           HD1      PHE  98   6.567  -5.320   0.440
  560    HD2  PHE  98           HD2      PHE  98   6.521  -9.060   2.461
  561    HE1  PHE  98           HE1      PHE  98   4.149  -5.510   0.042
  562    HE2  PHE  98           HE2      PHE  98   4.112  -9.268   2.052
  563    HZ   PHE  98           HZ       PHE  98   2.934  -7.399   0.758
  564    H    CYS  99           HN       CYS  99  11.296  -8.631   0.208
  565    HA   CYS  99           HA       CYS  99  12.872  -6.366   0.935
  566    HB2  CYS  99           HB2      CYS  99  13.422  -9.044  -0.268
  567    HB3  CYS  99           HB3      CYS  99  14.682  -7.816  -0.244
  568    HG   CYS  99           HG       CYS  99  15.154  -7.816   2.365
  569    H    MET 100           HN       MET 100  11.840  -4.818  -0.464
  570    HA   MET 100           HA       MET 100  13.003  -4.905  -3.159
  571    HB2  MET 100           HB2      MET 100  10.414  -3.708  -2.215
  572    HB3  MET 100           HB3      MET 100  11.212  -3.102  -3.656
  573    HG2  MET 100           HG2      MET 100   9.750  -4.589  -4.561
  574    HG3  MET 100           HG3      MET 100  11.193  -5.601  -4.366
  575    HE1  MET 100           HE1      MET 100   7.722  -4.620  -2.844
  576    HE2  MET 100           HE2      MET 100   7.624  -5.687  -1.441
  577    HE3  MET 100           HE3      MET 100   8.804  -4.378  -1.472
  578    H    SER 101           HN       SER 101  14.452  -3.406  -3.594
  579    HA   SER 101           HA       SER 101  14.587  -0.937  -2.094
  580    HB2  SER 101           HB2      SER 101  16.609  -1.882  -3.253
  581    HB3  SER 101           HB3      SER 101  15.794  -1.653  -4.799
  582    HG   SER 101           HG       SER 101  15.976   0.575  -3.132
  583    H    GLY 102           HN       GLY 102  13.893   1.134  -3.189
  584    HA2  GLY 102           HA1      GLY 102  11.276   1.059  -3.990
  585    HA3  GLY 102           HA2      GLY 102  12.369   2.365  -4.388
  586    H    ALA 103           HN       ALA 103  14.122   1.099  -6.183
  587    HA   ALA 103           HA       ALA 103  12.676   1.181  -8.559
  588    HB1  ALA 103           HB1      ALA 103  15.337  -0.133  -8.017
  589    HB2  ALA 103           HB2      ALA 103  14.695   0.261  -9.613
  590    HB3  ALA 103           HB3      ALA 103  15.081   1.551  -8.474
  591    H    ALA 104           HN       ALA 104  13.592  -1.513  -6.511
  592    HA   ALA 104           HA       ALA 104  12.533  -3.554  -8.182
  593    HB1  ALA 104           HB1      ALA 104  13.029  -3.582  -5.203
  594    HB2  ALA 104           HB2      ALA 104  12.755  -4.994  -6.227
  595    HB3  ALA 104           HB3      ALA 104  14.206  -4.014  -6.448
  596    H    LEU 105           HN       LEU 105  11.280  -1.903  -5.235
  597    HA   LEU 105           HA       LEU 105   8.805  -2.865  -5.007
  598    HB2  LEU 105           HB2      LEU 105   9.759  -1.051  -3.638
  599    HB3  LEU 105           HB3      LEU 105   9.515   0.072  -4.973
  600    HG   LEU 105           HG       LEU 105   7.076  -0.459  -4.859
  601   HD11  LEU 105          HD11      LEU 105   6.278  -1.442  -2.722
  602   HD12  LEU 105          HD12      LEU 105   7.142  -2.578  -3.762
  603   HD13  LEU 105          HD13      LEU 105   7.949  -1.878  -2.360
  604   HD21  LEU 105          HD21      LEU 105   8.252   0.677  -2.338
  605   HD22  LEU 105          HD22      LEU 105   8.033   1.558  -3.852
  606   HD23  LEU 105          HD23      LEU 105   6.626   0.961  -2.973
  607    H    CYS 106           HN       CYS 106   9.740  -0.330  -7.169
  608    HA   CYS 106           HA       CYS 106   7.313  -0.107  -8.518
  609    HB2  CYS 106           HB2      CYS 106   8.756   1.703  -8.693
  610    HB3  CYS 106           HB3      CYS 106  10.129   0.684  -9.129
  611    HG   CYS 106           HG       CYS 106   9.855   0.852 -11.693
  612    H    ALA 107           HN       ALA 107  10.307  -1.757  -9.551
  613    HA   ALA 107           HA       ALA 107   9.537  -2.587 -12.021
  614    HB1  ALA 107           HB1      ALA 107  11.253  -4.281 -11.869
  615    HB2  ALA 107           HB2      ALA 107  11.794  -2.778 -11.122
  616    HB3  ALA 107           HB3      ALA 107  11.275  -4.127 -10.112
  617    H    LEU 108           HN       LEU 108   8.596  -4.148  -8.977
  618    HA   LEU 108           HA       LEU 108   7.924  -6.625 -10.070
  619    HB2  LEU 108           HB2      LEU 108   6.305  -6.757  -8.056
  620    HB3  LEU 108           HB3      LEU 108   8.029  -6.704  -7.778
  621    HG   LEU 108           HG       LEU 108   7.762  -4.225  -7.311
  622   HD11  LEU 108          HD11      LEU 108   5.487  -3.534  -6.555
  623   HD12  LEU 108          HD12      LEU 108   5.638  -3.740  -8.300
  624   HD13  LEU 108          HD13      LEU 108   4.846  -4.985  -7.335
  625   HD21  LEU 108          HD21      LEU 108   6.396  -6.240  -5.545
  626   HD22  LEU 108          HD22      LEU 108   8.114  -5.839  -5.563
  627   HD23  LEU 108          HD23      LEU 108   6.932  -4.639  -5.036
  628    H    GLY 109           HN       GLY 109   5.971  -3.679  -9.849
  629    HA2  GLY 109           HA1      GLY 109   4.004  -3.137 -10.932
  630    HA3  GLY 109           HA2      GLY 109   4.182  -4.608 -11.883
  631    H    LYS 110           HN       LYS 110   1.695  -3.798 -10.966
  632    HA   LYS 110           HA       LYS 110   0.748  -4.700  -8.575
  633    HB2  LYS 110           HB2      LYS 110  -0.577  -3.656 -10.472
  634    HB3  LYS 110           HB3      LYS 110  -0.732  -5.286 -11.122
  635    HG2  LYS 110           HG2      LYS 110  -1.398  -5.306  -8.349
  636    HG3  LYS 110           HG3      LYS 110  -2.311  -4.037  -9.161
  637    HD2  LYS 110           HD2      LYS 110  -3.636  -5.964  -9.263
  638    HD3  LYS 110           HD3      LYS 110  -2.952  -5.762 -10.873
  639    HE2  LYS 110           HE2      LYS 110  -1.266  -7.485 -10.358
  640    HE3  LYS 110           HE3      LYS 110  -1.963  -7.692  -8.750
  641    HZ1  LYS 110           HZ1      LYS 110  -4.048  -8.374  -9.810
  642    HZ2  LYS 110           HZ2      LYS 110  -2.763  -9.395 -10.238
  643    HZ3  LYS 110           HZ3      LYS 110  -3.328  -8.236 -11.339
  644    H    GLU 111           HN       GLU 111   1.019  -6.683 -11.511
  645    HA   GLU 111           HA       GLU 111   0.038  -9.057 -10.633
  646    HB2  GLU 111           HB2      GLU 111   0.835  -8.605 -12.920
  647    HB3  GLU 111           HB3      GLU 111   2.495  -8.686 -12.350
  648    HG2  GLU 111           HG2      GLU 111   1.920 -11.054 -11.582
  649    HG3  GLU 111           HG3      GLU 111   0.492 -10.895 -12.607
  650    H    CYS 112           HN       CYS 112   3.459  -8.152 -10.437
  651    HA   CYS 112           HA       CYS 112   4.165 -10.507  -9.032
  652    HB2  CYS 112           HB2      CYS 112   5.736  -9.130 -10.436
  653    HB3  CYS 112           HB3      CYS 112   5.762  -7.950  -9.131
  654    HG   CYS 112           HG       CYS 112   7.154 -11.042  -9.244
  655    H    PHE 113           HN       PHE 113   3.707  -7.115  -7.952
  656    HA   PHE 113           HA       PHE 113   4.295  -7.453  -5.298
  657    HB2  PHE 113           HB2      PHE 113   3.570  -5.313  -6.602
  658    HB3  PHE 113           HB3      PHE 113   1.952  -5.740  -6.064
  659    HD1  PHE 113           HD2      PHE 113   1.656  -6.172  -3.488
  660    HD2  PHE 113           HD1      PHE 113   4.938  -4.070  -5.238
  661    HE1  PHE 113           HE2      PHE 113   2.085  -5.029  -1.363
  662    HE2  PHE 113           HE1      PHE 113   5.356  -2.944  -3.107
  663    HZ   PHE 113           HZ       PHE 113   4.009  -3.660  -1.068
  664    H    LEU 114           HN       LEU 114   1.122  -8.067  -6.832
  665    HA   LEU 114           HA       LEU 114   0.003  -8.730  -4.249
  666    HB2  LEU 114           HB2      LEU 114  -1.352  -9.437  -6.816
  667    HB3  LEU 114           HB3      LEU 114  -2.054  -9.007  -5.266
  668    HG   LEU 114           HG       LEU 114  -0.980  -7.245  -7.416
  669   HD11  LEU 114          HD11      LEU 114  -3.363  -7.674  -7.283
  670   HD12  LEU 114          HD12      LEU 114  -3.382  -7.110  -5.610
  671   HD13  LEU 114          HD13      LEU 114  -3.003  -5.987  -6.917
  672   HD21  LEU 114          HD21      LEU 114  -1.264  -6.335  -4.567
  673   HD22  LEU 114          HD22      LEU 114   0.278  -6.628  -5.378
  674   HD23  LEU 114          HD23      LEU 114  -0.806  -5.360  -5.963
  675    H    GLU 115           HN       GLU 115   1.546 -10.433  -6.821
  676    HA   GLU 115           HA       GLU 115   0.945 -13.021  -5.779
  677    HB2  GLU 115           HB2      GLU 115   3.140 -12.027  -7.597
  678    HB3  GLU 115           HB3      GLU 115   2.970 -13.714  -7.138
  679    HG2  GLU 115           HG2      GLU 115   0.804 -12.156  -8.518
  680    HG3  GLU 115           HG3      GLU 115   2.030 -13.087  -9.376
  681    H    LEU 116           HN       LEU 116   2.813 -10.442  -4.817
  682    HA   LEU 116           HA       LEU 116   5.033 -11.906  -3.668
  683    HB2  LEU 116           HB2      LEU 116   5.893 -10.005  -4.530
  684    HB3  LEU 116           HB3      LEU 116   4.371  -9.144  -4.418
  685    HG   LEU 116           HG       LEU 116   5.673  -9.574  -1.835
  686   HD11  LEU 116          HD11      LEU 116   6.963  -7.827  -3.920
  687   HD12  LEU 116          HD12      LEU 116   7.379  -7.857  -2.207
  688   HD13  LEU 116          HD13      LEU 116   7.666  -9.281  -3.209
  689   HD21  LEU 116          HD21      LEU 116   3.720  -8.151  -2.149
  690   HD22  LEU 116          HD22      LEU 116   5.106  -7.237  -1.551
  691   HD23  LEU 116          HD23      LEU 116   4.650  -7.135  -3.251
  692    H    ALA 117           HN       ALA 117   2.119 -10.299  -2.690
  693    HA   ALA 117           HA       ALA 117   2.574 -11.242   0.073
  694    HB1  ALA 117           HB1      ALA 117   1.264  -9.330   0.888
  695    HB2  ALA 117           HB2      ALA 117   2.700  -8.793   0.012
  696    HB3  ALA 117           HB3      ALA 117   1.119  -8.727  -0.765
  697    HA   PRO 118           HA       PRO 118  -1.684 -12.995  -0.087
  698    HB2  PRO 118           HB2      PRO 118  -2.538 -10.716   1.637
  699    HB3  PRO 118           HB3      PRO 118  -2.907 -12.437   1.793
  700    HG2  PRO 118           HG2      PRO 118  -1.098 -11.262   3.375
  701    HG3  PRO 118           HG3      PRO 118  -0.877 -12.921   2.790
  702    HD2  PRO 118           HD2      PRO 118   0.501 -10.426   1.975
  703    HD3  PRO 118           HD3      PRO 118   1.082 -12.102   1.946
  704    H    ASP 119           HN       ASP 119  -3.279 -12.620  -1.534
  705    HA   ASP 119           HA       ASP 119  -2.982 -10.632  -3.421
  706    HB2  ASP 119           HB2      ASP 119  -5.119 -11.335  -4.370
  707    HB3  ASP 119           HB3      ASP 119  -4.134 -12.717  -3.909
  708    H    PHE 120           HN       PHE 120  -4.577 -10.278  -0.381
  709    HA   PHE 120           HA       PHE 120  -6.103  -7.987  -1.308
  710    HB2  PHE 120           HB2      PHE 120  -6.856  -9.739   0.513
  711    HB3  PHE 120           HB3      PHE 120  -5.870  -8.730   1.570
  712    HD1  PHE 120           HD1      PHE 120  -6.344  -6.059   0.854
  713    HD2  PHE 120           HD2      PHE 120  -9.078  -9.317   0.807
  714    HE1  PHE 120           HE1      PHE 120  -8.212  -4.484   1.104
  715    HE2  PHE 120           HE2      PHE 120 -10.950  -7.747   1.057
  716    HZ   PHE 120           HZ       PHE 120 -10.518  -5.330   1.203
  717    H    VAL 121           HN       VAL 121  -3.439  -8.892   0.711
  718    HA   VAL 121           HA       VAL 121  -2.950  -6.325   1.806
  719    HB   VAL 121           HB       VAL 121  -1.240  -8.803   1.690
  720   HG11  VAL 121          HG11      VAL 121  -0.056  -7.828   3.604
  721   HG12  VAL 121          HG12      VAL 121   0.100  -6.825   2.160
  722   HG13  VAL 121          HG13      VAL 121  -1.015  -6.357   3.442
  723   HG21  VAL 121          HG21      VAL 121  -3.499  -9.002   2.701
  724   HG22  VAL 121          HG22      VAL 121  -2.173  -9.306   3.842
  725   HG23  VAL 121          HG23      VAL 121  -3.031  -7.761   3.869
  726    H    GLY 122           HN       GLY 122  -1.465  -8.290  -0.746
  727    HA2  GLY 122           HA1      GLY 122   0.524  -6.510  -1.532
  728    HA3  GLY 122           HA2      GLY 122  -0.313  -7.638  -2.595
  729    H    ASP 123           HN       ASP 123  -2.933  -6.619  -2.352
  730    HA   ASP 123           HA       ASP 123  -2.774  -4.514  -4.263
  731    HB2  ASP 123           HB2      ASP 123  -4.499  -6.339  -4.267
  732    HB3  ASP 123           HB3      ASP 123  -5.219  -5.593  -2.846
  733    H    ILE 124           HN       ILE 124  -3.826  -4.771  -0.885
  734    HA   ILE 124           HA       ILE 124  -4.475  -2.123  -0.411
  735    HB   ILE 124           HB       ILE 124  -3.642  -4.420   1.225
  736   HG12  ILE 124          HG12      ILE 124  -5.576  -2.164   1.811
  737   HG13  ILE 124          HG13      ILE 124  -5.980  -3.552   0.791
  738   HG21  ILE 124          HG21      ILE 124  -3.228  -1.610   2.282
  739   HG22  ILE 124          HG22      ILE 124  -3.271  -3.068   3.278
  740   HG23  ILE 124          HG23      ILE 124  -1.989  -2.850   2.083
  741   HD11  ILE 124          HD11      ILE 124  -6.793  -3.800   3.098
  742   HD12  ILE 124          HD12      ILE 124  -5.651  -5.069   2.650
  743   HD13  ILE 124          HD13      ILE 124  -5.129  -3.732   3.676
  744    H    LEU 125           HN       LEU 125  -1.285  -3.642   0.027
  745    HA   LEU 125           HA       LEU 125   0.090  -1.239   0.416
  746    HB2  LEU 125           HB2      LEU 125   0.774  -4.042  -0.219
  747    HB3  LEU 125           HB3      LEU 125   2.001  -2.831  -0.574
  748    HG   LEU 125           HG       LEU 125   0.655  -3.128   2.096
  749   HD11  LEU 125          HD11      LEU 125   2.721  -4.169   2.855
  750   HD12  LEU 125          HD12      LEU 125   1.969  -5.123   1.575
  751   HD13  LEU 125          HD13      LEU 125   3.365  -4.109   1.213
  752   HD21  LEU 125          HD21      LEU 125   3.052  -1.560   1.151
  753   HD22  LEU 125          HD22      LEU 125   1.488  -0.905   1.644
  754   HD23  LEU 125          HD23      LEU 125   2.525  -1.698   2.831
  755    H    TRP 126           HN       TRP 126  -0.662  -3.073  -2.491
  756    HA   TRP 126           HA       TRP 126   0.830  -1.528  -4.292
  757    HB2  TRP 126           HB2      TRP 126  -0.032  -3.635  -5.048
  758    HB3  TRP 126           HB3      TRP 126  -1.693  -3.137  -4.722
  759    HD1  TRP 126           HD1      TRP 126  -2.976  -2.272  -6.725
  760    HE1  TRP 126           HE1      TRP 126  -2.362  -1.247  -9.020
  761    HE3  TRP 126           HE3      TRP 126   2.105  -2.243  -6.263
  762    HZ2  TRP 126           HZ2      TRP 126   0.000  -0.553 -10.438
  763    HZ3  TRP 126           HZ3      TRP 126   3.472  -1.404  -8.130
  764    HH2  TRP 126           HH2      TRP 126   2.434  -0.581 -10.177
  765    H    GLU 127           HN       GLU 127  -2.506  -1.116  -3.093
  766    HA   GLU 127           HA       GLU 127  -3.172   1.126  -4.584
  767    HB2  GLU 127           HB2      GLU 127  -4.026   0.056  -1.968
  768    HB3  GLU 127           HB3      GLU 127  -4.304   1.777  -2.211
  769    HG2  GLU 127           HG2      GLU 127  -5.235  -0.416  -4.033
  770    HG3  GLU 127           HG3      GLU 127  -6.226   0.436  -2.853
  771    H    HIS 128           HN       HIS 128  -1.771   1.158  -1.282
  772    HA   HIS 128           HA       HIS 128  -1.234   3.918  -1.388
  773    HB2  HIS 128           HB2      HIS 128  -1.122   2.409   0.692
  774    HB3  HIS 128           HB3      HIS 128   0.515   2.014   0.167
  775    HD1  HIS 128           HD1      HIS 128   0.871   3.254   2.666
  776    HD2  HIS 128           HD2      HIS 128  -0.025   5.641  -0.623
  777    HE1  HIS 128           HE1      HIS 128   1.519   5.593   3.336
  778    HE2  HIS 128           HE2      HIS 128   0.996   7.026   1.328
  779    H    LEU 129           HN       LEU 129   0.709   1.172  -2.517
  780    HA   LEU 129           HA       LEU 129   2.988   2.553  -3.265
  781    HB2  LEU 129           HB2      LEU 129   2.673   0.107  -3.467
  782    HB3  LEU 129           HB3      LEU 129   1.553   0.365  -4.785
  783    HG   LEU 129           HG       LEU 129   3.230   0.837  -6.306
  784   HD11  LEU 129          HD11      LEU 129   5.449   1.632  -5.706
  785   HD12  LEU 129          HD12      LEU 129   4.212   2.680  -5.005
  786   HD13  LEU 129          HD13      LEU 129   5.049   1.504  -3.992
  787   HD21  LEU 129          HD21      LEU 129   3.461  -1.466  -5.413
  788   HD22  LEU 129          HD22      LEU 129   4.975  -0.796  -6.023
  789   HD23  LEU 129          HD23      LEU 129   4.680  -0.866  -4.286
  790    H    GLU 130           HN       GLU 130  -0.034   2.097  -5.022
  791    HA   GLU 130           HA       GLU 130   0.665   3.690  -7.192
  792    HB2  GLU 130           HB2      GLU 130  -1.201   1.965  -7.072
  793    HB3  GLU 130           HB3      GLU 130  -2.140   3.166  -6.203
  794    HG2  GLU 130           HG2      GLU 130  -1.016   3.802  -8.899
  795    HG3  GLU 130           HG3      GLU 130  -2.482   2.838  -8.749
  796    H    ILE 131           HN       ILE 131  -1.064   4.324  -4.266
  797    HA   ILE 131           HA       ILE 131  -1.767   6.967  -4.655
  798    HB   ILE 131           HB       ILE 131  -1.358   5.187  -2.345
  799   HG12  ILE 131          HG12      ILE 131  -3.695   5.718  -1.878
  800   HG13  ILE 131          HG13      ILE 131  -3.687   6.975  -3.109
  801   HG21  ILE 131          HG21      ILE 131  -1.962   7.018  -0.759
  802   HG22  ILE 131          HG22      ILE 131  -0.350   7.182  -1.469
  803   HG23  ILE 131          HG23      ILE 131  -1.682   8.171  -2.066
  804   HD11  ILE 131          HD11      ILE 131  -3.206   5.101  -4.769
  805   HD12  ILE 131          HD12      ILE 131  -3.645   3.993  -3.464
  806   HD13  ILE 131          HD13      ILE 131  -4.819   5.167  -4.065
  807    H    LEU 132           HN       LEU 132   1.253   5.671  -3.209
  808    HA   LEU 132           HA       LEU 132   2.454   8.095  -2.529
  809    HB2  LEU 132           HB2      LEU 132   3.951   5.781  -3.736
  810    HB3  LEU 132           HB3      LEU 132   4.597   7.023  -2.685
  811    HG   LEU 132           HG       LEU 132   2.416   5.365  -1.569
  812   HD11  LEU 132          HD11      LEU 132   4.014   3.550  -1.096
  813   HD12  LEU 132          HD12      LEU 132   3.684   3.738  -2.819
  814   HD13  LEU 132          HD13      LEU 132   5.195   4.343  -2.140
  815   HD21  LEU 132          HD21      LEU 132   3.493   7.043  -0.168
  816   HD22  LEU 132          HD22      LEU 132   3.920   5.430   0.419
  817   HD23  LEU 132          HD23      LEU 132   5.084   6.366  -0.523
  818    H    GLN 133           HN       GLN 133   2.180   6.422  -5.539
  819    HA   GLN 133           HA       GLN 133   3.742   8.222  -7.094
  820    HB2  GLN 133           HB2      GLN 133   1.658   6.153  -7.754
  821    HB3  GLN 133           HB3      GLN 133   2.296   7.221  -8.996
  822    HG2  GLN 133           HG2      GLN 133   4.345   6.235  -8.992
  823    HG3  GLN 133           HG3      GLN 133   4.231   5.738  -7.304
  824   HE21  GLN 133          HE21      GLN 133   3.344   3.811  -6.790
  825   HE22  GLN 133          HE22      GLN 133   2.870   2.628  -7.963
  826    H    LYS 134           HN       LYS 134   0.217   7.840  -6.527
  827    HA   LYS 134           HA       LYS 134  -0.647   9.846  -8.167
  828    HB2  LYS 134           HB2      LYS 134  -2.529   8.839  -7.501
  829    HB3  LYS 134           HB3      LYS 134  -1.679   8.058  -6.179
  830    HG2  LYS 134           HG2      LYS 134  -2.666  10.860  -5.853
  831    HG3  LYS 134           HG3      LYS 134  -3.785   9.505  -5.725
  832    HD2  LYS 134           HD2      LYS 134  -2.181   8.518  -4.020
  833    HD3  LYS 134           HD3      LYS 134  -1.357  10.073  -4.034
  834    HE2  LYS 134           HE2      LYS 134  -4.275   9.676  -3.380
  835    HE3  LYS 134           HE3      LYS 134  -2.986   9.838  -2.188
  836    HZ1  LYS 134           HZ1      LYS 134  -2.520  12.049  -3.044
  837    HZ2  LYS 134           HZ2      LYS 134  -4.134  11.928  -2.535
  838    HZ3  LYS 134           HZ3      LYS 134  -3.767  11.895  -4.190
  839    H    GLU 135           HN       GLU 135   0.654  10.114  -4.921
  840    HA   GLU 135           HA       GLU 135  -0.298  12.568  -4.136
  841    HB2  GLU 135           HB2      GLU 135   2.360  11.241  -3.662
  842    HB3  GLU 135           HB3      GLU 135   1.888  12.736  -2.863
  843    HG2  GLU 135           HG2      GLU 135   0.304  10.185  -2.707
  844    HG3  GLU 135           HG3      GLU 135   1.519  10.667  -1.522
  845    H    ASP 136           HN       ASP 136   2.701  11.985  -5.975
  846    HA   ASP 136           HA       ASP 136   2.762  14.865  -6.584
  847    HB2  ASP 136           HB2      ASP 136   4.201  14.447  -4.659
  848    HB3  ASP 136           HB3      ASP 136   5.042  13.178  -5.537
  849    H    VAL 137           HN       VAL 137   3.083  11.692  -7.759
  850    HA   VAL 137           HA       VAL 137   4.791  12.619  -9.954
  851    HB   VAL 137           HB       VAL 137   6.342  11.445  -8.736
  852   HG11  VAL 137          HG11      VAL 137   4.269   9.365  -8.051
  853   HG12  VAL 137          HG12      VAL 137   5.953   9.360  -7.526
  854   HG13  VAL 137          HG13      VAL 137   4.863  10.635  -6.982
  855   HG21  VAL 137          HG21      VAL 137   6.302  10.553 -10.979
  856   HG22  VAL 137          HG22      VAL 137   6.709   9.270  -9.836
  857   HG23  VAL 137          HG23      VAL 137   5.078   9.367 -10.508
  858    H    LYS 138           HN       LYS 138   2.952   9.674  -9.110
  859    HA   LYS 138           HA       LYS 138   1.791   8.193 -10.361
  860    HB2  LYS 138           HB2      LYS 138   1.192  10.630 -12.046
  861    HB3  LYS 138           HB3      LYS 138   0.403   9.071 -12.235
  862    HG2  LYS 138           HG2      LYS 138  -0.453   9.261  -9.931
  863    HG3  LYS 138           HG3      LYS 138   0.278  10.864  -9.819
  864    HD2  LYS 138           HD2      LYS 138  -2.080  11.054 -10.371
  865    HD3  LYS 138           HD3      LYS 138  -1.090  11.603 -11.725
  866    HE2  LYS 138           HE2      LYS 138  -1.361   9.323 -12.730
  867    HE3  LYS 138           HE3      LYS 138  -2.509   8.957 -11.446
  868    HZ1  LYS 138           HZ1      LYS 138  -2.795  11.162 -13.416
  869    HZ2  LYS 138           HZ2      LYS 138  -3.918  10.746 -12.219
  870    HZ3  LYS 138           HZ3      LYS 138  -3.598   9.674 -13.493
  Start of MODEL   18
    1    H1   MET  29           H1       MET  29 -33.672  -7.492   4.020
    2    H2   MET  29           H2       MET  29 -32.117  -7.570   4.688
    3    H3   MET  29           H3       MET  29 -32.587  -8.692   3.509
    4    HA   MET  29           HA       MET  29 -31.119  -7.013   2.591
    5    HB2  MET  29           HB2      MET  29 -32.524  -6.340   0.692
    6    HB3  MET  29           HB3      MET  29 -32.792  -8.025   1.121
    7    HG2  MET  29           HG2      MET  29 -34.872  -7.526   2.142
    8    HG3  MET  29           HG3      MET  29 -34.569  -5.792   2.062
    9    HE1  MET  29           HE1      MET  29 -35.284  -8.382  -1.690
   10    HE2  MET  29           HE2      MET  29 -33.739  -8.314  -0.843
   11    HE3  MET  29           HE3      MET  29 -35.139  -9.043  -0.060
   12    H    GLU  30           HN       GLU  30 -32.911  -5.903   4.997
   13    HA   GLU  30           HA       GLU  30 -33.093  -3.924   6.058
   14    HB2  GLU  30           HB2      GLU  30 -31.509  -2.726   3.779
   15    HB3  GLU  30           HB3      GLU  30 -31.840  -1.964   5.328
   16    HG2  GLU  30           HG2      GLU  30 -30.027  -4.259   4.707
   17    HG3  GLU  30           HG3      GLU  30 -29.661  -2.741   5.526
   18    H    CYS  31           HN       CYS  31 -34.207  -1.864   5.964
   19    HA   CYS  31           HA       CYS  31 -35.879  -1.481   3.594
   20    HB2  CYS  31           HB2      CYS  31 -37.076  -2.997   5.194
   21    HB3  CYS  31           HB3      CYS  31 -37.036  -1.694   6.377
   22    HG   CYS  31           HG       CYS  31 -38.512  -1.298   3.325
   23    H    ALA  32           HN       ALA  32 -34.318  -0.258   6.434
   24    HA   ALA  32           HA       ALA  32 -35.416   2.348   6.459
   25    HB1  ALA  32           HB1      ALA  32 -32.636   1.462   7.247
   26    HB2  ALA  32           HB2      ALA  32 -33.406   2.983   7.695
   27    HB3  ALA  32           HB3      ALA  32 -34.051   1.457   8.299
   28    H    ASP  33           HN       ASP  33 -32.418   1.102   5.050
   29    HA   ASP  33           HA       ASP  33 -32.894   2.439   2.578
   30    HB2  ASP  33           HB2      ASP  33 -30.963   3.864   2.503
   31    HB3  ASP  33           HB3      ASP  33 -31.846   4.271   3.966
   32    H    VAL  34           HN       VAL  34 -32.174   1.125   1.040
   33    HA   VAL  34           HA       VAL  34 -30.622  -1.178   1.853
   34    HB   VAL  34           HB       VAL  34 -31.026  -2.033  -0.428
   35   HG11  VAL  34          HG11      VAL  34 -33.496  -1.007   0.969
   36   HG12  VAL  34          HG12      VAL  34 -33.451  -2.320  -0.208
   37   HG13  VAL  34          HG13      VAL  34 -32.632  -2.497   1.344
   38   HG21  VAL  34          HG21      VAL  34 -32.535  -0.844  -1.945
   39   HG22  VAL  34          HG22      VAL  34 -32.565   0.532  -0.841
   40   HG23  VAL  34          HG23      VAL  34 -31.063   0.081  -1.650
   41    HA   PRO  35           HA       PRO  35 -26.672   0.458   0.721
   42    HB2  PRO  35           HB2      PRO  35 -26.076  -2.416   0.223
   43    HB3  PRO  35           HB3      PRO  35 -25.217  -1.247   1.233
   44    HG2  PRO  35           HG2      PRO  35 -26.730  -3.107   2.352
   45    HG3  PRO  35           HG3      PRO  35 -26.733  -1.450   2.983
   46    HD2  PRO  35           HD2      PRO  35 -28.756  -2.818   1.246
   47    HD3  PRO  35           HD3      PRO  35 -29.011  -1.722   2.621
   48    H    LEU  36           HN       LEU  36 -26.152   1.313  -1.136
   49    HA   LEU  36           HA       LEU  36 -27.303   0.349  -3.596
   50    HB2  LEU  36           HB2      LEU  36 -25.333   2.591  -3.130
   51    HB3  LEU  36           HB3      LEU  36 -26.239   2.310  -4.603
   52    HG   LEU  36           HG       LEU  36 -27.466   3.017  -1.934
   53   HD11  LEU  36          HD11      LEU  36 -27.927   5.188  -2.950
   54   HD12  LEU  36          HD12      LEU  36 -26.194   4.879  -2.852
   55   HD13  LEU  36          HD13      LEU  36 -27.037   4.707  -4.392
   56   HD21  LEU  36          HD21      LEU  36 -28.957   1.688  -3.311
   57   HD22  LEU  36          HD22      LEU  36 -29.507   3.362  -3.251
   58   HD23  LEU  36          HD23      LEU  36 -28.674   2.758  -4.684
   59    H    LEU  37           HN       LEU  37 -24.203   0.324  -2.025
   60    HA   LEU  37           HA       LEU  37 -23.226  -1.517  -4.076
   61    HB2  LEU  37           HB2      LEU  37 -21.605   0.714  -2.825
   62    HB3  LEU  37           HB3      LEU  37 -20.930  -0.583  -3.787
   63    HG   LEU  37           HG       LEU  37 -22.578   0.308  -5.623
   64   HD11  LEU  37          HD11      LEU  37 -23.717   1.920  -4.192
   65   HD12  LEU  37          HD12      LEU  37 -22.188   2.755  -3.909
   66   HD13  LEU  37          HD13      LEU  37 -22.888   2.721  -5.529
   67   HD21  LEU  37          HD21      LEU  37 -20.808   1.753  -6.462
   68   HD22  LEU  37          HD22      LEU  37 -20.047   1.762  -4.870
   69   HD23  LEU  37          HD23      LEU  37 -20.145   0.260  -5.793
   70    H    THR  38           HN       THR  38 -22.125  -3.260  -3.237
   71    HA   THR  38           HA       THR  38 -22.233  -3.519  -0.327
   72    HB   THR  38           HB       THR  38 -21.670  -5.683  -2.360
   73    HG1  THR  38           HG1      THR  38 -24.171  -5.151  -1.090
   74   HG21  THR  38          HG21      THR  38 -20.997  -6.152  -0.035
   75   HG22  THR  38          HG22      THR  38 -22.318  -7.191  -0.569
   76   HG23  THR  38          HG23      THR  38 -22.648  -5.820   0.491
   77    HA   PRO  39           HA       PRO  39 -17.764  -2.873  -0.488
   78    HB2  PRO  39           HB2      PRO  39 -17.988  -2.504   2.384
   79    HB3  PRO  39           HB3      PRO  39 -17.582  -1.310   1.151
   80    HG2  PRO  39           HG2      PRO  39 -19.900  -1.249   2.573
   81    HG3  PRO  39           HG3      PRO  39 -19.750  -0.608   0.927
   82    HD2  PRO  39           HD2      PRO  39 -20.879  -3.226   1.839
   83    HD3  PRO  39           HD3      PRO  39 -21.481  -2.109   0.594
   84    H    SER  40           HN       SER  40 -16.703  -4.804  -0.664
   85    HA   SER  40           HA       SER  40 -16.658  -6.434   1.777
   86    HB2  SER  40           HB2      SER  40 -16.753  -7.566  -1.027
   87    HB3  SER  40           HB3      SER  40 -16.695  -8.489   0.476
   88    HG   SER  40           HG       SER  40 -18.720  -6.707   0.532
   89    H    SER  41           HN       SER  41 -15.004  -6.229  -1.417
   90    HA   SER  41           HA       SER  41 -12.587  -7.099  -0.066
   91    HB2  SER  41           HB2      SER  41 -13.070  -6.594  -3.007
   92    HB3  SER  41           HB3      SER  41 -11.665  -7.394  -2.303
   93    HG   SER  41           HG       SER  41 -13.120  -8.958  -3.004
   94    H    LYS  42           HN       LYS  42 -13.235  -4.480  -2.459
   95    HA   LYS  42           HA       LYS  42 -10.738  -3.285  -1.532
   96    HB2  LYS  42           HB2      LYS  42 -11.111  -3.644  -3.976
   97    HB3  LYS  42           HB3      LYS  42 -12.368  -2.413  -3.906
   98    HG2  LYS  42           HG2      LYS  42 -10.888  -0.702  -3.656
   99    HG3  LYS  42           HG3      LYS  42  -9.686  -1.699  -2.819
  100    HD2  LYS  42           HD2      LYS  42  -9.258  -2.838  -5.020
  101    HD3  LYS  42           HD3      LYS  42 -10.304  -1.637  -5.782
  102    HE2  LYS  42           HE2      LYS  42  -7.862  -0.954  -4.154
  103    HE3  LYS  42           HE3      LYS  42  -7.855  -1.130  -5.906
  104    HZ1  LYS  42           HZ1      LYS  42  -9.643   0.774  -4.507
  105    HZ2  LYS  42           HZ2      LYS  42  -9.263   0.717  -6.156
  106    HZ3  LYS  42           HZ3      LYS  42  -8.087   1.200  -5.033
  107    H    GLU  43           HN       GLU  43 -14.124  -2.751  -1.203
  108    HA   GLU  43           HA       GLU  43 -13.953   0.087  -0.993
  109    HB2  GLU  43           HB2      GLU  43 -16.040  -1.209  -1.532
  110    HB3  GLU  43           HB3      GLU  43 -16.109  -1.675   0.161
  111    HG2  GLU  43           HG2      GLU  43 -17.582   0.218  -0.381
  112    HG3  GLU  43           HG3      GLU  43 -16.371   0.618   0.837
  113    H    MET  44           HN       MET  44 -13.134  -2.491   1.101
  114    HA   MET  44           HA       MET  44 -13.355  -1.063   3.552
  115    HB2  MET  44           HB2      MET  44 -11.628  -3.432   2.812
  116    HB3  MET  44           HB3      MET  44 -11.860  -2.831   4.452
  117    HG2  MET  44           HG2      MET  44 -13.929  -4.043   2.631
  118    HG3  MET  44           HG3      MET  44 -13.274  -4.728   4.116
  119    HE1  MET  44           HE1      MET  44 -16.423  -4.284   3.265
  120    HE2  MET  44           HE2      MET  44 -15.912  -5.165   4.705
  121    HE3  MET  44           HE3      MET  44 -17.090  -3.857   4.840
  122    H    MET  45           HN       MET  45 -10.581  -1.811   1.425
  123    HA   MET  45           HA       MET  45  -8.818  -0.044   2.744
  124    HB2  MET  45           HB2      MET  45  -7.351  -0.294   0.864
  125    HB3  MET  45           HB3      MET  45  -8.085  -1.861   1.203
  126    HG2  MET  45           HG2      MET  45  -9.801  -1.173  -0.600
  127    HG3  MET  45           HG3      MET  45  -8.587   0.023  -1.063
  128    HE1  MET  45           HE1      MET  45  -5.549  -2.267  -1.917
  129    HE2  MET  45           HE2      MET  45  -6.136  -0.614  -1.741
  130    HE3  MET  45           HE3      MET  45  -5.952  -1.634  -0.319
  131    H    SER  46           HN       SER  46 -11.179   0.430   0.212
  132    HA   SER  46           HA       SER  46 -10.450   2.948  -0.686
  133    HB2  SER  46           HB2      SER  46 -12.205   1.752  -1.775
  134    HB3  SER  46           HB3      SER  46 -13.152   1.665  -0.292
  135    HG   SER  46           HG       SER  46 -14.062   3.412  -0.944
  136    H    GLN  47           HN       GLN  47 -12.592   2.118   2.057
  137    HA   GLN  47           HA       GLN  47 -12.611   4.818   2.986
  138    HB2  GLN  47           HB2      GLN  47 -13.714   3.854   5.025
  139    HB3  GLN  47           HB3      GLN  47 -14.533   3.506   3.511
  140    HG2  GLN  47           HG2      GLN  47 -13.515   1.272   3.502
  141    HG3  GLN  47           HG3      GLN  47 -12.756   1.630   5.050
  142   HE21  GLN  47          HE21      GLN  47 -15.725   0.940   3.409
  143   HE22  GLN  47          HE22      GLN  47 -16.668   0.596   4.825
  144    H    ALA  48           HN       ALA  48 -10.992   1.839   4.184
  145    HA   ALA  48           HA       ALA  48  -9.791   3.178   6.372
  146    HB1  ALA  48           HB1      ALA  48  -8.489   1.147   6.696
  147    HB2  ALA  48           HB2      ALA  48 -10.188   0.771   6.386
  148    HB3  ALA  48           HB3      ALA  48  -8.991   0.565   5.108
  149    H    LEU  49           HN       LEU  49  -8.341   2.050   3.264
  150    HA   LEU  49           HA       LEU  49  -5.728   2.885   4.035
  151    HB2  LEU  49           HB2      LEU  49  -6.986   1.606   1.711
  152    HB3  LEU  49           HB3      LEU  49  -5.715   2.742   1.284
  153    HG   LEU  49           HG       LEU  49  -5.467   0.292   2.998
  154   HD11  LEU  49          HD11      LEU  49  -3.917  -0.385   1.239
  155   HD12  LEU  49          HD12      LEU  49  -5.524  -0.047   0.589
  156   HD13  LEU  49          HD13      LEU  49  -4.228   1.129   0.387
  157   HD21  LEU  49          HD21      LEU  49  -4.121   2.062   3.995
  158   HD22  LEU  49          HD22      LEU  49  -3.093   0.858   3.223
  159   HD23  LEU  49          HD23      LEU  49  -3.392   2.402   2.430
  160    H    LYS  50           HN       LYS  50  -8.058   4.066   1.646
  161    HA   LYS  50           HA       LYS  50  -6.335   6.010   0.658
  162    HB2  LYS  50           HB2      LYS  50  -9.340   6.142   0.490
  163    HB3  LYS  50           HB3      LYS  50  -8.162   6.775  -0.655
  164    HG2  LYS  50           HG2      LYS  50  -8.776   3.883  -0.089
  165    HG3  LYS  50           HG3      LYS  50  -9.128   4.782  -1.564
  166    HD2  LYS  50           HD2      LYS  50  -6.300   4.648  -0.652
  167    HD3  LYS  50           HD3      LYS  50  -7.010   3.192  -1.344
  168    HE2  LYS  50           HE2      LYS  50  -5.799   4.594  -2.978
  169    HE3  LYS  50           HE3      LYS  50  -7.487   4.322  -3.398
  170    HZ1  LYS  50           HZ1      LYS  50  -8.015   6.539  -2.593
  171    HZ2  LYS  50           HZ2      LYS  50  -6.818   6.607  -3.792
  172    HZ3  LYS  50           HZ3      LYS  50  -6.392   6.800  -2.163
  173    H    ALA  51           HN       ALA  51  -8.636   6.086   3.272
  174    HA   ALA  51           HA       ALA  51  -8.321   8.902   3.795
  175    HB1  ALA  51           HB1      ALA  51 -10.365   7.671   4.430
  176    HB2  ALA  51           HB2      ALA  51  -9.424   6.781   5.626
  177    HB3  ALA  51           HB3      ALA  51  -9.622   8.527   5.779
  178    H    THR  52           HN       THR  52  -6.852   5.904   5.000
  179    HA   THR  52           HA       THR  52  -5.728   7.119   7.329
  180    HB   THR  52           HB       THR  52  -6.305   4.663   7.097
  181    HG1  THR  52           HG1      THR  52  -3.833   5.618   8.099
  182   HG21  THR  52          HG21      THR  52  -5.228   4.245   4.926
  183   HG22  THR  52          HG22      THR  52  -4.576   3.179   6.173
  184   HG23  THR  52          HG23      THR  52  -3.653   4.586   5.640
  185    H    PHE  53           HN       PHE  53  -4.803   7.424   4.163
  186    HA   PHE  53           HA       PHE  53  -2.105   6.735   4.176
  187    HB2  PHE  53           HB2      PHE  53  -3.625   8.705   2.492
  188    HB3  PHE  53           HB3      PHE  53  -1.913   8.378   2.239
  189    HD1  PHE  53           HD2      PHE  53  -1.879   5.470   2.810
  190    HD2  PHE  53           HD1      PHE  53  -4.592   7.842   0.566
  191    HE1  PHE  53           HE2      PHE  53  -2.452   3.514   1.448
  192    HE2  PHE  53           HE1      PHE  53  -5.179   5.883  -0.793
  193    HZ   PHE  53           HZ       PHE  53  -4.108   3.711  -0.354
  194    H    SER  54           HN       SER  54  -3.620   9.543   5.496
  195    HA   SER  54           HA       SER  54  -1.446  11.312   5.498
  196    HB2  SER  54           HB2      SER  54  -2.698  12.170   7.631
  197    HB3  SER  54           HB3      SER  54  -3.482  12.291   6.056
  198    HG   SER  54           HG       SER  54  -4.101  10.699   8.241
  199    H    GLY  55           HN       GLY  55  -2.105   8.469   7.370
  200    HA2  GLY  55           HA1      GLY  55  -0.469   8.852   9.580
  201    HA3  GLY  55           HA2      GLY  55  -0.799   7.300   8.825
  202    H    PHE  56           HN       PHE  56   0.514   7.061   6.630
  203    HA   PHE  56           HA       PHE  56   3.236   7.109   7.586
  204    HB2  PHE  56           HB2      PHE  56   2.337   5.092   6.459
  205    HB3  PHE  56           HB3      PHE  56   2.229   6.013   4.960
  206    HD1  PHE  56           HD1      PHE  56   4.582   4.702   7.491
  207    HD2  PHE  56           HD2      PHE  56   4.120   6.371   3.603
  208    HE1  PHE  56           HE1      PHE  56   6.905   4.102   6.963
  209    HE2  PHE  56           HE2      PHE  56   6.447   5.777   3.069
  210    HZ   PHE  56           HZ       PHE  56   7.892   4.790   4.820
  211    H    THR  57           HN       THR  57   1.481   8.450   4.823
  212    HA   THR  57           HA       THR  57   3.700   9.404   3.401
  213    HB   THR  57           HB       THR  57   1.115  10.929   3.467
  214    HG1  THR  57           HG1      THR  57   0.314   9.388   1.940
  215   HG21  THR  57          HG21      THR  57   1.602  11.273   1.103
  216   HG22  THR  57          HG22      THR  57   3.041  10.263   1.241
  217   HG23  THR  57          HG23      THR  57   2.958  11.800   2.101
  218    H    LYS  58           HN       LYS  58   2.149  10.647   6.238
  219    HA   LYS  58           HA       LYS  58   3.211  13.332   5.948
  220    HB2  LYS  58           HB2      LYS  58   1.135  13.207   7.105
  221    HB3  LYS  58           HB3      LYS  58   1.729  11.953   8.184
  222    HG2  LYS  58           HG2      LYS  58   3.228  13.542   9.239
  223    HG3  LYS  58           HG3      LYS  58   2.711  14.798   8.116
  224    HD2  LYS  58           HD2      LYS  58   0.511  14.811   9.025
  225    HD3  LYS  58           HD3      LYS  58   0.832  13.365   9.984
  226    HE2  LYS  58           HE2      LYS  58   0.881  15.450  11.315
  227    HE3  LYS  58           HE3      LYS  58   2.405  14.567  11.355
  228    HZ1  LYS  58           HZ1      LYS  58   2.687  16.970  11.078
  229    HZ2  LYS  58           HZ2      LYS  58   1.852  16.902   9.600
  230    HZ3  LYS  58           HZ3      LYS  58   3.336  16.099   9.779
  231    H    GLU  59           HN       GLU  59   3.975  10.352   7.596
  232    HA   GLU  59           HA       GLU  59   6.227  11.532   8.991
  233    HB2  GLU  59           HB2      GLU  59   6.088   9.749  10.331
  234    HB3  GLU  59           HB3      GLU  59   4.621   9.303   9.465
  235    HG2  GLU  59           HG2      GLU  59   5.855   7.897   7.976
  236    HG3  GLU  59           HG3      GLU  59   7.393   8.431   8.681
  237    H    GLN  60           HN       GLN  60   5.484   9.969   6.038
  238    HA   GLN  60           HA       GLN  60   7.960   8.879   5.296
  239    HB2  GLN  60           HB2      GLN  60   5.634   8.696   4.191
  240    HB3  GLN  60           HB3      GLN  60   6.019  10.222   3.422
  241    HG2  GLN  60           HG2      GLN  60   7.887   9.240   2.284
  242    HG3  GLN  60           HG3      GLN  60   7.638   7.710   3.135
  243   HE21  GLN  60          HE21      GLN  60   7.613   8.220   0.283
  244   HE22  GLN  60          HE22      GLN  60   6.050   7.743  -0.282
  245    H    GLN  61           HN       GLN  61   6.469  11.990   4.559
  246    HA   GLN  61           HA       GLN  61   8.666  13.292   3.419
  247    HB2  GLN  61           HB2      GLN  61   6.228  14.187   4.916
  248    HB3  GLN  61           HB3      GLN  61   7.491  15.360   4.576
  249    HG2  GLN  61           HG2      GLN  61   5.847  15.527   2.862
  250    HG3  GLN  61           HG3      GLN  61   7.304  14.833   2.165
  251   HE21  GLN  61          HE21      GLN  61   7.290  12.612   1.599
  252   HE22  GLN  61          HE22      GLN  61   5.790  11.786   1.326
  253    H    ARG  62           HN       ARG  62   7.766  12.689   6.731
  254    HA   ARG  62           HA       ARG  62   9.548  14.528   7.953
  255    HB2  ARG  62           HB2      ARG  62   7.436  13.820   8.947
  256    HB3  ARG  62           HB3      ARG  62   8.043  12.175   9.062
  257    HG2  ARG  62           HG2      ARG  62   8.126  13.285  11.218
  258    HG3  ARG  62           HG3      ARG  62   9.745  12.885  10.647
  259    HD2  ARG  62           HD2      ARG  62   9.643  15.128  11.642
  260    HD3  ARG  62           HD3      ARG  62  10.100  15.173   9.941
  261    HE   ARG  62           HE       ARG  62   7.819  15.895   9.446
  262   HH11  ARG  62          HH12      ARG  62   8.891  16.134  12.780
  263   HH12  ARG  62          HH11      ARG  62   7.787  17.418  13.174
  264   HH21  ARG  62          HH22      ARG  62   6.347  17.546   9.976
  265   HH22  ARG  62          HH21      ARG  62   6.317  18.197  11.590
  266    H    LEU  63           HN       LEU  63   9.569  10.991   7.610
  267    HA   LEU  63           HA       LEU  63  12.109  10.694   8.874
  268    HB2  LEU  63           HB2      LEU  63  10.449   8.762   7.293
  269    HB3  LEU  63           HB3      LEU  63  11.941   8.331   8.107
  270    HG   LEU  63           HG       LEU  63   9.402   9.291   9.427
  271   HD11  LEU  63          HD11      LEU  63   9.324   7.043  10.359
  272   HD12  LEU  63          HD12      LEU  63   9.283   7.003   8.596
  273   HD13  LEU  63          HD13      LEU  63  10.775   6.609   9.452
  274   HD21  LEU  63          HD21      LEU  63  11.385  10.097  10.615
  275   HD22  LEU  63          HD22      LEU  63  10.544   8.851  11.536
  276   HD23  LEU  63          HD23      LEU  63  12.026   8.455  10.663
  277    H    GLY  64           HN       GLY  64  11.615  12.227   6.272
  278    HA2  GLY  64           HA1      GLY  64  12.912  12.783   4.465
  279    HA3  GLY  64           HA2      GLY  64  14.209  11.852   5.215
  280    H    ILE  65           HN       ILE  65  11.164  10.351   4.637
  281    HA   ILE  65           HA       ILE  65  12.449   8.526   2.837
  282    HB   ILE  65           HB       ILE  65   9.615   8.484   3.880
  283   HG12  ILE  65          HG12      ILE  65  12.125   7.045   4.749
  284   HG13  ILE  65          HG13      ILE  65  11.101   8.102   5.715
  285   HG21  ILE  65          HG21      ILE  65   9.601   6.145   3.054
  286   HG22  ILE  65          HG22      ILE  65   9.775   7.327   1.756
  287   HG23  ILE  65          HG23      ILE  65  11.179   6.421   2.318
  288   HD11  ILE  65          HD11      ILE  65   9.300   6.433   5.587
  289   HD12  ILE  65          HD12      ILE  65  10.373   5.374   4.668
  290   HD13  ILE  65          HD13      ILE  65  10.762   5.793   6.337
  291    HA   PRO  66           HA       PRO  66  11.226  10.891  -0.783
  292    HB2  PRO  66           HB2      PRO  66  11.340   8.127  -1.901
  293    HB3  PRO  66           HB3      PRO  66  12.042   9.620  -2.533
  294    HG2  PRO  66           HG2      PRO  66  13.549   7.791  -1.310
  295    HG3  PRO  66           HG3      PRO  66  13.850   9.527  -1.098
  296    HD2  PRO  66           HD2      PRO  66  12.656   7.568   0.780
  297    HD3  PRO  66           HD3      PRO  66  13.580   9.044   1.119
  298    H    LYS  67           HN       LYS  67   9.207  11.402  -1.428
  299    HA   LYS  67           HA       LYS  67   6.901  10.057  -0.595
  300    HB2  LYS  67           HB2      LYS  67   5.711  11.526  -2.201
  301    HB3  LYS  67           HB3      LYS  67   6.857  12.401  -1.190
  302    HG2  LYS  67           HG2      LYS  67   8.444  12.514  -2.967
  303    HG3  LYS  67           HG3      LYS  67   7.461  11.452  -3.984
  304    HD2  LYS  67           HD2      LYS  67   7.153  13.713  -4.729
  305    HD3  LYS  67           HD3      LYS  67   5.669  13.186  -3.933
  306    HE2  LYS  67           HE2      LYS  67   6.315  14.375  -1.908
  307    HE3  LYS  67           HE3      LYS  67   7.829  14.872  -2.667
  308    HZ1  LYS  67           HZ1      LYS  67   5.095  15.634  -3.549
  309    HZ2  LYS  67           HZ2      LYS  67   6.530  16.074  -4.334
  310    HZ3  LYS  67           HZ3      LYS  67   6.210  16.645  -2.769
  311    H    ASP  68           HN       ASP  68   8.812   9.698  -3.447
  312    HA   ASP  68           HA       ASP  68   6.846   8.053  -4.850
  313    HB2  ASP  68           HB2      ASP  68   8.235   9.751  -6.047
  314    HB3  ASP  68           HB3      ASP  68   9.685   8.874  -5.567
  315    HA   PRO  69           HA       PRO  69   8.672   4.298  -3.377
  316    HB2  PRO  69           HB2      PRO  69   7.827   2.833  -5.685
  317    HB3  PRO  69           HB3      PRO  69   7.085   2.880  -4.087
  318    HG2  PRO  69           HG2      PRO  69   5.964   3.909  -6.391
  319    HG3  PRO  69           HG3      PRO  69   5.518   4.384  -4.744
  320    HD2  PRO  69           HD2      PRO  69   7.246   5.781  -6.719
  321    HD3  PRO  69           HD3      PRO  69   6.160   6.454  -5.486
  322    H    ARG  70           HN       ARG  70   9.249   4.997  -6.820
  323    HA   ARG  70           HA       ARG  70  10.922   2.706  -7.072
  324    HB2  ARG  70           HB2      ARG  70  11.461   3.925  -9.392
  325    HB3  ARG  70           HB3      ARG  70  10.056   2.920  -9.103
  326    HG2  ARG  70           HG2      ARG  70  10.000   5.900  -8.767
  327    HG3  ARG  70           HG3      ARG  70   9.692   5.102 -10.310
  328    HD2  ARG  70           HD2      ARG  70   7.869   3.790  -9.185
  329    HD3  ARG  70           HD3      ARG  70   8.139   4.783  -7.742
  330    HE   ARG  70           HE       ARG  70   7.431   6.713  -8.985
  331   HH11  ARG  70          HH12      ARG  70   6.784   3.618 -10.503
  332   HH12  ARG  70          HH11      ARG  70   5.509   4.238 -11.504
  333   HH21  ARG  70          HH22      ARG  70   5.770   7.526 -10.335
  334   HH22  ARG  70          HH21      ARG  70   4.947   6.442 -11.423
  335    H    GLN  71           HN       GLN  71  11.778   5.318  -5.502
  336    HA   GLN  71           HA       GLN  71  14.580   4.823  -6.229
  337    HB2  GLN  71           HB2      GLN  71  15.221   7.060  -6.007
  338    HB3  GLN  71           HB3      GLN  71  13.668   7.176  -6.825
  339    HG2  GLN  71           HG2      GLN  71  14.106   7.514  -3.869
  340    HG3  GLN  71           HG3      GLN  71  13.907   8.821  -5.037
  341   HE21  GLN  71          HE21      GLN  71  12.327   6.039  -3.574
  342   HE22  GLN  71          HE22      GLN  71  10.706   6.595  -3.820
  343    H    TRP  72           HN       TRP  72  12.599   3.853  -4.074
  344    HA   TRP  72           HA       TRP  72  13.649   4.797  -1.596
  345    HB2  TRP  72           HB2      TRP  72  11.674   2.777  -2.551
  346    HB3  TRP  72           HB3      TRP  72  12.320   2.555  -0.930
  347    HD1  TRP  72           HD1      TRP  72  12.198   6.115  -1.061
  348    HE1  TRP  72           HE1      TRP  72   9.936   7.036  -0.216
  349    HE3  TRP  72           HE3      TRP  72   9.460   1.835  -1.251
  350    HZ2  TRP  72           HZ2      TRP  72   7.333   6.048   0.310
  351    HZ3  TRP  72           HZ3      TRP  72   7.107   1.891  -0.566
  352    HH2  TRP  72           HH2      TRP  72   6.065   3.948   0.194
  353    H    THR  73           HN       THR  73  14.791   3.497  -0.012
  354    HA   THR  73           HA       THR  73  16.438   1.358  -1.027
  355    HB   THR  73           HB       THR  73  17.302   1.257   1.290
  356    HG1  THR  73           HG1      THR  73  16.462   3.051   2.696
  357   HG21  THR  73          HG21      THR  73  18.396   3.388   1.344
  358   HG22  THR  73          HG22      THR  73  17.113   4.137   0.397
  359   HG23  THR  73          HG23      THR  73  18.183   2.947  -0.351
  360    H    GLU  74           HN       GLU  74  16.490  -0.721   0.456
  361    HA   GLU  74           HA       GLU  74  13.973  -1.970   0.425
  362    HB2  GLU  74           HB2      GLU  74  16.526  -2.613   1.878
  363    HB3  GLU  74           HB3      GLU  74  15.083  -3.597   2.083
  364    HG2  GLU  74           HG2      GLU  74  15.074  -3.866  -0.428
  365    HG3  GLU  74           HG3      GLU  74  16.689  -3.155  -0.413
  366    H    THR  75           HN       THR  75  15.638  -0.123   2.876
  367    HA   THR  75           HA       THR  75  14.040  -0.815   5.088
  368    HB   THR  75           HB       THR  75  15.424   1.837   4.681
  369    HG1  THR  75           HG1      THR  75  17.322   0.840   5.343
  370   HG21  THR  75          HG21      THR  75  14.013   1.637   6.675
  371   HG22  THR  75          HG22      THR  75  15.721   1.746   7.108
  372   HG23  THR  75          HG23      THR  75  14.896   0.187   7.157
  373    H    HIS  76           HN       HIS  76  13.781   1.705   2.613
  374    HA   HIS  76           HA       HIS  76  11.699   3.138   3.974
  375    HB2  HIS  76           HB2      HIS  76  12.851   3.348   1.190
  376    HB3  HIS  76           HB3      HIS  76  11.513   4.351   1.738
  377    HD1  HIS  76           HD1      HIS  76  14.530   5.281   0.969
  378    HD2  HIS  76           HD2      HIS  76  12.847   4.940   4.762
  379    HE1  HIS  76           HE1      HIS  76  15.867   6.805   2.438
  380    HE2  HIS  76           HE2      HIS  76  14.792   6.641   4.724
  381    H    VAL  77           HN       VAL  77  11.859   0.864   1.276
  382    HA   VAL  77           HA       VAL  77   9.174   0.853   0.574
  383    HB   VAL  77           HB       VAL  77  11.277  -1.314   0.404
  384   HG11  VAL  77          HG11      VAL  77   9.798  -2.443  -1.185
  385   HG12  VAL  77          HG12      VAL  77   9.062  -2.328   0.414
  386   HG13  VAL  77          HG13      VAL  77   8.548  -1.241  -0.874
  387   HG21  VAL  77          HG21      VAL  77  10.170   0.571  -1.696
  388   HG22  VAL  77          HG22      VAL  77  11.749   0.702  -0.923
  389   HG23  VAL  77          HG23      VAL  77  11.390  -0.675  -1.968
  390    H    ARG  78           HN       ARG  78  10.970  -1.284   2.815
  391    HA   ARG  78           HA       ARG  78   8.744  -2.808   3.604
  392    HB2  ARG  78           HB2      ARG  78  11.277  -2.210   5.122
  393    HB3  ARG  78           HB3      ARG  78  10.109  -3.445   5.571
  394    HG2  ARG  78           HG2      ARG  78  10.513  -4.484   3.299
  395    HG3  ARG  78           HG3      ARG  78  11.879  -3.378   3.140
  396    HD2  ARG  78           HD2      ARG  78  12.461  -4.359   5.537
  397    HD3  ARG  78           HD3      ARG  78  11.514  -5.719   4.941
  398    HE   ARG  78           HE       ARG  78  13.255  -5.238   2.921
  399   HH11  ARG  78          HH12      ARG  78  13.627  -5.753   6.360
  400   HH12  ARG  78          HH11      ARG  78  15.185  -6.515   6.213
  401   HH21  ARG  78          HH22      ARG  78  15.340  -6.189   2.710
  402   HH22  ARG  78          HH21      ARG  78  16.169  -6.734   4.143
  403    H    ASP  79           HN       ASP  79  10.017   0.225   4.820
  404    HA   ASP  79           HA       ASP  79   8.617   0.552   7.192
  405    HB2  ASP  79           HB2      ASP  79   9.677   2.366   5.084
  406    HB3  ASP  79           HB3      ASP  79   8.537   3.064   6.231
  407    H    TRP  80           HN       TRP  80   7.704   1.516   3.924
  408    HA   TRP  80           HA       TRP  80   5.096   2.394   4.647
  409    HB2  TRP  80           HB2      TRP  80   5.943   3.505   2.821
  410    HB3  TRP  80           HB3      TRP  80   6.788   2.085   2.219
  411    HD1  TRP  80           HD1      TRP  80   3.436   3.885   2.014
  412    HE1  TRP  80           HE1      TRP  80   2.163   2.886   0.008
  413    HE3  TRP  80           HE3      TRP  80   6.499  -0.063   0.949
  414    HZ2  TRP  80           HZ2      TRP  80   2.412   0.732  -1.776
  415    HZ3  TRP  80           HZ3      TRP  80   5.906  -1.552  -0.914
  416    HH2  TRP  80           HH2      TRP  80   3.900  -1.165  -2.240
  417    H    VAL  81           HN       VAL  81   6.585  -0.526   3.617
  418    HA   VAL  81           HA       VAL  81   4.387  -1.942   2.590
  419    HB   VAL  81           HB       VAL  81   7.110  -2.615   3.593
  420   HG11  VAL  81          HG11      VAL  81   6.749  -5.011   3.300
  421   HG12  VAL  81          HG12      VAL  81   5.821  -4.362   4.653
  422   HG13  VAL  81          HG13      VAL  81   5.017  -4.724   3.126
  423   HG21  VAL  81          HG21      VAL  81   6.786  -1.986   1.278
  424   HG22  VAL  81          HG22      VAL  81   7.286  -3.674   1.391
  425   HG23  VAL  81          HG23      VAL  81   5.597  -3.275   1.074
  426    H    MET  82           HN       MET  82   5.958  -2.162   5.764
  427    HA   MET  82           HA       MET  82   3.818  -3.686   6.850
  428    HB2  MET  82           HB2      MET  82   4.917  -3.461   8.990
  429    HB3  MET  82           HB3      MET  82   6.063  -3.894   7.731
  430    HG2  MET  82           HG2      MET  82   6.714  -1.486   7.597
  431    HG3  MET  82           HG3      MET  82   5.696  -1.195   9.009
  432    HE1  MET  82           HE1      MET  82   6.242  -4.075  10.469
  433    HE2  MET  82           HE2      MET  82   7.495  -3.606  11.621
  434    HE3  MET  82           HE3      MET  82   6.101  -2.557  11.357
  435    H    TRP  83           HN       TRP  83   4.121  -0.287   6.321
  436    HA   TRP  83           HA       TRP  83   2.521   0.492   8.559
  437    HB2  TRP  83           HB2      TRP  83   3.876   2.181   7.434
  438    HB3  TRP  83           HB3      TRP  83   3.005   1.927   5.926
  439    HD1  TRP  83           HD1      TRP  83   2.592   3.532   9.376
  440    HE1  TRP  83           HE1      TRP  83   0.589   5.139   9.286
  441    HE3  TRP  83           HE3      TRP  83   0.837   2.387   4.714
  442    HZ2  TRP  83           HZ2      TRP  83  -1.458   5.834   7.473
  443    HZ3  TRP  83           HZ3      TRP  83  -1.141   3.576   3.875
  444    HH2  TRP  83           HH2      TRP  83  -2.260   5.262   5.225
  445    H    ALA  84           HN       ALA  84   1.574   0.218   5.078
  446    HA   ALA  84           HA       ALA  84  -1.165   0.633   5.602
  447    HB1  ALA  84           HB1      ALA  84   0.086  -0.972   3.366
  448    HB2  ALA  84           HB2      ALA  84  -1.588  -0.414   3.417
  449    HB3  ALA  84           HB3      ALA  84  -0.269   0.756   3.337
  450    H    VAL  85           HN       VAL  85   0.856  -2.169   5.603
  451    HA   VAL  85           HA       VAL  85  -0.985  -4.179   6.128
  452    HB   VAL  85           HB       VAL  85   1.934  -3.755   6.562
  453   HG11  VAL  85          HG11      VAL  85   1.157  -4.918   8.635
  454   HG12  VAL  85          HG12      VAL  85   0.573  -6.227   7.618
  455   HG13  VAL  85          HG13      VAL  85   2.291  -5.851   7.660
  456   HG21  VAL  85          HG21      VAL  85   2.082  -5.728   5.137
  457   HG22  VAL  85          HG22      VAL  85   0.325  -5.858   5.143
  458   HG23  VAL  85          HG23      VAL  85   1.104  -4.456   4.410
  459    H    ASN  86           HN       ASN  86   0.863  -2.205   8.526
  460    HA   ASN  86           HA       ASN  86  -0.370  -3.615  10.645
  461    HB2  ASN  86           HB2      ASN  86   1.003  -2.546  12.100
  462    HB3  ASN  86           HB3      ASN  86   1.912  -2.391  10.611
  463   HD21  ASN  86          HD21      ASN  86   0.206  -0.269   9.570
  464   HD22  ASN  86          HD22      ASN  86   0.595   1.149  10.496
  465    H    GLU  87           HN       GLU  87  -1.440  -0.908   8.832
  466    HA   GLU  87           HA       GLU  87  -3.154   0.152  10.909
  467    HB2  GLU  87           HB2      GLU  87  -3.083   0.661   7.928
  468    HB3  GLU  87           HB3      GLU  87  -4.091   1.534   9.075
  469    HG2  GLU  87           HG2      GLU  87  -1.085   1.481   9.054
  470    HG3  GLU  87           HG3      GLU  87  -2.102   2.800   8.471
  471    H    PHE  88           HN       PHE  88  -3.321  -1.923   8.122
  472    HA   PHE  88           HA       PHE  88  -6.110  -2.529   8.412
  473    HB2  PHE  88           HB2      PHE  88  -3.850  -3.352   6.683
  474    HB3  PHE  88           HB3      PHE  88  -5.158  -4.526   6.888
  475    HD1  PHE  88           HD1      PHE  88  -7.413  -4.022   6.155
  476    HD2  PHE  88           HD2      PHE  88  -4.218  -1.295   5.528
  477    HE1  PHE  88           HE1      PHE  88  -8.756  -2.837   4.486
  478    HE2  PHE  88           HE2      PHE  88  -5.560  -0.092   3.857
  479    HZ   PHE  88           HZ       PHE  88  -7.901  -0.792   3.442
  480    H    SER  89           HN       SER  89  -3.614  -3.204  10.345
  481    HA   SER  89           HA       SER  89  -2.923  -4.866  11.726
  482    HB2  SER  89           HB2      SER  89  -5.878  -5.535  11.669
  483    HB3  SER  89           HB3      SER  89  -4.729  -6.056  12.904
  484    HG   SER  89           HG       SER  89  -5.764  -3.493  12.389
  485    H    LEU  90           HN       LEU  90  -2.214  -5.551   9.276
  486    HA   LEU  90           HA       LEU  90  -3.255  -8.170   8.597
  487    HB2  LEU  90           HB2      LEU  90  -0.922  -6.693   7.371
  488    HB3  LEU  90           HB3      LEU  90  -1.842  -8.007   6.653
  489    HG   LEU  90           HG       LEU  90  -2.879  -5.218   7.233
  490   HD11  LEU  90          HD11      LEU  90  -2.260  -6.600   4.623
  491   HD12  LEU  90          HD12      LEU  90  -2.978  -4.999   4.809
  492   HD13  LEU  90          HD13      LEU  90  -1.327  -5.297   5.356
  493   HD21  LEU  90          HD21      LEU  90  -4.623  -6.913   7.486
  494   HD22  LEU  90          HD22      LEU  90  -4.883  -5.972   6.017
  495   HD23  LEU  90          HD23      LEU  90  -4.210  -7.599   5.915
  496    H    LYS  91           HN       LYS  91  -0.242  -6.716   9.659
  497    HA   LYS  91           HA       LYS  91   1.691  -7.560  10.515
  498    HB2  LYS  91           HB2      LYS  91   1.403  -8.432  12.738
  499    HB3  LYS  91           HB3      LYS  91   0.226  -7.166  12.444
  500    HG2  LYS  91           HG2      LYS  91  -0.626  -9.973  11.973
  501    HG3  LYS  91           HG3      LYS  91  -0.403  -9.444  13.640
  502    HD2  LYS  91           HD2      LYS  91  -1.970  -7.614  13.290
  503    HD3  LYS  91           HD3      LYS  91  -2.153  -8.076  11.597
  504    HE2  LYS  91           HE2      LYS  91  -2.843  -9.842  13.940
  505    HE3  LYS  91           HE3      LYS  91  -4.007  -8.856  13.057
  506    HZ1  LYS  91           HZ1      LYS  91  -3.989 -11.159  12.297
  507    HZ2  LYS  91           HZ2      LYS  91  -2.353 -11.030  11.873
  508    HZ3  LYS  91           HZ3      LYS  91  -3.518 -10.105  11.057
  509    H    GLY  92           HN       GLY  92   0.870  -9.344   8.329
  510    HA2  GLY  92           HA1      GLY  92   2.412 -11.638   9.271
  511    HA3  GLY  92           HA2      GLY  92   0.872 -11.916   8.459
  512    H    VAL  93           HN       VAL  93   3.388  -9.536   7.872
  513    HA   VAL  93           HA       VAL  93   3.404 -10.263   5.051
  514    HB   VAL  93           HB       VAL  93   3.690  -7.777   6.520
  515   HG11  VAL  93          HG11      VAL  93   5.436  -6.754   5.162
  516   HG12  VAL  93          HG12      VAL  93   6.088  -8.062   6.148
  517   HG13  VAL  93          HG13      VAL  93   5.791  -8.318   4.429
  518   HG21  VAL  93          HG21      VAL  93   2.101  -8.245   4.699
  519   HG22  VAL  93          HG22      VAL  93   3.108  -6.831   4.380
  520   HG23  VAL  93          HG23      VAL  93   3.467  -8.359   3.576
  521    H    ASP  94           HN       ASP  94   5.134 -11.188   4.092
  522    HA   ASP  94           HA       ASP  94   7.335 -11.963   5.815
  523    HB2  ASP  94           HB2      ASP  94   6.296 -13.507   4.043
  524    HB3  ASP  94           HB3      ASP  94   7.105 -12.498   2.847
  525    H    PHE  95           HN       PHE  95   8.535 -10.243   6.250
  526    HA   PHE  95           HA       PHE  95   8.829  -7.991   4.635
  527    HB2  PHE  95           HB2      PHE  95  10.539  -9.036   6.891
  528    HB3  PHE  95           HB3      PHE  95  10.828  -7.482   6.118
  529    HD1  PHE  95           HD2      PHE  95   8.438  -9.418   8.151
  530    HD2  PHE  95           HD1      PHE  95   9.487  -5.597   6.599
  531    HE1  PHE  95           HE2      PHE  95   6.797  -8.364   9.649
  532    HE2  PHE  95           HE1      PHE  95   7.849  -4.537   8.092
  533    HZ   PHE  95           HZ       PHE  95   6.500  -5.921   9.619
  534    H    GLN  96           HN       GLN  96  10.372 -11.025   4.475
  535    HA   GLN  96           HA       GLN  96  12.656 -10.003   3.002
  536    HB2  GLN  96           HB2      GLN  96  11.905 -12.808   3.793
  537    HB3  GLN  96           HB3      GLN  96  13.359 -12.382   2.908
  538    HG2  GLN  96           HG2      GLN  96  12.623 -11.567   5.706
  539    HG3  GLN  96           HG3      GLN  96  13.924 -12.648   5.211
  540   HE21  GLN  96          HE21      GLN  96  14.774 -11.011   2.975
  541   HE22  GLN  96          HE22      GLN  96  15.555  -9.626   3.645
  542    H    LYS  97           HN       LYS  97   9.558 -11.491   2.350
  543    HA   LYS  97           HA       LYS  97  10.160 -11.980  -0.416
  544    HB2  LYS  97           HB2      LYS  97   8.128 -12.781   1.219
  545    HB3  LYS  97           HB3      LYS  97   7.355 -11.430   0.396
  546    HG2  LYS  97           HG2      LYS  97   8.694 -13.702  -1.050
  547    HG3  LYS  97           HG3      LYS  97   6.982 -13.686  -0.631
  548    HD2  LYS  97           HD2      LYS  97   6.681 -11.645  -1.969
  549    HD3  LYS  97           HD3      LYS  97   8.401 -11.667  -2.375
  550    HE2  LYS  97           HE2      LYS  97   6.961 -12.610  -4.158
  551    HE3  LYS  97           HE3      LYS  97   8.152 -13.757  -3.547
  552    HZ1  LYS  97           HZ1      LYS  97   6.466 -14.840  -2.255
  553    HZ2  LYS  97           HZ2      LYS  97   5.916 -14.734  -3.855
  554    HZ3  LYS  97           HZ3      LYS  97   5.311 -13.678  -2.679
  555    H    PHE  98           HN       PHE  98   9.150  -9.440   1.640
  556    HA   PHE  98           HA       PHE  98   8.463  -7.583  -0.454
  557    HB2  PHE  98           HB2      PHE  98   8.534  -7.525   2.527
  558    HB3  PHE  98           HB3      PHE  98   8.566  -5.997   1.648
  559    HD1  PHE  98           HD1      PHE  98   6.644  -5.280   0.323
  560    HD2  PHE  98           HD2      PHE  98   6.625  -8.934   2.500
  561    HE1  PHE  98           HE1      PHE  98   4.204  -5.403   0.101
  562    HE2  PHE  98           HE2      PHE  98   4.188  -9.078   2.257
  563    HZ   PHE  98           HZ       PHE  98   2.982  -7.228   0.963
  564    H    CYS  99           HN       CYS  99  11.126  -8.799  -0.394
  565    HA   CYS  99           HA       CYS  99  13.018  -6.830   0.450
  566    HB2  CYS  99           HB2      CYS  99  13.421  -9.321   0.255
  567    HB3  CYS  99           HB3      CYS  99  13.398  -9.110  -1.494
  568    HG   CYS  99           HG       CYS  99  15.575  -7.164   0.205
  569    H    MET 100           HN       MET 100  11.907  -5.042  -0.727
  570    HA   MET 100           HA       MET 100  13.027  -4.870  -3.436
  571    HB2  MET 100           HB2      MET 100  10.492  -3.666  -2.343
  572    HB3  MET 100           HB3      MET 100  11.260  -3.059  -3.802
  573    HG2  MET 100           HG2      MET 100   9.655  -4.466  -4.622
  574    HG3  MET 100           HG3      MET 100  11.102  -5.484  -4.622
  575    HE1  MET 100           HE1      MET 100   7.733  -4.654  -2.785
  576    HE2  MET 100           HE2      MET 100   7.804  -5.752  -1.407
  577    HE3  MET 100           HE3      MET 100   8.938  -4.406  -1.521
  578    H    SER 101           HN       SER 101  14.533  -3.383  -3.705
  579    HA   SER 101           HA       SER 101  14.598  -0.995  -2.079
  580    HB2  SER 101           HB2      SER 101  15.828  -1.450  -4.822
  581    HB3  SER 101           HB3      SER 101  16.258  -0.190  -3.665
  582    HG   SER 101           HG       SER 101  16.662  -2.991  -3.416
  583    H    GLY 102           HN       GLY 102  13.890   1.123  -3.106
  584    HA2  GLY 102           HA1      GLY 102  11.256   0.929  -3.862
  585    HA3  GLY 102           HA2      GLY 102  12.254   2.338  -4.137
  586    H    ALA 103           HN       ALA 103  14.068   1.262  -6.047
  587    HA   ALA 103           HA       ALA 103  12.691   1.477  -8.445
  588    HB1  ALA 103           HB1      ALA 103  14.702   0.579  -9.492
  589    HB2  ALA 103           HB2      ALA 103  15.121   1.733  -8.227
  590    HB3  ALA 103           HB3      ALA 103  15.275   0.002  -7.926
  591    H    ALA 104           HN       ALA 104  13.576  -1.354  -6.572
  592    HA   ALA 104           HA       ALA 104  12.479  -3.277  -8.356
  593    HB1  ALA 104           HB1      ALA 104  12.737  -4.834  -6.477
  594    HB2  ALA 104           HB2      ALA 104  14.195  -3.873  -6.731
  595    HB3  ALA 104           HB3      ALA 104  13.097  -3.476  -5.408
  596    H    LEU 105           HN       LEU 105  11.289  -1.735  -5.318
  597    HA   LEU 105           HA       LEU 105   8.879  -2.800  -5.009
  598    HB2  LEU 105           HB2      LEU 105   9.825  -0.998  -3.621
  599    HB3  LEU 105           HB3      LEU 105   9.489   0.166  -4.900
  600    HG   LEU 105           HG       LEU 105   7.084  -0.390  -4.704
  601   HD11  LEU 105          HD11      LEU 105   6.385  -1.532  -2.581
  602   HD12  LEU 105          HD12      LEU 105   7.118  -2.581  -3.801
  603   HD13  LEU 105          HD13      LEU 105   8.061  -2.054  -2.404
  604   HD21  LEU 105          HD21      LEU 105   6.693   0.840  -2.681
  605   HD22  LEU 105          HD22      LEU 105   8.344   0.526  -2.140
  606   HD23  LEU 105          HD23      LEU 105   8.058   1.533  -3.559
  607    H    CYS 106           HN       CYS 106   9.480  -0.076  -7.090
  608    HA   CYS 106           HA       CYS 106   6.974   0.005  -8.286
  609    HB2  CYS 106           HB2      CYS 106   8.486   1.859  -8.365
  610    HB3  CYS 106           HB3      CYS 106   9.671   0.906  -9.255
  611    HG   CYS 106           HG       CYS 106   6.795   1.001 -10.897
  612    H    ALA 107           HN       ALA 107   9.986  -1.510  -9.480
  613    HA   ALA 107           HA       ALA 107   9.078  -2.207 -11.989
  614    HB1  ALA 107           HB1      ALA 107  11.421  -2.174 -11.320
  615    HB2  ALA 107           HB2      ALA 107  11.162  -3.620 -10.347
  616    HB3  ALA 107           HB3      ALA 107  10.983  -3.694 -12.099
  617    H    LEU 108           HN       LEU 108   8.443  -3.916  -8.966
  618    HA   LEU 108           HA       LEU 108   8.033  -6.453 -10.031
  619    HB2  LEU 108           HB2      LEU 108   6.371  -6.703  -8.036
  620    HB3  LEU 108           HB3      LEU 108   8.085  -6.535  -7.748
  621    HG   LEU 108           HG       LEU 108   7.671  -4.085  -7.295
  622   HD11  LEU 108          HD11      LEU 108   4.790  -4.978  -7.370
  623   HD12  LEU 108          HD12      LEU 108   5.355  -3.497  -6.580
  624   HD13  LEU 108          HD13      LEU 108   5.550  -3.700  -8.321
  625   HD21  LEU 108          HD21      LEU 108   8.083  -5.671  -5.536
  626   HD22  LEU 108          HD22      LEU 108   6.839  -4.531  -5.027
  627   HD23  LEU 108          HD23      LEU 108   6.388  -6.158  -5.534
  628    H    GLY 109           HN       GLY 109   5.768  -3.738  -9.896
  629    HA2  GLY 109           HA1      GLY 109   3.734  -3.465 -10.978
  630    HA3  GLY 109           HA2      GLY 109   4.036  -4.977 -11.833
  631    H    LYS 110           HN       LYS 110   1.512  -4.135 -10.616
  632    HA   LYS 110           HA       LYS 110   1.098  -5.236  -8.116
  633    HB2  LYS 110           HB2      LYS 110  -1.150  -4.965  -8.436
  634    HB3  LYS 110           HB3      LYS 110  -0.512  -3.882  -9.657
  635    HG2  LYS 110           HG2      LYS 110  -1.847  -4.901 -11.101
  636    HG3  LYS 110           HG3      LYS 110  -0.792  -6.307 -10.966
  637    HD2  LYS 110           HD2      LYS 110  -2.739  -6.052  -8.802
  638    HD3  LYS 110           HD3      LYS 110  -3.462  -6.282 -10.395
  639    HE2  LYS 110           HE2      LYS 110  -1.263  -8.064  -9.331
  640    HE3  LYS 110           HE3      LYS 110  -2.973  -8.390  -9.042
  641    HZ1  LYS 110           HZ1      LYS 110  -2.115  -9.596 -10.965
  642    HZ2  LYS 110           HZ2      LYS 110  -1.713  -8.131 -11.728
  643    HZ3  LYS 110           HZ3      LYS 110  -3.337  -8.507 -11.416
  644    H    GLU 111           HN       GLU 111   1.049  -6.912 -11.262
  645    HA   GLU 111           HA       GLU 111   0.134  -9.376 -10.520
  646    HB2  GLU 111           HB2      GLU 111   1.780 -10.306 -12.224
  647    HB3  GLU 111           HB3      GLU 111   0.666  -9.073 -12.790
  648    HG2  GLU 111           HG2      GLU 111   3.298  -8.142 -11.826
  649    HG3  GLU 111           HG3      GLU 111   3.273  -9.052 -13.334
  650    H    CYS 112           HN       CYS 112   3.468  -8.221 -10.130
  651    HA   CYS 112           HA       CYS 112   4.280 -10.644  -8.825
  652    HB2  CYS 112           HB2      CYS 112   5.917  -9.366 -10.109
  653    HB3  CYS 112           HB3      CYS 112   5.683  -7.975  -9.058
  654    HG   CYS 112           HG       CYS 112   7.304 -10.899  -8.370
  655    H    PHE 113           HN       PHE 113   3.753  -7.270  -7.762
  656    HA   PHE 113           HA       PHE 113   4.298  -7.572  -5.104
  657    HB2  PHE 113           HB2      PHE 113   3.631  -5.455  -6.464
  658    HB3  PHE 113           HB3      PHE 113   1.995  -5.833  -5.942
  659    HD1  PHE 113           HD2      PHE 113   1.708  -6.254  -3.333
  660    HD2  PHE 113           HD1      PHE 113   4.943  -4.129  -5.143
  661    HE1  PHE 113           HE2      PHE 113   2.125  -5.062  -1.235
  662    HE2  PHE 113           HE1      PHE 113   5.347  -2.950  -3.037
  663    HZ   PHE 113           HZ       PHE 113   4.018  -3.637  -0.985
  664    H    LEU 114           HN       LEU 114   1.143  -8.226  -6.648
  665    HA   LEU 114           HA       LEU 114  -0.045  -8.714  -4.069
  666    HB2  LEU 114           HB2      LEU 114  -1.336  -9.617  -6.605
  667    HB3  LEU 114           HB3      LEU 114  -2.074  -9.066  -5.113
  668    HG   LEU 114           HG       LEU 114  -0.983  -7.486  -7.383
  669   HD11  LEU 114          HD11      LEU 114  -3.416  -7.370  -5.629
  670   HD12  LEU 114          HD12      LEU 114  -3.025  -6.148  -6.840
  671   HD13  LEU 114          HD13      LEU 114  -3.329  -7.813  -7.334
  672   HD21  LEU 114          HD21      LEU 114  -0.847  -5.471  -6.094
  673   HD22  LEU 114          HD22      LEU 114  -1.270  -6.344  -4.619
  674   HD23  LEU 114          HD23      LEU 114   0.264  -6.670  -5.425
  675    H    GLU 115           HN       GLU 115   1.586 -10.575  -6.433
  676    HA   GLU 115           HA       GLU 115   0.926 -13.085  -5.185
  677    HB2  GLU 115           HB2      GLU 115   2.948 -12.280  -7.269
  678    HB3  GLU 115           HB3      GLU 115   2.842 -13.917  -6.636
  679    HG2  GLU 115           HG2      GLU 115   0.532 -12.486  -7.915
  680    HG3  GLU 115           HG3      GLU 115   1.652 -13.523  -8.802
  681    H    LEU 116           HN       LEU 116   2.809 -10.484  -4.500
  682    HA   LEU 116           HA       LEU 116   5.060 -11.885  -3.318
  683    HB2  LEU 116           HB2      LEU 116   5.915 -10.081  -4.370
  684    HB3  LEU 116           HB3      LEU 116   4.427  -9.163  -4.245
  685    HG   LEU 116           HG       LEU 116   5.953  -9.498  -1.735
  686   HD11  LEU 116          HD11      LEU 116   6.914  -7.758  -3.993
  687   HD12  LEU 116          HD12      LEU 116   7.513  -7.716  -2.335
  688   HD13  LEU 116          HD13      LEU 116   7.763  -9.152  -3.326
  689   HD21  LEU 116          HD21      LEU 116   5.301  -7.176  -1.459
  690   HD22  LEU 116          HD22      LEU 116   4.638  -7.164  -3.094
  691   HD23  LEU 116          HD23      LEU 116   3.907  -8.185  -1.853
  692    H    ALA 117           HN       ALA 117   2.114 -10.344  -2.433
  693    HA   ALA 117           HA       ALA 117   2.608 -11.120   0.369
  694    HB1  ALA 117           HB1      ALA 117   1.215  -9.209   1.097
  695    HB2  ALA 117           HB2      ALA 117   2.676  -8.683   0.255
  696    HB3  ALA 117           HB3      ALA 117   1.122  -8.661  -0.580
  697    HA   PRO 118           HA       PRO 118  -1.604 -12.969   0.253
  698    HB2  PRO 118           HB2      PRO 118  -2.526 -10.657   1.904
  699    HB3  PRO 118           HB3      PRO 118  -2.861 -12.381   2.105
  700    HG2  PRO 118           HG2      PRO 118  -1.096 -11.160   3.677
  701    HG3  PRO 118           HG3      PRO 118  -0.801 -12.806   3.084
  702    HD2  PRO 118           HD2      PRO 118   0.432 -10.234   2.231
  703    HD3  PRO 118           HD3      PRO 118   1.133 -11.866   2.272
  704    H    ASP 119           HN       ASP 119  -3.261 -12.698  -1.136
  705    HA   ASP 119           HA       ASP 119  -3.022 -10.908  -3.205
  706    HB2  ASP 119           HB2      ASP 119  -5.275 -11.639  -3.933
  707    HB3  ASP 119           HB3      ASP 119  -4.207 -12.969  -3.500
  708    H    PHE 120           HN       PHE 120  -4.688 -10.263  -0.190
  709    HA   PHE 120           HA       PHE 120  -6.074  -7.996  -1.371
  710    HB2  PHE 120           HB2      PHE 120  -7.285  -9.372   0.304
  711    HB3  PHE 120           HB3      PHE 120  -6.067  -8.934   1.495
  712    HD1  PHE 120           HD1      PHE 120  -7.490  -6.656  -1.026
  713    HD2  PHE 120           HD2      PHE 120  -7.465  -7.841   3.064
  714    HE1  PHE 120           HE1      PHE 120  -8.802  -4.659  -0.443
  715    HE2  PHE 120           HE2      PHE 120  -8.778  -5.847   3.650
  716    HZ   PHE 120           HZ       PHE 120  -9.421  -4.249   1.942
  717    H    VAL 121           HN       VAL 121  -3.442  -8.843   0.679
  718    HA   VAL 121           HA       VAL 121  -2.947  -6.250   1.720
  719    HB   VAL 121           HB       VAL 121  -1.256  -8.742   1.658
  720   HG11  VAL 121          HG11      VAL 121  -0.982  -6.246   3.328
  721   HG12  VAL 121          HG12      VAL 121  -0.018  -7.714   3.505
  722   HG13  VAL 121          HG13      VAL 121   0.100  -6.750   2.030
  723   HG21  VAL 121          HG21      VAL 121  -3.038  -7.614   3.802
  724   HG22  VAL 121          HG22      VAL 121  -3.473  -8.936   2.711
  725   HG23  VAL 121          HG23      VAL 121  -2.142  -9.136   3.864
  726    H    GLY 122           HN       GLY 122  -1.501  -8.275  -0.815
  727    HA2  GLY 122           HA1      GLY 122   0.546  -6.598  -1.621
  728    HA3  GLY 122           HA2      GLY 122  -0.364  -7.662  -2.690
  729    H    ASP 123           HN       ASP 123  -2.901  -6.533  -2.529
  730    HA   ASP 123           HA       ASP 123  -2.538  -4.340  -4.338
  731    HB2  ASP 123           HB2      ASP 123  -4.272  -6.055  -4.719
  732    HB3  ASP 123           HB3      ASP 123  -5.089  -5.548  -3.241
  733    H    ILE 124           HN       ILE 124  -3.800  -4.783  -1.059
  734    HA   ILE 124           HA       ILE 124  -4.424  -2.208  -0.375
  735    HB   ILE 124           HB       ILE 124  -3.163  -4.459   1.133
  736   HG12  ILE 124          HG12      ILE 124  -5.707  -2.860   1.510
  737   HG13  ILE 124          HG13      ILE 124  -5.581  -4.424   0.708
  738   HG21  ILE 124          HG21      ILE 124  -2.044  -2.457   2.019
  739   HG22  ILE 124          HG22      ILE 124  -3.612  -1.704   2.308
  740   HG23  ILE 124          HG23      ILE 124  -3.151  -3.152   3.206
  741   HD11  ILE 124          HD11      ILE 124  -4.961  -3.880   3.603
  742   HD12  ILE 124          HD12      ILE 124  -6.422  -4.648   2.977
  743   HD13  ILE 124          HD13      ILE 124  -4.859  -5.447   2.795
  744    H    LEU 125           HN       LEU 125  -1.219  -3.623   0.098
  745    HA   LEU 125           HA       LEU 125   0.111  -1.216   0.458
  746    HB2  LEU 125           HB2      LEU 125   0.833  -4.008  -0.186
  747    HB3  LEU 125           HB3      LEU 125   2.052  -2.780  -0.513
  748    HG   LEU 125           HG       LEU 125   0.672  -3.051   2.143
  749   HD11  LEU 125          HD11      LEU 125   2.699  -4.182   2.910
  750   HD12  LEU 125          HD12      LEU 125   1.873  -5.116   1.663
  751   HD13  LEU 125          HD13      LEU 125   3.317  -4.188   1.259
  752   HD21  LEU 125          HD21      LEU 125   2.568  -1.709   2.899
  753   HD22  LEU 125          HD22      LEU 125   3.195  -1.666   1.248
  754   HD23  LEU 125          HD23      LEU 125   1.660  -0.880   1.630
  755    H    TRP 126           HN       TRP 126  -0.597  -3.032  -2.481
  756    HA   TRP 126           HA       TRP 126   0.961  -1.484  -4.218
  757    HB2  TRP 126           HB2      TRP 126   0.126  -3.568  -5.036
  758    HB3  TRP 126           HB3      TRP 126  -1.547  -3.081  -4.743
  759    HD1  TRP 126           HD1      TRP 126  -2.773  -2.030  -6.713
  760    HE1  TRP 126           HE1      TRP 126  -2.077  -0.944  -8.954
  761    HE3  TRP 126           HE3      TRP 126   2.289  -2.352  -6.219
  762    HZ2  TRP 126           HZ2      TRP 126   0.332  -0.357 -10.332
  763    HZ3  TRP 126           HZ3      TRP 126   3.722  -1.529  -8.045
  764    HH2  TRP 126           HH2      TRP 126   2.756  -0.558 -10.063
  765    H    GLU 127           HN       GLU 127  -2.436  -1.033  -3.157
  766    HA   GLU 127           HA       GLU 127  -3.013   1.205  -4.697
  767    HB2  GLU 127           HB2      GLU 127  -4.031   0.131  -2.165
  768    HB3  GLU 127           HB3      GLU 127  -4.172   1.881  -2.304
  769    HG2  GLU 127           HG2      GLU 127  -5.162  -0.047  -4.381
  770    HG3  GLU 127           HG3      GLU 127  -6.156   0.596  -3.077
  771    H    HIS 128           HN       HIS 128  -1.733   1.214  -1.349
  772    HA   HIS 128           HA       HIS 128  -1.167   3.975  -1.439
  773    HB2  HIS 128           HB2      HIS 128  -1.130   2.485   0.655
  774    HB3  HIS 128           HB3      HIS 128   0.519   2.066   0.184
  775    HD1  HIS 128           HD1      HIS 128   0.783   3.361   2.682
  776    HD2  HIS 128           HD2      HIS 128   0.061   5.672  -0.707
  777    HE1  HIS 128           HE1      HIS 128   1.414   5.710   3.326
  778    HE2  HIS 128           HE2      HIS 128   1.029   7.090   1.251
  779    H    LEU 129           HN       LEU 129   0.742   1.204  -2.557
  780    HA   LEU 129           HA       LEU 129   3.117   2.489  -3.118
  781    HB2  LEU 129           HB2      LEU 129   2.687   0.065  -3.417
  782    HB3  LEU 129           HB3      LEU 129   1.671   0.428  -4.800
  783    HG   LEU 129           HG       LEU 129   3.470   0.906  -6.169
  784   HD11  LEU 129          HD11      LEU 129   5.143   1.327  -3.697
  785   HD12  LEU 129          HD12      LEU 129   5.648   1.590  -5.366
  786   HD13  LEU 129          HD13      LEU 129   4.402   2.614  -4.650
  787   HD21  LEU 129          HD21      LEU 129   5.074  -0.838  -5.896
  788   HD22  LEU 129          HD22      LEU 129   4.740  -0.944  -4.165
  789   HD23  LEU 129          HD23      LEU 129   3.519  -1.449  -5.333
  790    H    GLU 130           HN       GLU 130   0.194   2.193  -5.047
  791    HA   GLU 130           HA       GLU 130   1.036   3.899  -7.075
  792    HB2  GLU 130           HB2      GLU 130  -1.547   2.738  -6.173
  793    HB3  GLU 130           HB3      GLU 130  -1.656   4.174  -7.187
  794    HG2  GLU 130           HG2      GLU 130  -0.085   1.736  -7.964
  795    HG3  GLU 130           HG3      GLU 130  -1.791   1.951  -8.353
  796    H    ILE 131           HN       ILE 131  -0.933   4.486  -4.212
  797    HA   ILE 131           HA       ILE 131  -1.549   7.154  -4.553
  798    HB   ILE 131           HB       ILE 131  -1.150   5.427  -2.172
  799   HG12  ILE 131          HG12      ILE 131  -3.498   5.824  -1.801
  800   HG13  ILE 131          HG13      ILE 131  -3.512   7.137  -2.972
  801   HG21  ILE 131          HG21      ILE 131  -0.248   7.496  -1.347
  802   HG22  ILE 131          HG22      ILE 131  -1.589   8.410  -2.040
  803   HG23  ILE 131          HG23      ILE 131  -1.877   7.304  -0.694
  804   HD11  ILE 131          HD11      ILE 131  -4.564   5.317  -4.004
  805   HD12  ILE 131          HD12      ILE 131  -2.956   5.423  -4.720
  806   HD13  ILE 131          HD13      ILE 131  -3.307   4.187  -3.497
  807    H    LEU 132           HN       LEU 132   1.422   5.761  -3.203
  808    HA   LEU 132           HA       LEU 132   2.678   8.090  -2.373
  809    HB2  LEU 132           HB2      LEU 132   4.151   5.868  -3.754
  810    HB3  LEU 132           HB3      LEU 132   4.759   6.945  -2.513
  811    HG   LEU 132           HG       LEU 132   2.513   5.079  -1.900
  812   HD11  LEU 132          HD11      LEU 132   4.227   3.734  -3.001
  813   HD12  LEU 132          HD12      LEU 132   5.460   4.400  -1.930
  814   HD13  LEU 132          HD13      LEU 132   4.178   3.383  -1.272
  815   HD21  LEU 132          HD21      LEU 132   4.824   6.181  -0.267
  816   HD22  LEU 132          HD22      LEU 132   3.160   6.769  -0.232
  817   HD23  LEU 132          HD23      LEU 132   3.534   5.142   0.340
  818    H    GLN 133           HN       GLN 133   2.583   6.560  -5.503
  819    HA   GLN 133           HA       GLN 133   4.379   8.527  -6.605
  820    HB2  GLN 133           HB2      GLN 133   4.220   7.303  -8.708
  821    HB3  GLN 133           HB3      GLN 133   4.613   6.229  -7.377
  822    HG2  GLN 133           HG2      GLN 133   2.025   5.846  -7.341
  823    HG3  GLN 133           HG3      GLN 133   2.144   6.411  -9.007
  824   HE21  GLN 133          HE21      GLN 133   3.036   3.941  -6.741
  825   HE22  GLN 133          HE22      GLN 133   3.473   2.748  -7.909
  826    H    LYS 134           HN       LYS 134   0.924   7.984  -6.376
  827    HA   LYS 134           HA       LYS 134   0.163   9.969  -8.144
  828    HB2  LYS 134           HB2      LYS 134  -1.075   8.693  -5.719
  829    HB3  LYS 134           HB3      LYS 134  -1.875  10.050  -6.535
  830    HG2  LYS 134           HG2      LYS 134  -2.630   8.698  -8.109
  831    HG3  LYS 134           HG3      LYS 134  -0.993   8.134  -8.465
  832    HD2  LYS 134           HD2      LYS 134  -1.960   6.184  -7.778
  833    HD3  LYS 134           HD3      LYS 134  -1.293   6.794  -6.243
  834    HE2  LYS 134           HE2      LYS 134  -3.591   6.009  -5.950
  835    HE3  LYS 134           HE3      LYS 134  -3.490   7.749  -5.696
  836    HZ1  LYS 134           HZ1      LYS 134  -4.347   6.516  -8.254
  837    HZ2  LYS 134           HZ2      LYS 134  -4.464   8.150  -7.805
  838    HZ3  LYS 134           HZ3      LYS 134  -5.427   6.988  -7.038
  839    H    GLU 135           HN       GLU 135   1.639  10.300  -4.979
  840    HA   GLU 135           HA       GLU 135   0.961  12.944  -4.469
  841    HB2  GLU 135           HB2      GLU 135   3.417  11.321  -3.935
  842    HB3  GLU 135           HB3      GLU 135   3.421  13.044  -3.581
  843    HG2  GLU 135           HG2      GLU 135   1.474  11.034  -2.468
  844    HG3  GLU 135           HG3      GLU 135   2.862  11.706  -1.614
  845    H    ASP 136           HN       ASP 136   2.910  11.591  -6.961
  846    HA   ASP 136           HA       ASP 136   3.476  14.300  -7.970
  847    HB2  ASP 136           HB2      ASP 136   5.253  12.014  -7.582
  848    HB3  ASP 136           HB3      ASP 136   5.289  12.613  -9.237
  849    H    VAL 137           HN       VAL 137   1.109  12.697  -8.410
  850    HA   VAL 137           HA       VAL 137   1.378  11.530 -11.044
  851    HB   VAL 137           HB       VAL 137  -0.173  10.602  -9.281
  852   HG11  VAL 137          HG11      VAL 137  -2.383  11.612  -9.019
  853   HG12  VAL 137          HG12      VAL 137  -1.113  12.697  -8.456
  854   HG13  VAL 137          HG13      VAL 137  -1.883  12.978 -10.019
  855   HG21  VAL 137          HG21      VAL 137  -0.351   9.965 -11.632
  856   HG22  VAL 137          HG22      VAL 137  -1.934  10.013 -10.855
  857   HG23  VAL 137          HG23      VAL 137  -1.435  11.327 -11.922
  858    H    LYS 138           HN       LYS 138   0.471  12.320 -12.944
  859    HA   LYS 138           HA       LYS 138  -0.274  15.167 -12.874
  860    HB2  LYS 138           HB2      LYS 138   1.848  14.588 -14.096
  861    HB3  LYS 138           HB3      LYS 138   0.885  13.624 -15.204
  862    HG2  LYS 138           HG2      LYS 138  -0.376  15.651 -15.829
  863    HG3  LYS 138           HG3      LYS 138   0.676  16.597 -14.778
  864    HD2  LYS 138           HD2      LYS 138   1.696  16.893 -16.821
  865    HD3  LYS 138           HD3      LYS 138   2.588  15.509 -16.191
  866    HE2  LYS 138           HE2      LYS 138   0.249  15.369 -18.090
  867    HE3  LYS 138           HE3      LYS 138   1.941  15.235 -18.554
  868    HZ1  LYS 138           HZ1      LYS 138   0.965  13.066 -18.387
  869    HZ2  LYS 138           HZ2      LYS 138   0.438  13.360 -16.809
  870    HZ3  LYS 138           HZ3      LYS 138   2.095  13.244 -17.133
  Start of MODEL   19
    1    H1   MET  29           H1       MET  29 -29.575   0.323  -2.843
    2    H2   MET  29           H2       MET  29 -28.516  -0.913  -3.318
    3    H3   MET  29           H3       MET  29 -29.280   0.047  -4.491
    4    HA   MET  29           HA       MET  29 -28.108   1.999  -3.625
    5    HB2  MET  29           HB2      MET  29 -26.762  -0.121  -1.943
    6    HB3  MET  29           HB3      MET  29 -26.079   1.477  -2.205
    7    HG2  MET  29           HG2      MET  29 -28.792   1.002  -0.998
    8    HG3  MET  29           HG3      MET  29 -27.313   1.180  -0.056
    9    HE1  MET  29           HE1      MET  29 -25.715   3.416  -1.682
   10    HE2  MET  29           HE2      MET  29 -26.251   4.849  -0.805
   11    HE3  MET  29           HE3      MET  29 -25.888   3.361   0.071
   12    H    GLU  30           HN       GLU  30 -27.812   1.842  -5.874
   13    HA   GLU  30           HA       GLU  30 -25.137   1.381  -6.652
   14    HB2  GLU  30           HB2      GLU  30 -25.923  -0.992  -6.648
   15    HB3  GLU  30           HB3      GLU  30 -27.135  -0.557  -7.848
   16    HG2  GLU  30           HG2      GLU  30 -25.395   0.046  -9.424
   17    HG3  GLU  30           HG3      GLU  30 -24.155  -0.306  -8.223
   18    H    CYS  31           HN       CYS  31 -24.675   2.440  -8.532
   19    HA   CYS  31           HA       CYS  31 -26.839   3.377 -10.241
   20    HB2  CYS  31           HB2      CYS  31 -26.662   5.111  -8.509
   21    HB3  CYS  31           HB3      CYS  31 -24.931   5.241  -8.798
   22    HG   CYS  31           HG       CYS  31 -26.731   7.364  -9.870
   23    H    ALA  32           HN       ALA  32 -26.121   3.977 -12.313
   24    HA   ALA  32           HA       ALA  32 -23.726   2.655 -13.152
   25    HB1  ALA  32           HB1      ALA  32 -25.540   4.468 -14.737
   26    HB2  ALA  32           HB2      ALA  32 -24.345   3.344 -15.387
   27    HB3  ALA  32           HB3      ALA  32 -25.762   2.730 -14.533
   28    H    ASP  33           HN       ASP  33 -24.432   5.790 -12.057
   29    HA   ASP  33           HA       ASP  33 -22.282   7.138 -13.407
   30    HB2  ASP  33           HB2      ASP  33 -24.228   8.404 -12.664
   31    HB3  ASP  33           HB3      ASP  33 -23.937   7.922 -10.997
   32    H    VAL  34           HN       VAL  34 -22.743   5.508 -10.340
   33    HA   VAL  34           HA       VAL  34 -19.870   5.795  -9.812
   34    HB   VAL  34           HB       VAL  34 -20.526   5.693  -7.319
   35   HG11  VAL  34          HG11      VAL  34 -21.091   8.173  -8.940
   36   HG12  VAL  34          HG12      VAL  34 -20.740   8.129  -7.212
   37   HG13  VAL  34          HG13      VAL  34 -19.508   7.637  -8.375
   38   HG21  VAL  34          HG21      VAL  34 -23.120   6.703  -8.489
   39   HG22  VAL  34          HG22      VAL  34 -22.892   5.178  -7.630
   40   HG23  VAL  34          HG23      VAL  34 -22.692   6.711  -6.777
   41    HA   PRO  35           HA       PRO  35 -20.425   1.309 -10.062
   42    HB2  PRO  35           HB2      PRO  35 -17.496   1.499  -9.609
   43    HB3  PRO  35           HB3      PRO  35 -18.388   0.624 -10.859
   44    HG2  PRO  35           HG2      PRO  35 -17.078   2.854 -11.454
   45    HG3  PRO  35           HG3      PRO  35 -18.667   2.519 -12.169
   46    HD2  PRO  35           HD2      PRO  35 -17.954   4.352  -9.907
   47    HD3  PRO  35           HD3      PRO  35 -19.088   4.609 -11.251
   48    H    LEU  36           HN       LEU  36 -20.857  -0.005  -8.436
   49    HA   LEU  36           HA       LEU  36 -19.480   0.371  -5.865
   50    HB2  LEU  36           HB2      LEU  36 -22.452   0.054  -6.293
   51    HB3  LEU  36           HB3      LEU  36 -21.667  -0.095  -4.732
   52    HG   LEU  36           HG       LEU  36 -21.654   2.409  -6.426
   53   HD11  LEU  36          HD11      LEU  36 -23.205   3.299  -4.758
   54   HD12  LEU  36          HD12      LEU  36 -23.893   1.909  -5.598
   55   HD13  LEU  36          HD13      LEU  36 -23.256   1.726  -3.964
   56   HD21  LEU  36          HD21      LEU  36 -20.779   3.468  -4.407
   57   HD22  LEU  36          HD22      LEU  36 -20.748   1.902  -3.595
   58   HD23  LEU  36          HD23      LEU  36 -19.699   2.197  -4.982
   59    H    LEU  37           HN       LEU  37 -19.907  -1.523  -4.373
   60    HA   LEU  37           HA       LEU  37 -20.684  -4.016  -5.543
   61    HB2  LEU  37           HB2      LEU  37 -18.584  -5.165  -5.446
   62    HB3  LEU  37           HB3      LEU  37 -18.381  -3.750  -6.456
   63    HG   LEU  37           HG       LEU  37 -17.540  -3.788  -3.561
   64   HD11  LEU  37          HD11      LEU  37 -16.370  -5.580  -4.737
   65   HD12  LEU  37          HD12      LEU  37 -15.874  -4.443  -5.991
   66   HD13  LEU  37          HD13      LEU  37 -15.275  -4.255  -4.342
   67   HD21  LEU  37          HD21      LEU  37 -17.782  -1.578  -4.542
   68   HD22  LEU  37          HD22      LEU  37 -16.077  -1.948  -4.285
   69   HD23  LEU  37          HD23      LEU  37 -16.766  -2.051  -5.905
   70    H    THR  38           HN       THR  38 -20.504  -5.791  -3.942
   71    HA   THR  38           HA       THR  38 -21.294  -4.979  -1.361
   72    HB   THR  38           HB       THR  38 -21.960  -7.149  -2.284
   73    HG1  THR  38           HG1      THR  38 -20.928  -8.386  -0.274
   74   HG21  THR  38          HG21      THR  38 -19.877  -7.714  -3.459
   75   HG22  THR  38          HG22      THR  38 -20.401  -9.022  -2.400
   76   HG23  THR  38          HG23      THR  38 -19.075  -7.970  -1.908
   77    HA   PRO  39           HA       PRO  39 -17.325  -4.091   0.318
   78    HB2  PRO  39           HB2      PRO  39 -18.663  -3.671   2.861
   79    HB3  PRO  39           HB3      PRO  39 -17.952  -2.478   1.771
   80    HG2  PRO  39           HG2      PRO  39 -20.628  -2.680   2.202
   81    HG3  PRO  39           HG3      PRO  39 -19.924  -2.095   0.680
   82    HD2  PRO  39           HD2      PRO  39 -20.988  -4.819   1.354
   83    HD3  PRO  39           HD3      PRO  39 -21.228  -3.851  -0.120
   84    H    SER  40           HN       SER  40 -16.377  -6.109   0.312
   85    HA   SER  40           HA       SER  40 -16.515  -7.437   2.919
   86    HB2  SER  40           HB2      SER  40 -16.341  -8.843   0.243
   87    HB3  SER  40           HB3      SER  40 -16.242  -9.630   1.819
   88    HG   SER  40           HG       SER  40 -18.413  -8.291   2.001
   89    H    SER  41           HN       SER  41 -14.598  -7.554  -0.123
   90    HA   SER  41           HA       SER  41 -12.190  -7.684   1.492
   91    HB2  SER  41           HB2      SER  41 -12.551  -7.780  -1.507
   92    HB3  SER  41           HB3      SER  41 -11.027  -8.028  -0.655
   93    HG   SER  41           HG       SER  41 -11.843  -9.882   0.266
   94    H    LYS  42           HN       LYS  42 -13.255  -5.594  -1.255
   95    HA   LYS  42           HA       LYS  42 -10.871  -4.016  -0.731
   96    HB2  LYS  42           HB2      LYS  42 -11.510  -4.746  -3.047
   97    HB3  LYS  42           HB3      LYS  42 -12.820  -3.578  -2.976
   98    HG2  LYS  42           HG2      LYS  42 -10.630  -2.089  -2.205
   99    HG3  LYS  42           HG3      LYS  42  -9.974  -3.171  -3.434
  100    HD2  LYS  42           HD2      LYS  42 -10.726  -1.164  -4.522
  101    HD3  LYS  42           HD3      LYS  42 -11.814  -2.480  -4.967
  102    HE2  LYS  42           HE2      LYS  42 -13.443  -1.708  -3.325
  103    HE3  LYS  42           HE3      LYS  42 -12.343  -0.429  -2.813
  104    HZ1  LYS  42           HZ1      LYS  42 -14.021   0.420  -4.322
  105    HZ2  LYS  42           HZ2      LYS  42 -13.556  -0.695  -5.516
  106    HZ3  LYS  42           HZ3      LYS  42 -12.484   0.525  -5.032
  107    H    GLU  43           HN       GLU  43 -14.350  -3.581  -0.335
  108    HA   GLU  43           HA       GLU  43 -14.371  -0.772  -0.426
  109    HB2  GLU  43           HB2      GLU  43 -16.118  -2.757   0.990
  110    HB3  GLU  43           HB3      GLU  43 -16.344  -1.028   1.218
  111    HG2  GLU  43           HG2      GLU  43 -16.536  -2.550  -1.367
  112    HG3  GLU  43           HG3      GLU  43 -17.852  -1.818  -0.444
  113    H    MET  44           HN       MET  44 -13.385  -2.992   2.043
  114    HA   MET  44           HA       MET  44 -13.295  -1.200   4.191
  115    HB2  MET  44           HB2      MET  44 -11.739  -3.724   3.631
  116    HB3  MET  44           HB3      MET  44 -11.624  -2.837   5.149
  117    HG2  MET  44           HG2      MET  44 -13.173  -4.694   5.360
  118    HG3  MET  44           HG3      MET  44 -14.022  -3.157   5.522
  119    HE1  MET  44           HE1      MET  44 -16.914  -4.945   3.748
  120    HE2  MET  44           HE2      MET  44 -15.921  -5.538   5.088
  121    HE3  MET  44           HE3      MET  44 -16.408  -3.841   5.034
  122    H    MET  45           HN       MET  45 -10.685  -2.183   1.914
  123    HA   MET  45           HA       MET  45  -8.873  -0.227   2.899
  124    HB2  MET  45           HB2      MET  45  -7.518  -0.619   0.964
  125    HB3  MET  45           HB3      MET  45  -8.149  -2.174   1.512
  126    HG2  MET  45           HG2      MET  45  -9.948  -1.913  -0.231
  127    HG3  MET  45           HG3      MET  45  -9.033  -0.531  -0.839
  128    HE1  MET  45           HE1      MET  45  -6.594  -0.694  -1.778
  129    HE2  MET  45           HE2      MET  45  -6.027  -1.566  -0.355
  130    HE3  MET  45           HE3      MET  45  -5.695  -2.203  -1.966
  131    H    SER  46           HN       SER  46 -11.334  -0.154   0.385
  132    HA   SER  46           HA       SER  46 -10.767   2.237  -0.833
  133    HB2  SER  46           HB2      SER  46 -12.593   0.724  -1.489
  134    HB3  SER  46           HB3      SER  46 -13.502   1.194  -0.056
  135    HG   SER  46           HG       SER  46 -13.976   2.290  -2.151
  136    H    GLN  47           HN       GLN  47 -12.852   1.813   2.036
  137    HA   GLN  47           HA       GLN  47 -12.782   4.625   2.573
  138    HB2  GLN  47           HB2      GLN  47 -13.957   3.982   4.724
  139    HB3  GLN  47           HB3      GLN  47 -14.786   3.606   3.223
  140    HG2  GLN  47           HG2      GLN  47 -13.967   1.265   3.434
  141    HG3  GLN  47           HG3      GLN  47 -13.313   1.693   5.016
  142   HE21  GLN  47          HE21      GLN  47 -15.414  -0.216   4.223
  143   HE22  GLN  47          HE22      GLN  47 -16.817   0.231   5.133
  144    H    ALA  48           HN       ALA  48 -11.191   1.795   4.096
  145    HA   ALA  48           HA       ALA  48 -10.029   3.376   6.162
  146    HB1  ALA  48           HB1      ALA  48  -8.764   1.412   6.764
  147    HB2  ALA  48           HB2      ALA  48 -10.436   0.966   6.420
  148    HB3  ALA  48           HB3      ALA  48  -9.170   0.643   5.232
  149    H    LEU  49           HN       LEU  49  -8.590   1.936   3.177
  150    HA   LEU  49           HA       LEU  49  -5.953   2.737   3.893
  151    HB2  LEU  49           HB2      LEU  49  -7.241   1.245   1.775
  152    HB3  LEU  49           HB3      LEU  49  -6.124   2.421   1.102
  153    HG   LEU  49           HG       LEU  49  -5.529   0.123   2.917
  154   HD11  LEU  49          HD11      LEU  49  -5.659  -0.201   0.487
  155   HD12  LEU  49          HD12      LEU  49  -4.394   1.008   0.278
  156   HD13  LEU  49          HD13      LEU  49  -4.041  -0.497   1.130
  157   HD21  LEU  49          HD21      LEU  49  -3.167   0.943   2.940
  158   HD22  LEU  49          HD22      LEU  49  -3.755   2.481   2.316
  159   HD23  LEU  49          HD23      LEU  49  -4.282   1.916   3.898
  160    H    LYS  50           HN       LYS  50  -8.253   3.815   1.434
  161    HA   LYS  50           HA       LYS  50  -6.552   5.706   0.328
  162    HB2  LYS  50           HB2      LYS  50  -9.571   5.825   0.280
  163    HB3  LYS  50           HB3      LYS  50  -8.453   6.484  -0.909
  164    HG2  LYS  50           HG2      LYS  50  -8.906   3.571  -0.309
  165    HG3  LYS  50           HG3      LYS  50  -9.457   4.449  -1.737
  166    HD2  LYS  50           HD2      LYS  50  -6.547   4.203  -0.978
  167    HD3  LYS  50           HD3      LYS  50  -7.361   3.049  -2.035
  168    HE2  LYS  50           HE2      LYS  50  -7.291   6.014  -2.558
  169    HE3  LYS  50           HE3      LYS  50  -6.081   4.891  -3.181
  170    HZ1  LYS  50           HZ1      LYS  50  -7.816   5.306  -4.809
  171    HZ2  LYS  50           HZ2      LYS  50  -9.002   4.769  -3.724
  172    HZ3  LYS  50           HZ3      LYS  50  -7.836   3.682  -4.314
  173    H    ALA  51           HN       ALA  51  -8.745   5.892   3.019
  174    HA   ALA  51           HA       ALA  51  -8.421   8.733   3.412
  175    HB1  ALA  51           HB1      ALA  51 -10.452   7.567   4.146
  176    HB2  ALA  51           HB2      ALA  51  -9.495   6.663   5.319
  177    HB3  ALA  51           HB3      ALA  51  -9.651   8.413   5.471
  178    H    THR  52           HN       THR  52  -6.967   5.777   4.723
  179    HA   THR  52           HA       THR  52  -5.794   7.044   6.984
  180    HB   THR  52           HB       THR  52  -6.377   4.578   6.762
  181    HG1  THR  52           HG1      THR  52  -4.905   4.111   8.307
  182   HG21  THR  52          HG21      THR  52  -4.648   3.093   5.883
  183   HG22  THR  52          HG22      THR  52  -3.684   4.482   5.385
  184   HG23  THR  52          HG23      THR  52  -5.236   4.164   4.612
  185    H    PHE  53           HN       PHE  53  -4.886   7.143   3.773
  186    HA   PHE  53           HA       PHE  53  -2.197   6.519   3.777
  187    HB2  PHE  53           HB2      PHE  53  -3.727   8.456   2.056
  188    HB3  PHE  53           HB3      PHE  53  -2.030   8.075   1.778
  189    HD1  PHE  53           HD2      PHE  53  -2.055   5.171   2.411
  190    HD2  PHE  53           HD1      PHE  53  -4.759   7.573   0.184
  191    HE1  PHE  53           HE2      PHE  53  -2.701   3.206   1.082
  192    HE2  PHE  53           HE1      PHE  53  -5.420   5.610  -1.133
  193    HZ   PHE  53           HZ       PHE  53  -4.389   3.423  -0.691
  194    H    SER  54           HN       SER  54  -3.731   9.377   4.963
  195    HA   SER  54           HA       SER  54  -1.691  11.240   4.886
  196    HB2  SER  54           HB2      SER  54  -3.653  10.800   7.147
  197    HB3  SER  54           HB3      SER  54  -2.817  12.304   6.760
  198    HG   SER  54           HG       SER  54  -4.946  12.274   5.936
  199    H    GLY  55           HN       GLY  55  -2.090   8.445   6.931
  200    HA2  GLY  55           HA1      GLY  55  -0.476   9.077   9.087
  201    HA3  GLY  55           HA2      GLY  55  -0.753   7.454   8.480
  202    H    PHE  56           HN       PHE  56   0.621   7.038   6.336
  203    HA   PHE  56           HA       PHE  56   3.315   7.194   7.342
  204    HB2  PHE  56           HB2      PHE  56   2.485   5.150   6.197
  205    HB3  PHE  56           HB3      PHE  56   2.416   6.060   4.687
  206    HD1  PHE  56           HD1      PHE  56   4.687   4.784   7.304
  207    HD2  PHE  56           HD2      PHE  56   4.355   6.447   3.404
  208    HE1  PHE  56           HE1      PHE  56   7.066   4.308   6.902
  209    HE2  PHE  56           HE2      PHE  56   6.730   5.977   2.996
  210    HZ   PHE  56           HZ       PHE  56   8.092   4.901   4.745
  211    H    THR  57           HN       THR  57   1.555   8.575   4.649
  212    HA   THR  57           HA       THR  57   3.726   9.673   3.224
  213    HB   THR  57           HB       THR  57   0.970  10.864   3.459
  214    HG1  THR  57           HG1      THR  57   1.165   9.329   1.296
  215   HG21  THR  57          HG21      THR  57   3.017  10.916   1.234
  216   HG22  THR  57          HG22      THR  57   2.546  12.274   2.258
  217   HG23  THR  57          HG23      THR  57   1.386  11.578   1.126
  218    H    LYS  58           HN       LYS  58   2.221  10.559   6.158
  219    HA   LYS  58           HA       LYS  58   3.073  13.317   6.219
  220    HB2  LYS  58           HB2      LYS  58   1.112  12.797   7.466
  221    HB3  LYS  58           HB3      LYS  58   1.894  11.448   8.271
  222    HG2  LYS  58           HG2      LYS  58   3.339  13.027   9.477
  223    HG3  LYS  58           HG3      LYS  58   2.489  14.367   8.702
  224    HD2  LYS  58           HD2      LYS  58   0.429  13.755   9.752
  225    HD3  LYS  58           HD3      LYS  58   1.125  12.254  10.361
  226    HE2  LYS  58           HE2      LYS  58   2.608  13.494  11.815
  227    HE3  LYS  58           HE3      LYS  58   2.027  15.021  11.148
  228    HZ1  LYS  58           HZ1      LYS  58   0.327  13.059  12.600
  229    HZ2  LYS  58           HZ2      LYS  58  -0.139  14.597  12.054
  230    HZ3  LYS  58           HZ3      LYS  58   1.008  14.449  13.297
  231    H    GLU  59           HN       GLU  59   4.083  10.268   7.743
  232    HA   GLU  59           HA       GLU  59   6.269  11.631   9.068
  233    HB2  GLU  59           HB2      GLU  59   6.182   9.972  10.548
  234    HB3  GLU  59           HB3      GLU  59   4.770   9.367   9.688
  235    HG2  GLU  59           HG2      GLU  59   6.013   7.789   8.517
  236    HG3  GLU  59           HG3      GLU  59   7.548   8.608   8.873
  237    H    GLN  60           HN       GLN  60   5.682   9.814   6.227
  238    HA   GLN  60           HA       GLN  60   8.176   8.860   5.505
  239    HB2  GLN  60           HB2      GLN  60   5.896   8.777   4.271
  240    HB3  GLN  60           HB3      GLN  60   6.368  10.321   3.588
  241    HG2  GLN  60           HG2      GLN  60   8.303   9.312   2.560
  242    HG3  GLN  60           HG3      GLN  60   7.903   7.756   3.300
  243   HE21  GLN  60          HE21      GLN  60   8.148   8.454   0.493
  244   HE22  GLN  60          HE22      GLN  60   6.627   8.065  -0.231
  245    H    GLN  61           HN       GLN  61   6.753  12.034   4.997
  246    HA   GLN  61           HA       GLN  61   8.978  13.342   3.899
  247    HB2  GLN  61           HB2      GLN  61   6.753  14.421   5.638
  248    HB3  GLN  61           HB3      GLN  61   7.868  15.418   4.706
  249    HG2  GLN  61           HG2      GLN  61   5.888  13.440   3.598
  250    HG3  GLN  61           HG3      GLN  61   5.756  15.197   3.550
  251   HE21  GLN  61          HE21      GLN  61   7.312  12.400   2.223
  252   HE22  GLN  61          HE22      GLN  61   8.054  13.190   0.876
  253    H    ARG  62           HN       ARG  62   7.965  12.820   7.217
  254    HA   ARG  62           HA       ARG  62   9.823  14.523   8.484
  255    HB2  ARG  62           HB2      ARG  62   7.744  13.732   9.536
  256    HB3  ARG  62           HB3      ARG  62   8.388  12.094   9.551
  257    HG2  ARG  62           HG2      ARG  62   8.622  13.020  11.735
  258    HG3  ARG  62           HG3      ARG  62  10.225  12.872  11.011
  259    HD2  ARG  62           HD2      ARG  62   9.987  15.295  10.319
  260    HD3  ARG  62           HD3      ARG  62   8.575  15.361  11.373
  261    HE   ARG  62           HE       ARG  62  11.255  14.623  12.365
  262   HH11  ARG  62          HH12      ARG  62   8.283  16.440  12.622
  263   HH12  ARG  62          HH11      ARG  62   8.718  17.210  14.117
  264   HH21  ARG  62          HH22      ARG  62  11.874  15.675  14.303
  265   HH22  ARG  62          HH21      ARG  62  10.777  16.796  15.062
  266    H    LEU  63           HN       LEU  63   9.806  11.062   7.826
  267    HA   LEU  63           HA       LEU  63  12.357  10.548   8.972
  268    HB2  LEU  63           HB2      LEU  63  10.666   8.948   7.082
  269    HB3  LEU  63           HB3      LEU  63  12.147   8.357   7.809
  270    HG   LEU  63           HG       LEU  63   9.664   9.171   9.320
  271   HD11  LEU  63          HD11      LEU  63   9.333   7.123   8.060
  272   HD12  LEU  63          HD12      LEU  63  10.814   6.447   8.739
  273   HD13  LEU  63          HD13      LEU  63   9.435   6.784   9.787
  274   HD21  LEU  63          HD21      LEU  63  11.686   9.577  10.609
  275   HD22  LEU  63          HD22      LEU  63  10.802   8.196  11.260
  276   HD23  LEU  63          HD23      LEU  63  12.244   7.938  10.278
  277    H    GLY  64           HN       GLY  64  11.726  12.392   6.457
  278    HA2  GLY  64           HA1      GLY  64  12.952  13.111   4.656
  279    HA3  GLY  64           HA2      GLY  64  14.315  12.239   5.348
  280    H    ILE  65           HN       ILE  65  11.417  10.508   4.751
  281    HA   ILE  65           HA       ILE  65  12.786   8.887   2.826
  282    HB   ILE  65           HB       ILE  65   9.956   8.640   3.848
  283   HG12  ILE  65          HG12      ILE  65  12.494   7.167   4.581
  284   HG13  ILE  65          HG13      ILE  65  11.579   8.258   5.616
  285   HG21  ILE  65          HG21      ILE  65   9.995   6.400   2.859
  286   HG22  ILE  65          HG22      ILE  65  10.224   7.644   1.629
  287   HG23  ILE  65          HG23      ILE  65  11.605   6.709   2.209
  288   HD11  ILE  65          HD11      ILE  65  11.165   5.954   6.217
  289   HD12  ILE  65          HD12      ILE  65   9.695   6.691   5.580
  290   HD13  ILE  65          HD13      ILE  65  10.640   5.592   4.570
  291    HA   PRO  66           HA       PRO  66  11.427  11.386  -0.679
  292    HB2  PRO  66           HB2      PRO  66  11.680   9.134  -2.365
  293    HB3  PRO  66           HB3      PRO  66  12.865  10.418  -2.134
  294    HG2  PRO  66           HG2      PRO  66  12.737   7.713  -0.927
  295    HG3  PRO  66           HG3      PRO  66  14.152   8.709  -1.316
  296    HD2  PRO  66           HD2      PRO  66  13.326   8.379   1.211
  297    HD3  PRO  66           HD3      PRO  66  13.986   9.929   0.648
  298    H    LYS  67           HN       LYS  67   9.438  11.686  -1.491
  299    HA   LYS  67           HA       LYS  67   7.260  10.265  -0.469
  300    HB2  LYS  67           HB2      LYS  67   7.245  12.635  -1.204
  301    HB3  LYS  67           HB3      LYS  67   7.297  12.084  -2.875
  302    HG2  LYS  67           HG2      LYS  67   5.181  10.774  -2.318
  303    HG3  LYS  67           HG3      LYS  67   5.093  11.789  -0.873
  304    HD2  LYS  67           HD2      LYS  67   5.132  12.730  -3.739
  305    HD3  LYS  67           HD3      LYS  67   3.746  12.742  -2.652
  306    HE2  LYS  67           HE2      LYS  67   4.866  14.355  -1.215
  307    HE3  LYS  67           HE3      LYS  67   6.291  14.312  -2.253
  308    HZ1  LYS  67           HZ1      LYS  67   3.587  15.307  -2.964
  309    HZ2  LYS  67           HZ2      LYS  67   4.840  15.101  -4.092
  310    HZ3  LYS  67           HZ3      LYS  67   5.010  16.217  -2.824
  311    H    ASP  68           HN       ASP  68   8.782  10.135  -3.642
  312    HA   ASP  68           HA       ASP  68   6.870   8.309  -4.774
  313    HB2  ASP  68           HB2      ASP  68   8.428   9.977  -5.988
  314    HB3  ASP  68           HB3      ASP  68   9.703   8.791  -5.722
  315    HA   PRO  69           HA       PRO  69   8.980   4.670  -3.206
  316    HB2  PRO  69           HB2      PRO  69   7.597   2.780  -4.413
  317    HB3  PRO  69           HB3      PRO  69   6.786   3.908  -3.320
  318    HG2  PRO  69           HG2      PRO  69   6.825   3.864  -6.310
  319    HG3  PRO  69           HG3      PRO  69   5.480   4.225  -5.213
  320    HD2  PRO  69           HD2      PRO  69   7.115   6.111  -6.488
  321    HD3  PRO  69           HD3      PRO  69   6.034   6.425  -5.115
  322    H    ARG  70           HN       ARG  70   9.412   5.655  -6.412
  323    HA   ARG  70           HA       ARG  70  10.531   3.234  -7.476
  324    HB2  ARG  70           HB2      ARG  70  10.375   6.064  -8.442
  325    HB3  ARG  70           HB3      ARG  70  11.436   4.929  -9.254
  326    HG2  ARG  70           HG2      ARG  70   9.322   5.104 -10.406
  327    HG3  ARG  70           HG3      ARG  70   9.534   3.486  -9.745
  328    HD2  ARG  70           HD2      ARG  70   7.828   3.723  -8.247
  329    HD3  ARG  70           HD3      ARG  70   8.074   5.467  -8.077
  330    HE   ARG  70           HE       ARG  70   6.943   5.754 -10.207
  331   HH11  ARG  70          HH12      ARG  70   6.585   2.623  -8.668
  332   HH12  ARG  70          HH11      ARG  70   5.132   2.226  -9.536
  333   HH21  ARG  70          HH22      ARG  70   5.048   5.228 -11.349
  334   HH22  ARG  70          HH21      ARG  70   4.261   3.708 -11.046
  335    H    GLN  71           HN       GLN  71  11.760   5.356  -5.274
  336    HA   GLN  71           HA       GLN  71  14.539   4.773  -6.065
  337    HB2  GLN  71           HB2      GLN  71  15.258   6.992  -5.752
  338    HB3  GLN  71           HB3      GLN  71  13.721   7.170  -6.588
  339    HG2  GLN  71           HG2      GLN  71  14.151   7.449  -3.625
  340    HG3  GLN  71           HG3      GLN  71  13.940   8.771  -4.773
  341   HE21  GLN  71          HE21      GLN  71  12.372   5.986  -3.301
  342   HE22  GLN  71          HE22      GLN  71  10.748   6.541  -3.544
  343    H    TRP  72           HN       TRP  72  12.527   3.840  -3.901
  344    HA   TRP  72           HA       TRP  72  13.616   4.742  -1.434
  345    HB2  TRP  72           HB2      TRP  72  11.629   2.681  -2.329
  346    HB3  TRP  72           HB3      TRP  72  12.266   2.580  -0.690
  347    HD1  TRP  72           HD1      TRP  72  12.206   6.088  -0.989
  348    HE1  TRP  72           HE1      TRP  72   9.966   7.112  -0.245
  349    HE3  TRP  72           HE3      TRP  72   9.338   1.885  -1.086
  350    HZ2  TRP  72           HZ2      TRP  72   7.315   6.228   0.244
  351    HZ3  TRP  72           HZ3      TRP  72   6.971   2.049  -0.464
  352    HH2  TRP  72           HH2      TRP  72   5.982   4.169   0.184
  353    H    THR  73           HN       THR  73  14.679   3.355   0.150
  354    HA   THR  73           HA       THR  73  16.295   1.228  -0.975
  355    HB   THR  73           HB       THR  73  17.297   1.142   1.299
  356    HG1  THR  73           HG1      THR  73  16.607   2.918   2.744
  357   HG21  THR  73          HG21      THR  73  18.391   3.311   1.249
  358   HG22  THR  73          HG22      THR  73  17.110   3.961   0.229
  359   HG23  THR  73          HG23      THR  73  18.185   2.712  -0.398
  360    H    GLU  74           HN       GLU  74  16.390  -0.824   0.552
  361    HA   GLU  74           HA       GLU  74  13.856  -2.039   0.602
  362    HB2  GLU  74           HB2      GLU  74  16.339  -2.766   2.169
  363    HB3  GLU  74           HB3      GLU  74  14.951  -3.815   1.919
  364    HG2  GLU  74           HG2      GLU  74  15.364  -3.822  -0.474
  365    HG3  GLU  74           HG3      GLU  74  16.734  -2.735  -0.249
  366    H    THR  75           HN       THR  75  15.548  -0.089   2.915
  367    HA   THR  75           HA       THR  75  13.993  -0.798   5.201
  368    HB   THR  75           HB       THR  75  15.531   1.773   4.822
  369    HG1  THR  75           HG1      THR  75  16.802  -0.431   5.971
  370   HG21  THR  75          HG21      THR  75  14.215   1.624   6.863
  371   HG22  THR  75          HG22      THR  75  15.933   1.513   7.245
  372   HG23  THR  75          HG23      THR  75  14.934   0.059   7.240
  373    H    HIS  76           HN       HIS  76  13.850   1.707   2.716
  374    HA   HIS  76           HA       HIS  76  11.788   3.227   4.015
  375    HB2  HIS  76           HB2      HIS  76  12.911   3.296   1.211
  376    HB3  HIS  76           HB3      HIS  76  11.632   4.370   1.764
  377    HD1  HIS  76           HD1      HIS  76  14.571   5.247   0.834
  378    HD2  HIS  76           HD2      HIS  76  13.163   4.949   4.736
  379    HE1  HIS  76           HE1      HIS  76  16.034   6.752   2.190
  380    HE2  HIS  76           HE2      HIS  76  15.038   6.717   4.505
  381    H    VAL  77           HN       VAL  77  11.946   0.853   1.403
  382    HA   VAL  77           HA       VAL  77   9.261   0.908   0.654
  383    HB   VAL  77           HB       VAL  77  11.373  -1.242   0.437
  384   HG11  VAL  77          HG11      VAL  77   9.191  -2.321   0.531
  385   HG12  VAL  77          HG12      VAL  77   8.602  -1.252  -0.743
  386   HG13  VAL  77          HG13      VAL  77   9.877  -2.420  -1.093
  387   HG21  VAL  77          HG21      VAL  77  10.134   0.628  -1.598
  388   HG22  VAL  77          HG22      VAL  77  11.760   0.745  -0.923
  389   HG23  VAL  77          HG23      VAL  77  11.329  -0.622  -1.954
  390    H    ARG  78           HN       ARG  78  10.994  -1.327   2.859
  391    HA   ARG  78           HA       ARG  78   8.688  -2.772   3.587
  392    HB2  ARG  78           HB2      ARG  78  11.323  -2.438   5.008
  393    HB3  ARG  78           HB3      ARG  78  10.072  -3.563   5.520
  394    HG2  ARG  78           HG2      ARG  78  10.217  -4.666   3.305
  395    HG3  ARG  78           HG3      ARG  78  11.563  -3.598   2.905
  396    HD2  ARG  78           HD2      ARG  78  12.734  -4.474   4.941
  397    HD3  ARG  78           HD3      ARG  78  11.441  -5.662   5.091
  398    HE   ARG  78           HE       ARG  78  12.139  -6.303   2.723
  399   HH11  ARG  78          HH12      ARG  78  14.342  -5.054   5.145
  400   HH12  ARG  78          HH11      ARG  78  15.708  -5.955   4.544
  401   HH21  ARG  78          HH22      ARG  78  13.948  -7.443   1.902
  402   HH22  ARG  78          HH21      ARG  78  15.496  -7.282   2.672
  403    H    ASP  79           HN       ASP  79  10.036   0.199   4.790
  404    HA   ASP  79           HA       ASP  79   8.698   0.477   7.222
  405    HB2  ASP  79           HB2      ASP  79  10.291   2.082   5.629
  406    HB3  ASP  79           HB3      ASP  79   8.733   2.917   5.586
  407    H    TRP  80           HN       TRP  80   7.770   1.502   3.971
  408    HA   TRP  80           HA       TRP  80   5.170   2.384   4.732
  409    HB2  TRP  80           HB2      TRP  80   5.983   3.524   2.910
  410    HB3  TRP  80           HB3      TRP  80   6.844   2.123   2.289
  411    HD1  TRP  80           HD1      TRP  80   3.534   3.952   2.021
  412    HE1  TRP  80           HE1      TRP  80   2.236   2.923   0.048
  413    HE3  TRP  80           HE3      TRP  80   6.494  -0.101   1.096
  414    HZ2  TRP  80           HZ2      TRP  80   2.431   0.697  -1.657
  415    HZ3  TRP  80           HZ3      TRP  80   5.870  -1.636  -0.715
  416    HH2  TRP  80           HH2      TRP  80   3.875  -1.248  -2.059
  417    H    VAL  81           HN       VAL  81   6.654  -0.531   3.669
  418    HA   VAL  81           HA       VAL  81   4.454  -1.960   2.669
  419    HB   VAL  81           HB       VAL  81   7.127  -2.695   3.795
  420   HG11  VAL  81          HG11      VAL  81   5.032  -4.738   3.089
  421   HG12  VAL  81          HG12      VAL  81   6.721  -5.062   3.480
  422   HG13  VAL  81          HG13      VAL  81   5.641  -4.407   4.710
  423   HG21  VAL  81          HG21      VAL  81   6.991  -2.010   1.479
  424   HG22  VAL  81          HG22      VAL  81   7.408  -3.721   1.583
  425   HG23  VAL  81          HG23      VAL  81   5.764  -3.239   1.165
  426    H    MET  82           HN       MET  82   5.992  -2.147   5.876
  427    HA   MET  82           HA       MET  82   3.768  -3.538   6.968
  428    HB2  MET  82           HB2      MET  82   4.740  -3.049   9.203
  429    HB3  MET  82           HB3      MET  82   5.803  -3.895   8.096
  430    HG2  MET  82           HG2      MET  82   7.236  -2.130   7.893
  431    HG3  MET  82           HG3      MET  82   5.983  -0.936   8.229
  432    HE1  MET  82           HE1      MET  82   7.403  -3.652  11.660
  433    HE2  MET  82           HE2      MET  82   6.150  -4.037  10.480
  434    HE3  MET  82           HE3      MET  82   7.843  -3.989   9.986
  435    H    TRP  83           HN       TRP  83   4.129  -0.171   6.294
  436    HA   TRP  83           HA       TRP  83   2.557   0.654   8.535
  437    HB2  TRP  83           HB2      TRP  83   3.893   2.339   7.384
  438    HB3  TRP  83           HB3      TRP  83   3.000   2.077   5.886
  439    HD1  TRP  83           HD1      TRP  83   2.561   3.592   9.387
  440    HE1  TRP  83           HE1      TRP  83   0.555   5.208   9.312
  441    HE3  TRP  83           HE3      TRP  83   0.907   2.600   4.659
  442    HZ2  TRP  83           HZ2      TRP  83  -1.455   5.959   7.475
  443    HZ3  TRP  83           HZ3      TRP  83  -1.058   3.810   3.816
  444    HH2  TRP  83           HH2      TRP  83  -2.208   5.453   5.195
  445    H    ALA  84           HN       ALA  84   1.570   0.308   5.077
  446    HA   ALA  84           HA       ALA  84  -1.164   0.679   5.697
  447    HB1  ALA  84           HB1      ALA  84  -0.277   0.821   3.388
  448    HB2  ALA  84           HB2      ALA  84  -0.055  -0.929   3.391
  449    HB3  ALA  84           HB3      ALA  84  -1.679  -0.244   3.522
  450    H    VAL  85           HN       VAL  85   0.942  -2.066   5.650
  451    HA   VAL  85           HA       VAL  85  -0.877  -4.106   6.194
  452    HB   VAL  85           HB       VAL  85   2.058  -3.715   6.590
  453   HG11  VAL  85          HG11      VAL  85   2.346  -5.936   7.518
  454   HG12  VAL  85          HG12      VAL  85   1.381  -4.940   8.606
  455   HG13  VAL  85          HG13      VAL  85   0.600  -6.153   7.596
  456   HG21  VAL  85          HG21      VAL  85   2.156  -5.670   5.105
  457   HG22  VAL  85          HG22      VAL  85   0.391  -5.705   5.075
  458   HG23  VAL  85          HG23      VAL  85   1.257  -4.318   4.412
  459    H    ASN  86           HN       ASN  86   1.097  -2.237   8.576
  460    HA   ASN  86           HA       ASN  86  -0.078  -3.684  10.701
  461    HB2  ASN  86           HB2      ASN  86   1.315  -2.598  12.173
  462    HB3  ASN  86           HB3      ASN  86   2.223  -2.579  10.672
  463   HD21  ASN  86          HD21      ASN  86   0.708  -0.430   9.487
  464   HD22  ASN  86          HD22      ASN  86   1.187   1.013  10.326
  465    H    GLU  87           HN       GLU  87  -1.098  -0.925   9.004
  466    HA   GLU  87           HA       GLU  87  -2.690   0.183  11.141
  467    HB2  GLU  87           HB2      GLU  87  -1.737   1.173   8.766
  468    HB3  GLU  87           HB3      GLU  87  -3.409   0.815   8.353
  469    HG2  GLU  87           HG2      GLU  87  -2.581   2.448  10.719
  470    HG3  GLU  87           HG3      GLU  87  -2.982   3.131   9.146
  471    H    PHE  88           HN       PHE  88  -3.050  -1.770   8.278
  472    HA   PHE  88           HA       PHE  88  -5.824  -2.342   8.650
  473    HB2  PHE  88           HB2      PHE  88  -3.654  -3.078   6.795
  474    HB3  PHE  88           HB3      PHE  88  -4.910  -4.302   7.015
  475    HD1  PHE  88           HD1      PHE  88  -7.207  -3.868   6.401
  476    HD2  PHE  88           HD2      PHE  88  -4.153  -0.988   5.720
  477    HE1  PHE  88           HE1      PHE  88  -8.702  -2.656   4.874
  478    HE2  PHE  88           HE2      PHE  88  -5.643   0.227   4.193
  479    HZ   PHE  88           HZ       PHE  88  -7.918  -0.601   3.773
  480    H    SER  89           HN       SER  89  -3.256  -3.173  10.453
  481    HA   SER  89           HA       SER  89  -2.632  -4.887  11.802
  482    HB2  SER  89           HB2      SER  89  -5.574  -5.598  11.676
  483    HB3  SER  89           HB3      SER  89  -4.436  -6.064  12.941
  484    HG   SER  89           HG       SER  89  -5.649  -3.592  12.437
  485    H    LEU  90           HN       LEU  90  -2.280  -5.403   9.015
  486    HA   LEU  90           HA       LEU  90  -3.250  -8.037   8.375
  487    HB2  LEU  90           HB2      LEU  90  -0.916  -6.570   7.126
  488    HB3  LEU  90           HB3      LEU  90  -1.912  -7.816   6.388
  489    HG   LEU  90           HG       LEU  90  -2.832  -5.020   7.102
  490   HD11  LEU  90          HD11      LEU  90  -2.248  -6.282   4.427
  491   HD12  LEU  90          HD12      LEU  90  -2.916  -4.671   4.690
  492   HD13  LEU  90          HD13      LEU  90  -1.279  -5.049   5.230
  493   HD21  LEU  90          HD21      LEU  90  -4.246  -7.285   5.675
  494   HD22  LEU  90          HD22      LEU  90  -4.640  -6.650   7.271
  495   HD23  LEU  90          HD23      LEU  90  -4.860  -5.641   5.842
  496    H    LYS  91           HN       LYS  91  -0.179  -6.571   9.183
  497    HA   LYS  91           HA       LYS  91   1.743  -7.358  10.107
  498    HB2  LYS  91           HB2      LYS  91  -0.362  -8.289  12.052
  499    HB3  LYS  91           HB3      LYS  91   1.329  -7.974  12.434
  500    HG2  LYS  91           HG2      LYS  91   1.069  -5.643  11.870
  501    HG3  LYS  91           HG3      LYS  91  -0.590  -5.922  11.347
  502    HD2  LYS  91           HD2      LYS  91  -0.604  -4.931  13.539
  503    HD3  LYS  91           HD3      LYS  91  -1.156  -6.602  13.662
  504    HE2  LYS  91           HE2      LYS  91   0.980  -7.303  14.492
  505    HE3  LYS  91           HE3      LYS  91   1.664  -5.705  14.195
  506    HZ1  LYS  91           HZ1      LYS  91  -0.573  -6.198  16.075
  507    HZ2  LYS  91           HZ2      LYS  91   0.330  -4.776  15.898
  508    HZ3  LYS  91           HZ3      LYS  91   1.054  -6.161  16.554
  509    H    GLY  92           HN       GLY  92   0.974  -9.317   8.145
  510    HA2  GLY  92           HA1      GLY  92   2.512 -11.492   9.336
  511    HA3  GLY  92           HA2      GLY  92   1.007 -11.871   8.498
  512    H    VAL  93           HN       VAL  93   3.382  -9.408   7.752
  513    HA   VAL  93           HA       VAL  93   3.465 -10.312   4.987
  514    HB   VAL  93           HB       VAL  93   3.647  -7.750   6.342
  515   HG11  VAL  93          HG11      VAL  93   6.031  -7.894   5.934
  516   HG12  VAL  93          HG12      VAL  93   5.737  -8.326   4.247
  517   HG13  VAL  93          HG13      VAL  93   5.297  -6.723   4.837
  518   HG21  VAL  93          HG21      VAL  93   2.938  -6.930   4.195
  519   HG22  VAL  93          HG22      VAL  93   3.378  -8.462   3.431
  520   HG23  VAL  93          HG23      VAL  93   2.039  -8.400   4.585
  521    H    ASP  94           HN       ASP  94   5.212 -11.290   4.125
  522    HA   ASP  94           HA       ASP  94   7.481 -11.740   5.872
  523    HB2  ASP  94           HB2      ASP  94   6.688 -13.630   4.503
  524    HB3  ASP  94           HB3      ASP  94   6.992 -12.701   3.039
  525    H    PHE  95           HN       PHE  95   8.582  -9.941   6.081
  526    HA   PHE  95           HA       PHE  95   8.836  -7.899   4.200
  527    HB2  PHE  95           HB2      PHE  95  10.641  -8.625   6.518
  528    HB3  PHE  95           HB3      PHE  95  10.757  -7.117   5.611
  529    HD1  PHE  95           HD1      PHE  95   8.808  -5.560   5.603
  530    HD2  PHE  95           HD2      PHE  95   9.071  -8.882   8.242
  531    HE1  PHE  95           HE1      PHE  95   7.101  -4.543   7.038
  532    HE2  PHE  95           HE2      PHE  95   7.355  -7.871   9.692
  533    HZ   PHE  95           HZ       PHE  95   6.373  -5.694   9.089
  534    H    GLN  96           HN       GLN  96  10.381 -10.912   4.394
  535    HA   GLN  96           HA       GLN  96  12.664 -10.098   2.808
  536    HB2  GLN  96           HB2      GLN  96  11.803 -12.780   3.856
  537    HB3  GLN  96           HB3      GLN  96  13.243 -12.530   2.882
  538    HG2  GLN  96           HG2      GLN  96  12.664 -11.367   5.595
  539    HG3  GLN  96           HG3      GLN  96  13.856 -12.602   5.201
  540   HE21  GLN  96          HE21      GLN  96  14.757 -11.286   2.766
  541   HE22  GLN  96          HE22      GLN  96  15.684  -9.919   3.267
  542    H    LYS  97           HN       LYS  97   9.516 -11.553   2.281
  543    HA   LYS  97           HA       LYS  97  10.081 -12.141  -0.478
  544    HB2  LYS  97           HB2      LYS  97   8.083 -12.922   1.176
  545    HB3  LYS  97           HB3      LYS  97   7.301 -11.540   0.420
  546    HG2  LYS  97           HG2      LYS  97   8.509 -13.834  -1.108
  547    HG3  LYS  97           HG3      LYS  97   6.811 -13.729  -0.652
  548    HD2  LYS  97           HD2      LYS  97   6.555 -11.706  -1.981
  549    HD3  LYS  97           HD3      LYS  97   8.276 -11.724  -2.371
  550    HE2  LYS  97           HE2      LYS  97   6.940 -12.613  -4.211
  551    HE3  LYS  97           HE3      LYS  97   8.001 -13.849  -3.538
  552    HZ1  LYS  97           HZ1      LYS  97   5.863 -14.797  -3.918
  553    HZ2  LYS  97           HZ2      LYS  97   5.083 -13.559  -3.076
  554    HZ3  LYS  97           HZ3      LYS  97   6.066 -14.660  -2.241
  555    H    PHE  98           HN       PHE  98   9.100  -9.576   1.553
  556    HA   PHE  98           HA       PHE  98   8.409  -7.719  -0.542
  557    HB2  PHE  98           HB2      PHE  98   8.507  -7.675   2.440
  558    HB3  PHE  98           HB3      PHE  98   8.558  -6.141   1.574
  559    HD1  PHE  98           HD2      PHE  98   6.520  -9.124   2.298
  560    HD2  PHE  98           HD1      PHE  98   6.691  -5.308   0.423
  561    HE1  PHE  98           HE2      PHE  98   4.083  -9.149   2.014
  562    HE2  PHE  98           HE1      PHE  98   4.257  -5.321   0.153
  563    HZ   PHE  98           HZ       PHE  98   2.945  -7.246   0.948
  564    H    CYS  99           HN       CYS  99  11.076  -8.971  -0.479
  565    HA   CYS  99           HA       CYS  99  12.972  -7.015   0.385
  566    HB2  CYS  99           HB2      CYS  99  13.363  -9.514   0.145
  567    HB3  CYS  99           HB3      CYS  99  13.392  -9.250  -1.598
  568    HG   CYS  99           HG       CYS  99  15.515  -7.150  -0.231
  569    H    MET 100           HN       MET 100  11.881  -5.206  -0.758
  570    HA   MET 100           HA       MET 100  13.001  -4.996  -3.466
  571    HB2  MET 100           HB2      MET 100  10.463  -3.806  -2.360
  572    HB3  MET 100           HB3      MET 100  11.230  -3.196  -3.817
  573    HG2  MET 100           HG2      MET 100   9.621  -4.591  -4.650
  574    HG3  MET 100           HG3      MET 100  11.051  -5.633  -4.640
  575    HE1  MET 100           HE1      MET 100   7.724  -4.692  -2.808
  576    HE2  MET 100           HE2      MET 100   7.738  -5.800  -1.436
  577    HE3  MET 100           HE3      MET 100   8.925  -4.500  -1.531
  578    H    SER 101           HN       SER 101  14.479  -3.476  -3.729
  579    HA   SER 101           HA       SER 101  14.561  -1.152  -2.016
  580    HB2  SER 101           HB2      SER 101  16.597  -2.052  -3.242
  581    HB3  SER 101           HB3      SER 101  15.833  -1.557  -4.751
  582    HG   SER 101           HG       SER 101  17.377  -0.049  -3.725
  583    H    GLY 102           HN       GLY 102  13.990   1.039  -3.098
  584    HA2  GLY 102           HA1      GLY 102  11.358   1.044  -3.846
  585    HA3  GLY 102           HA2      GLY 102  12.477   2.340  -4.205
  586    H    ALA 103           HN       ALA 103  14.160   1.004  -6.055
  587    HA   ALA 103           HA       ALA 103  12.698   1.278  -8.437
  588    HB1  ALA 103           HB1      ALA 103  15.299  -0.185  -7.992
  589    HB2  ALA 103           HB2      ALA 103  14.673   0.376  -9.541
  590    HB3  ALA 103           HB3      ALA 103  15.137   1.542  -8.303
  591    H    ALA 104           HN       ALA 104  13.546  -1.498  -6.477
  592    HA   ALA 104           HA       ALA 104  12.413  -3.454  -8.209
  593    HB1  ALA 104           HB1      ALA 104  12.623  -4.960  -6.280
  594    HB2  ALA 104           HB2      ALA 104  14.108  -4.044  -6.549
  595    HB3  ALA 104           HB3      ALA 104  13.008  -3.580  -5.248
  596    H    LEU 105           HN       LEU 105  11.249  -1.806  -5.210
  597    HA   LEU 105           HA       LEU 105   8.792  -2.794  -4.909
  598    HB2  LEU 105           HB2      LEU 105   9.830  -0.972  -3.571
  599    HB3  LEU 105           HB3      LEU 105   9.456   0.164  -4.863
  600    HG   LEU 105           HG       LEU 105   7.060  -0.372  -4.573
  601   HD11  LEU 105          HD11      LEU 105   8.098  -2.008  -2.277
  602   HD12  LEU 105          HD12      LEU 105   6.415  -1.499  -2.435
  603   HD13  LEU 105          HD13      LEU 105   7.134  -2.559  -3.650
  604   HD21  LEU 105          HD21      LEU 105   8.001   1.572  -3.505
  605   HD22  LEU 105          HD22      LEU 105   6.769   0.836  -2.477
  606   HD23  LEU 105          HD23      LEU 105   8.479   0.597  -2.113
  607    H    CYS 106           HN       CYS 106   9.576  -0.171  -7.033
  608    HA   CYS 106           HA       CYS 106   7.135   0.036  -8.332
  609    HB2  CYS 106           HB2      CYS 106   8.722   1.797  -8.489
  610    HB3  CYS 106           HB3      CYS 106   9.939   0.720  -9.173
  611    HG   CYS 106           HG       CYS 106   9.169   0.835 -11.668
  612    H    ALA 107           HN       ALA 107  10.087  -1.648  -9.425
  613    HA   ALA 107           HA       ALA 107   9.245  -2.439 -11.895
  614    HB1  ALA 107           HB1      ALA 107  11.058  -4.008 -10.081
  615    HB2  ALA 107           HB2      ALA 107  10.990  -4.098 -11.841
  616    HB3  ALA 107           HB3      ALA 107  11.536  -2.618 -11.056
  617    H    LEU 108           HN       LEU 108   8.355  -4.013  -8.851
  618    HA   LEU 108           HA       LEU 108   7.730  -6.504  -9.964
  619    HB2  LEU 108           HB2      LEU 108   6.160  -6.699  -7.918
  620    HB3  LEU 108           HB3      LEU 108   7.888  -6.616  -7.678
  621    HG   LEU 108           HG       LEU 108   7.582  -4.149  -7.172
  622   HD11  LEU 108          HD11      LEU 108   4.683  -4.973  -7.170
  623   HD12  LEU 108          HD12      LEU 108   5.298  -3.532  -6.353
  624   HD13  LEU 108          HD13      LEU 108   5.438  -3.684  -8.104
  625   HD21  LEU 108          HD21      LEU 108   6.892  -4.593  -4.887
  626   HD22  LEU 108          HD22      LEU 108   6.252  -6.164  -5.377
  627   HD23  LEU 108          HD23      LEU 108   7.985  -5.848  -5.477
  628    H    GLY 109           HN       GLY 109   5.729  -3.597  -9.694
  629    HA2  GLY 109           HA1      GLY 109   3.722  -3.097 -10.713
  630    HA3  GLY 109           HA2      GLY 109   3.911  -4.558 -11.678
  631    H    LYS 110           HN       LYS 110   1.436  -3.819 -10.733
  632    HA   LYS 110           HA       LYS 110   0.574  -4.738  -8.314
  633    HB2  LYS 110           HB2      LYS 110  -1.400  -4.145  -9.186
  634    HB3  LYS 110           HB3      LYS 110  -0.636  -4.000 -10.758
  635    HG2  LYS 110           HG2      LYS 110  -2.429  -5.404 -11.169
  636    HG3  LYS 110           HG3      LYS 110  -1.087  -6.524 -10.962
  637    HD2  LYS 110           HD2      LYS 110  -1.964  -6.350  -8.428
  638    HD3  LYS 110           HD3      LYS 110  -3.476  -6.110  -9.305
  639    HE2  LYS 110           HE2      LYS 110  -1.564  -8.419  -9.721
  640    HE3  LYS 110           HE3      LYS 110  -3.038  -8.488  -8.762
  641    HZ1  LYS 110           HZ1      LYS 110  -4.311  -7.953 -10.764
  642    HZ2  LYS 110           HZ2      LYS 110  -3.410  -9.379 -10.954
  643    HZ3  LYS 110           HZ3      LYS 110  -2.882  -7.942 -11.681
  644    H    GLU 111           HN       GLU 111   0.816  -6.787 -11.262
  645    HA   GLU 111           HA       GLU 111  -0.246  -9.060 -10.146
  646    HB2  GLU 111           HB2      GLU 111   1.079 -10.312 -11.910
  647    HB3  GLU 111           HB3      GLU 111   0.002  -9.044 -12.474
  648    HG2  GLU 111           HG2      GLU 111   1.943  -7.529 -12.650
  649    HG3  GLU 111           HG3      GLU 111   2.990  -8.870 -12.186
  650    H    CYS 112           HN       CYS 112   3.177  -8.157 -10.193
  651    HA   CYS 112           HA       CYS 112   3.978 -10.558  -8.886
  652    HB2  CYS 112           HB2      CYS 112   5.497  -7.969  -9.228
  653    HB3  CYS 112           HB3      CYS 112   6.188  -9.495  -8.687
  654    HG   CYS 112           HG       CYS 112   5.017 -10.572 -11.300
  655    H    PHE 113           HN       PHE 113   3.544  -7.183  -7.774
  656    HA   PHE 113           HA       PHE 113   4.236  -7.550  -5.139
  657    HB2  PHE 113           HB2      PHE 113   3.460  -5.405  -6.411
  658    HB3  PHE 113           HB3      PHE 113   1.860  -5.849  -5.835
  659    HD1  PHE 113           HD2      PHE 113   1.649  -6.322  -3.323
  660    HD2  PHE 113           HD1      PHE 113   4.867  -4.078  -5.029
  661    HE1  PHE 113           HE2      PHE 113   2.127  -5.339  -1.135
  662    HE2  PHE 113           HE1      PHE 113   5.336  -3.116  -2.825
  663    HZ   PHE 113           HZ       PHE 113   3.980  -3.751  -0.875
  664    H    LEU 114           HN       LEU 114   1.074  -8.231  -6.643
  665    HA   LEU 114           HA       LEU 114  -0.029  -8.971  -4.091
  666    HB2  LEU 114           HB2      LEU 114  -1.340  -9.758  -6.646
  667    HB3  LEU 114           HB3      LEU 114  -2.062  -9.343  -5.105
  668    HG   LEU 114           HG       LEU 114  -1.136  -7.581  -7.305
  669   HD11  LEU 114          HD11      LEU 114  -3.486  -8.111  -7.058
  670   HD12  LEU 114          HD12      LEU 114  -3.461  -7.521  -5.397
  671   HD13  LEU 114          HD13      LEU 114  -3.199  -6.403  -6.733
  672   HD21  LEU 114          HD21      LEU 114  -1.402  -6.529  -4.508
  673   HD22  LEU 114          HD22      LEU 114   0.147  -6.874  -5.283
  674   HD23  LEU 114          HD23      LEU 114  -0.929  -5.656  -5.972
  675    H    GLU 115           HN       GLU 115   1.667 -10.640  -6.592
  676    HA   GLU 115           HA       GLU 115   1.095 -13.216  -5.471
  677    HB2  GLU 115           HB2      GLU 115   3.306 -12.276  -7.296
  678    HB3  GLU 115           HB3      GLU 115   3.090 -13.949  -6.801
  679    HG2  GLU 115           HG2      GLU 115   0.883 -13.973  -7.857
  680    HG3  GLU 115           HG3      GLU 115   1.119 -12.300  -8.367
  681    H    LEU 116           HN       LEU 116   2.807 -10.559  -4.572
  682    HA   LEU 116           HA       LEU 116   5.035 -11.911  -3.294
  683    HB2  LEU 116           HB2      LEU 116   5.837 -10.072  -4.346
  684    HB3  LEU 116           HB3      LEU 116   4.338  -9.174  -4.173
  685    HG   LEU 116           HG       LEU 116   5.848  -9.589  -1.680
  686   HD11  LEU 116          HD11      LEU 116   6.874  -7.774  -3.850
  687   HD12  LEU 116          HD12      LEU 116   7.484  -7.873  -2.197
  688   HD13  LEU 116          HD13      LEU 116   7.669  -9.246  -3.290
  689   HD21  LEU 116          HD21      LEU 116   5.238  -7.260  -1.365
  690   HD22  LEU 116          HD22      LEU 116   4.607  -7.201  -3.011
  691   HD23  LEU 116          HD23      LEU 116   3.834  -8.232  -1.807
  692    H    ALA 117           HN       ALA 117   2.013 -10.419  -2.509
  693    HA   ALA 117           HA       ALA 117   2.364 -11.314   0.270
  694    HB1  ALA 117           HB1      ALA 117   1.184  -9.348   1.113
  695    HB2  ALA 117           HB2      ALA 117   2.641  -8.860   0.246
  696    HB3  ALA 117           HB3      ALA 117   1.062  -8.701  -0.525
  697    HA   PRO 118           HA       PRO 118  -1.879 -12.951  -0.011
  698    HB2  PRO 118           HB2      PRO 118  -2.703 -10.742   1.825
  699    HB3  PRO 118           HB3      PRO 118  -3.118 -12.460   1.882
  700    HG2  PRO 118           HG2      PRO 118  -1.291 -11.463   3.534
  701    HG3  PRO 118           HG3      PRO 118  -1.064 -13.058   2.794
  702    HD2  PRO 118           HD2      PRO 118   0.262 -10.469   2.162
  703    HD3  PRO 118           HD3      PRO 118   0.898 -12.123   2.048
  704    H    ASP 119           HN       ASP 119  -3.506 -12.550  -1.393
  705    HA   ASP 119           HA       ASP 119  -3.218 -10.619  -3.314
  706    HB2  ASP 119           HB2      ASP 119  -5.348 -11.307  -4.216
  707    HB3  ASP 119           HB3      ASP 119  -4.483 -12.713  -3.604
  708    H    PHE 120           HN       PHE 120  -4.842 -10.123  -0.256
  709    HA   PHE 120           HA       PHE 120  -6.204  -7.776  -1.303
  710    HB2  PHE 120           HB2      PHE 120  -7.496  -9.167   0.246
  711    HB3  PHE 120           HB3      PHE 120  -6.248  -8.968   1.467
  712    HD1  PHE 120           HD1      PHE 120  -7.589  -6.295  -0.733
  713    HD2  PHE 120           HD2      PHE 120  -7.489  -7.994   3.172
  714    HE1  PHE 120           HE1      PHE 120  -8.768  -4.329   0.152
  715    HE2  PHE 120           HE2      PHE 120  -8.665  -6.027   4.062
  716    HZ   PHE 120           HZ       PHE 120  -9.302  -4.192   2.554
  717    H    VAL 121           HN       VAL 121  -3.665  -8.786   0.810
  718    HA   VAL 121           HA       VAL 121  -3.026  -6.243   1.872
  719    HB   VAL 121           HB       VAL 121  -1.456  -8.812   1.734
  720   HG11  VAL 121          HG11      VAL 121   0.021  -6.924   2.129
  721   HG12  VAL 121          HG12      VAL 121  -1.022  -6.358   3.435
  722   HG13  VAL 121          HG13      VAL 121  -0.154  -7.888   3.597
  723   HG21  VAL 121          HG21      VAL 121  -2.359  -9.255   3.897
  724   HG22  VAL 121          HG22      VAL 121  -3.092  -7.649   3.968
  725   HG23  VAL 121          HG23      VAL 121  -3.698  -8.836   2.810
  726    H    GLY 122           HN       GLY 122  -1.642  -8.279  -0.691
  727    HA2  GLY 122           HA1      GLY 122   0.450  -6.611  -1.445
  728    HA3  GLY 122           HA2      GLY 122  -0.422  -7.700  -2.522
  729    H    ASP 123           HN       ASP 123  -2.979  -6.553  -2.393
  730    HA   ASP 123           HA       ASP 123  -2.588  -4.390  -4.232
  731    HB2  ASP 123           HB2      ASP 123  -4.337  -6.083  -4.612
  732    HB3  ASP 123           HB3      ASP 123  -5.152  -5.574  -3.135
  733    H    ILE 124           HN       ILE 124  -3.849  -4.762  -0.934
  734    HA   ILE 124           HA       ILE 124  -4.445  -2.161  -0.302
  735    HB   ILE 124           HB       ILE 124  -3.218  -4.394   1.268
  736   HG12  ILE 124          HG12      ILE 124  -5.732  -2.768   1.680
  737   HG13  ILE 124          HG13      ILE 124  -5.652  -4.279   0.778
  738   HG21  ILE 124          HG21      ILE 124  -2.079  -2.414   2.149
  739   HG22  ILE 124          HG22      ILE 124  -3.628  -1.599   2.362
  740   HG23  ILE 124          HG23      ILE 124  -3.247  -3.030   3.321
  741   HD11  ILE 124          HD11      ILE 124  -4.903  -3.995   3.677
  742   HD12  ILE 124          HD12      ILE 124  -6.473  -4.547   3.087
  743   HD13  ILE 124          HD13      ILE 124  -5.024  -5.492   2.746
  744    H    LEU 125           HN       LEU 125  -1.249  -3.619   0.212
  745    HA   LEU 125           HA       LEU 125   0.126  -1.229   0.520
  746    HB2  LEU 125           HB2      LEU 125   0.799  -4.039  -0.080
  747    HB3  LEU 125           HB3      LEU 125   2.031  -2.839  -0.453
  748    HG   LEU 125           HG       LEU 125   0.695  -3.053   2.232
  749   HD11  LEU 125          HD11      LEU 125   3.362  -4.157   1.369
  750   HD12  LEU 125          HD12      LEU 125   2.683  -4.212   2.994
  751   HD13  LEU 125          HD13      LEU 125   1.923  -5.123   1.688
  752   HD21  LEU 125          HD21      LEU 125   1.662  -0.887   1.701
  753   HD22  LEU 125          HD22      LEU 125   2.625  -1.707   2.932
  754   HD23  LEU 125          HD23      LEU 125   3.185  -1.660   1.259
  755    H    TRP 126           HN       TRP 126  -0.596  -3.082  -2.406
  756    HA   TRP 126           HA       TRP 126   1.024  -1.567  -4.134
  757    HB2  TRP 126           HB2      TRP 126   0.215  -3.676  -4.935
  758    HB3  TRP 126           HB3      TRP 126  -1.465  -3.183  -4.712
  759    HD1  TRP 126           HD1      TRP 126  -2.623  -2.243  -6.772
  760    HE1  TRP 126           HE1      TRP 126  -1.850  -1.229  -9.031
  761    HE3  TRP 126           HE3      TRP 126   2.418  -2.376  -6.035
  762    HZ2  TRP 126           HZ2      TRP 126   0.596  -0.596 -10.306
  763    HZ3  TRP 126           HZ3      TRP 126   3.908  -1.553  -7.814
  764    HH2  TRP 126           HH2      TRP 126   3.011  -0.693  -9.911
  765    H    GLU 127           HN       GLU 127  -2.367  -1.134  -3.126
  766    HA   GLU 127           HA       GLU 127  -2.943   1.061  -4.730
  767    HB2  GLU 127           HB2      GLU 127  -4.031  -0.039  -2.249
  768    HB3  GLU 127           HB3      GLU 127  -4.197   1.707  -2.366
  769    HG2  GLU 127           HG2      GLU 127  -5.068  -0.208  -4.500
  770    HG3  GLU 127           HG3      GLU 127  -6.128   0.413  -3.232
  771    H    HIS 128           HN       HIS 128  -1.703   1.141  -1.349
  772    HA   HIS 128           HA       HIS 128  -1.176   3.909  -1.495
  773    HB2  HIS 128           HB2      HIS 128  -1.125   2.457   0.633
  774    HB3  HIS 128           HB3      HIS 128   0.536   2.074   0.176
  775    HD1  HIS 128           HD1      HIS 128   0.868   3.423   2.617
  776    HD2  HIS 128           HD2      HIS 128  -0.120   5.663  -0.752
  777    HE1  HIS 128           HE1      HIS 128   1.421   5.815   3.204
  778    HE2  HIS 128           HE2      HIS 128   0.942   7.130   1.102
  779    H    LEU 129           HN       LEU 129   0.802   1.128  -2.481
  780    HA   LEU 129           HA       LEU 129   3.170   2.440  -3.035
  781    HB2  LEU 129           HB2      LEU 129   2.862   0.007  -3.247
  782    HB3  LEU 129           HB3      LEU 129   1.803   0.251  -4.620
  783    HG   LEU 129           HG       LEU 129   3.547   0.702  -6.066
  784   HD11  LEU 129          HD11      LEU 129   4.436   2.558  -4.679
  785   HD12  LEU 129          HD12      LEU 129   5.300   1.366  -3.705
  786   HD13  LEU 129          HD13      LEU 129   5.700   1.564  -5.413
  787   HD21  LEU 129          HD21      LEU 129   4.909  -0.970  -3.960
  788   HD22  LEU 129          HD22      LEU 129   3.742  -1.588  -5.133
  789   HD23  LEU 129          HD23      LEU 129   5.279  -0.926  -5.686
  790    H    GLU 130           HN       GLU 130   0.284   2.018  -4.983
  791    HA   GLU 130           HA       GLU 130   1.226   3.623  -7.061
  792    HB2  GLU 130           HB2      GLU 130  -0.786   1.897  -6.953
  793    HB3  GLU 130           HB3      GLU 130  -1.712   3.346  -6.575
  794    HG2  GLU 130           HG2      GLU 130  -0.996   4.388  -8.636
  795    HG3  GLU 130           HG3      GLU 130   0.034   3.007  -9.007
  796    H    ILE 131           HN       ILE 131  -0.925   4.264  -4.357
  797    HA   ILE 131           HA       ILE 131  -1.615   6.883  -4.842
  798    HB   ILE 131           HB       ILE 131  -1.307   5.236  -2.404
  799   HG12  ILE 131          HG12      ILE 131  -3.658   5.644  -2.133
  800   HG13  ILE 131          HG13      ILE 131  -3.627   6.975  -3.284
  801   HG21  ILE 131          HG21      ILE 131  -0.417   7.298  -1.571
  802   HG22  ILE 131          HG22      ILE 131  -1.684   8.229  -2.375
  803   HG23  ILE 131          HG23      ILE 131  -2.091   7.182  -1.012
  804   HD11  ILE 131          HD11      ILE 131  -4.697   5.109  -4.296
  805   HD12  ILE 131          HD12      ILE 131  -3.128   5.327  -5.072
  806   HD13  ILE 131          HD13      ILE 131  -3.360   4.035  -3.883
  807    H    LEU 132           HN       LEU 132   1.347   5.706  -3.233
  808    HA   LEU 132           HA       LEU 132   2.488   8.123  -2.468
  809    HB2  LEU 132           HB2      LEU 132   4.118   5.941  -3.755
  810    HB3  LEU 132           HB3      LEU 132   4.618   7.068  -2.512
  811    HG   LEU 132           HG       LEU 132   2.443   5.131  -1.899
  812   HD11  LEU 132          HD11      LEU 132   5.397   4.479  -1.974
  813   HD12  LEU 132          HD12      LEU 132   4.143   3.458  -1.271
  814   HD13  LEU 132          HD13      LEU 132   4.147   3.782  -3.005
  815   HD21  LEU 132          HD21      LEU 132   3.053   6.783  -0.200
  816   HD22  LEU 132          HD22      LEU 132   3.553   5.175   0.335
  817   HD23  LEU 132          HD23      LEU 132   4.748   6.306  -0.302
  818    H    GLN 133           HN       GLN 133   2.320   6.554  -5.557
  819    HA   GLN 133           HA       GLN 133   4.093   8.493  -6.768
  820    HB2  GLN 133           HB2      GLN 133   4.264   7.106  -8.616
  821    HB3  GLN 133           HB3      GLN 133   4.042   5.956  -7.312
  822    HG2  GLN 133           HG2      GLN 133   1.485   6.326  -8.080
  823    HG3  GLN 133           HG3      GLN 133   2.327   6.577  -9.607
  824   HE21  GLN 133          HE21      GLN 133   3.458   4.431  -7.059
  825   HE22  GLN 133          HE22      GLN 133   3.164   2.953  -7.899
  826    H    LYS 134           HN       LYS 134   0.603   7.820  -6.525
  827    HA   LYS 134           HA       LYS 134  -0.345   9.652  -8.348
  828    HB2  LYS 134           HB2      LYS 134  -1.329   8.605  -5.725
  829    HB3  LYS 134           HB3      LYS 134  -2.150   9.991  -6.436
  830    HG2  LYS 134           HG2      LYS 134  -3.366   8.183  -7.175
  831    HG3  LYS 134           HG3      LYS 134  -2.301   8.535  -8.539
  832    HD2  LYS 134           HD2      LYS 134  -1.233   6.584  -8.346
  833    HD3  LYS 134           HD3      LYS 134  -1.138   6.703  -6.572
  834    HE2  LYS 134           HE2      LYS 134  -2.491   4.800  -7.227
  835    HE3  LYS 134           HE3      LYS 134  -3.473   6.022  -6.421
  836    HZ1  LYS 134           HZ1      LYS 134  -3.331   5.571  -9.356
  837    HZ2  LYS 134           HZ2      LYS 134  -4.280   6.748  -8.590
  838    HZ3  LYS 134           HZ3      LYS 134  -4.606   5.099  -8.343
  839    H    GLU 135           HN       GLU 135   0.851  10.180  -5.072
  840    HA   GLU 135           HA       GLU 135   0.053  12.746  -4.588
  841    HB2  GLU 135           HB2      GLU 135   2.084  10.965  -3.624
  842    HB3  GLU 135           HB3      GLU 135   2.744  12.589  -3.727
  843    HG2  GLU 135           HG2      GLU 135   1.816  12.111  -1.524
  844    HG3  GLU 135           HG3      GLU 135   0.969  13.436  -2.320
  845    H    ASP 136           HN       ASP 136   2.764  11.707  -6.600
  846    HA   ASP 136           HA       ASP 136   2.707  14.373  -7.848
  847    HB2  ASP 136           HB2      ASP 136   5.183  12.686  -7.376
  848    HB3  ASP 136           HB3      ASP 136   5.137  14.173  -8.315
  849    H    VAL 137           HN       VAL 137   1.053  12.635  -8.830
  850    HA   VAL 137           HA       VAL 137   2.254  10.680 -10.561
  851    HB   VAL 137           HB       VAL 137  -0.148  10.831  -9.280
  852   HG11  VAL 137          HG11      VAL 137  -0.748  11.337 -12.185
  853   HG12  VAL 137          HG12      VAL 137  -1.919  10.811 -10.977
  854   HG13  VAL 137          HG13      VAL 137  -1.142  12.387 -10.825
  855   HG21  VAL 137          HG21      VAL 137   0.508   9.094 -11.648
  856   HG22  VAL 137          HG22      VAL 137   0.971   8.802  -9.971
  857   HG23  VAL 137          HG23      VAL 137  -0.728   8.768 -10.432
  858    H    LYS 138           HN       LYS 138   2.385  10.662 -12.761
  859    HA   LYS 138           HA       LYS 138   1.745  13.192 -14.127
  860    HB2  LYS 138           HB2      LYS 138   4.174  12.732 -13.964
  861    HB3  LYS 138           HB3      LYS 138   3.927  11.200 -14.790
  862    HG2  LYS 138           HG2      LYS 138   3.050  12.485 -16.745
  863    HG3  LYS 138           HG3      LYS 138   3.531  13.965 -15.913
  864    HD2  LYS 138           HD2      LYS 138   5.387  11.701 -16.644
  865    HD3  LYS 138           HD3      LYS 138   5.208  13.199 -17.557
  866    HE2  LYS 138           HE2      LYS 138   6.098  13.006 -14.682
  867    HE3  LYS 138           HE3      LYS 138   7.172  13.211 -16.065
  868    HZ1  LYS 138           HZ1      LYS 138   5.089  15.117 -15.138
  869    HZ2  LYS 138           HZ2      LYS 138   6.000  15.304 -16.558
  870    HZ3  LYS 138           HZ3      LYS 138   6.769  15.321 -15.048
  Start of MODEL   20
    1    H1   MET  29           H1       MET  29 -10.370 -20.022 -17.620
    2    H2   MET  29           H2       MET  29 -11.195 -19.646 -19.048
    3    H3   MET  29           H3       MET  29 -11.646 -21.009 -18.150
    4    HA   MET  29           HA       MET  29 -13.239 -19.309 -17.756
    5    HB2  MET  29           HB2      MET  29 -11.303 -19.606 -15.443
    6    HB3  MET  29           HB3      MET  29 -12.924 -18.947 -15.298
    7    HG2  MET  29           HG2      MET  29 -13.068 -21.168 -14.581
    8    HG3  MET  29           HG3      MET  29 -13.766 -21.147 -16.198
    9    HE1  MET  29           HE1      MET  29  -9.968 -21.118 -15.072
   10    HE2  MET  29           HE2      MET  29 -10.759 -22.232 -13.955
   11    HE3  MET  29           HE3      MET  29  -9.603 -22.843 -15.138
   12    H    GLU  30           HN       GLU  30 -13.364 -17.204 -16.197
   13    HA   GLU  30           HA       GLU  30 -12.020 -15.145 -17.665
   14    HB2  GLU  30           HB2      GLU  30 -14.294 -14.824 -16.849
   15    HB3  GLU  30           HB3      GLU  30 -13.754 -15.033 -15.190
   16    HG2  GLU  30           HG2      GLU  30 -14.165 -12.688 -15.818
   17    HG3  GLU  30           HG3      GLU  30 -12.520 -12.993 -15.265
   18    H    CYS  31           HN       CYS  31  -9.982 -14.617 -17.343
   19    HA   CYS  31           HA       CYS  31  -8.732 -15.226 -14.768
   20    HB2  CYS  31           HB2      CYS  31  -7.405 -14.450 -17.371
   21    HB3  CYS  31           HB3      CYS  31  -6.622 -15.121 -15.944
   22    HG   CYS  31           HG       CYS  31  -8.104 -16.667 -18.480
   23    H    ALA  32           HN       ALA  32  -9.511 -12.532 -16.864
   24    HA   ALA  32           HA       ALA  32  -7.654 -10.782 -15.438
   25    HB1  ALA  32           HB1      ALA  32  -7.671 -10.701 -17.882
   26    HB2  ALA  32           HB2      ALA  32  -9.368 -10.221 -17.854
   27    HB3  ALA  32           HB3      ALA  32  -8.140  -9.151 -17.182
   28    H    ASP  33           HN       ASP  33 -11.113 -11.031 -16.161
   29    HA   ASP  33           HA       ASP  33 -11.585  -8.926 -14.149
   30    HB2  ASP  33           HB2      ASP  33 -13.265  -9.637 -16.564
   31    HB3  ASP  33           HB3      ASP  33 -13.691  -8.430 -15.355
   32    H    VAL  34           HN       VAL  34 -11.247 -11.583 -13.404
   33    HA   VAL  34           HA       VAL  34 -13.655 -13.017 -13.143
   34    HB   VAL  34           HB       VAL  34 -11.545 -14.140 -12.805
   35   HG11  VAL  34          HG11      VAL  34 -11.162 -12.356 -10.408
   36   HG12  VAL  34          HG12      VAL  34 -10.132 -13.720 -10.844
   37   HG13  VAL  34          HG13      VAL  34 -10.232 -12.315 -11.905
   38   HG21  VAL  34          HG21      VAL  34 -13.444 -15.086 -11.634
   39   HG22  VAL  34          HG22      VAL  34 -11.976 -15.306 -10.683
   40   HG23  VAL  34          HG23      VAL  34 -13.132 -14.048 -10.243
   41    HA   PRO  35           HA       PRO  35 -15.892 -10.375 -10.382
   42    HB2  PRO  35           HB2      PRO  35 -17.225 -12.933  -9.646
   43    HB3  PRO  35           HB3      PRO  35 -17.934 -11.402 -10.173
   44    HG2  PRO  35           HG2      PRO  35 -17.819 -13.458 -11.838
   45    HG3  PRO  35           HG3      PRO  35 -17.482 -11.813 -12.410
   46    HD2  PRO  35           HD2      PRO  35 -15.566 -14.025 -11.770
   47    HD3  PRO  35           HD3      PRO  35 -15.531 -12.857 -13.108
   48    H    LEU  36           HN       LEU  36 -15.163  -9.678  -8.549
   49    HA   LEU  36           HA       LEU  36 -15.081 -11.233  -6.179
   50    HB2  LEU  36           HB2      LEU  36 -12.618 -10.915  -5.734
   51    HB3  LEU  36           HB3      LEU  36 -13.046 -12.154  -6.894
   52    HG   LEU  36           HG       LEU  36 -12.522 -10.429  -8.705
   53   HD11  LEU  36          HD11      LEU  36 -12.519  -8.434  -7.282
   54   HD12  LEU  36          HD12      LEU  36 -11.138  -9.073  -6.391
   55   HD13  LEU  36          HD13      LEU  36 -10.969  -8.652  -8.094
   56   HD21  LEU  36          HD21      LEU  36 -10.139 -10.928  -8.604
   57   HD22  LEU  36          HD22      LEU  36 -10.310 -11.415  -6.917
   58   HD23  LEU  36          HD23      LEU  36 -11.109 -12.342  -8.186
   59    H    LEU  37           HN       LEU  37 -15.690  -8.501  -7.611
   60    HA   LEU  37           HA       LEU  37 -14.418  -6.614  -5.852
   61    HB2  LEU  37           HB2      LEU  37 -15.037  -6.087  -8.209
   62    HB3  LEU  37           HB3      LEU  37 -16.726  -6.185  -7.750
   63    HG   LEU  37           HG       LEU  37 -16.399  -4.299  -6.193
   64   HD11  LEU  37          HD11      LEU  37 -14.042  -4.620  -5.699
   65   HD12  LEU  37          HD12      LEU  37 -13.621  -4.220  -7.364
   66   HD13  LEU  37          HD13      LEU  37 -14.328  -2.991  -6.313
   67   HD21  LEU  37          HD21      LEU  37 -17.188  -3.890  -8.467
   68   HD22  LEU  37          HD22      LEU  37 -16.178  -2.562  -7.896
   69   HD23  LEU  37          HD23      LEU  37 -15.522  -3.746  -9.026
   70    H    THR  38           HN       THR  38 -15.040  -7.391  -3.835
   71    HA   THR  38           HA       THR  38 -17.830  -6.815  -3.092
   72    HB   THR  38           HB       THR  38 -17.251  -8.260  -1.054
   73    HG1  THR  38           HG1      THR  38 -15.523  -9.706  -1.353
   74   HG21  THR  38          HG21      THR  38 -18.741  -9.014  -2.851
   75   HG22  THR  38          HG22      THR  38 -17.757 -10.340  -2.233
   76   HG23  THR  38          HG23      THR  38 -17.345  -9.580  -3.770
   77    HA   PRO  39           HA       PRO  39 -16.371  -3.241  -0.949
   78    HB2  PRO  39           HB2      PRO  39 -18.774  -3.974   0.674
   79    HB3  PRO  39           HB3      PRO  39 -18.277  -2.394   0.050
   80    HG2  PRO  39           HG2      PRO  39 -20.196  -3.751  -1.163
   81    HG3  PRO  39           HG3      PRO  39 -18.964  -2.886  -2.111
   82    HD2  PRO  39           HD2      PRO  39 -19.242  -5.815  -1.586
   83    HD3  PRO  39           HD3      PRO  39 -18.660  -4.972  -3.036
   84    H    SER  40           HN       SER  40 -17.145  -6.307   0.564
   85    HA   SER  40           HA       SER  40 -16.341  -5.772   3.166
   86    HB2  SER  40           HB2      SER  40 -15.908  -8.261   3.290
   87    HB3  SER  40           HB3      SER  40 -17.510  -7.798   2.716
   88    HG   SER  40           HG       SER  40 -17.080  -8.957   1.029
   89    H    SER  41           HN       SER  41 -14.373  -6.836   0.382
   90    HA   SER  41           HA       SER  41 -12.000  -6.637   2.041
   91    HB2  SER  41           HB2      SER  41 -10.943  -7.197  -0.313
   92    HB3  SER  41           HB3      SER  41 -11.751  -8.441   0.641
   93    HG   SER  41           HG       SER  41 -12.354  -7.610  -1.806
   94    H    LYS  42           HN       LYS  42 -12.941  -5.161  -1.121
   95    HA   LYS  42           HA       LYS  42 -10.641  -3.416  -0.762
   96    HB2  LYS  42           HB2      LYS  42 -10.946  -4.591  -2.908
   97    HB3  LYS  42           HB3      LYS  42 -12.396  -3.637  -3.199
   98    HG2  LYS  42           HG2      LYS  42 -11.189  -1.652  -3.428
   99    HG3  LYS  42           HG3      LYS  42  -9.736  -2.323  -2.667
  100    HD2  LYS  42           HD2      LYS  42  -9.588  -3.904  -4.625
  101    HD3  LYS  42           HD3      LYS  42 -10.895  -2.994  -5.384
  102    HE2  LYS  42           HE2      LYS  42  -8.781  -2.225  -6.245
  103    HE3  LYS  42           HE3      LYS  42  -9.502  -0.957  -5.257
  104    HZ1  LYS  42           HZ1      LYS  42  -7.356  -2.831  -4.385
  105    HZ2  LYS  42           HZ2      LYS  42  -8.051  -1.614  -3.435
  106    HZ3  LYS  42           HZ3      LYS  42  -7.145  -1.200  -4.799
  107    H    GLU  43           HN       GLU  43 -14.131  -3.075  -0.771
  108    HA   GLU  43           HA       GLU  43 -14.047  -0.232  -1.066
  109    HB2  GLU  43           HB2      GLU  43 -16.071  -1.608  -1.520
  110    HB3  GLU  43           HB3      GLU  43 -16.208  -1.919   0.201
  111    HG2  GLU  43           HG2      GLU  43 -17.754  -0.213  -0.494
  112    HG3  GLU  43           HG3      GLU  43 -16.550   0.456   0.611
  113    H    MET  44           HN       MET  44 -13.478  -2.445   1.494
  114    HA   MET  44           HA       MET  44 -13.781  -0.533   3.599
  115    HB2  MET  44           HB2      MET  44 -12.256  -3.141   3.651
  116    HB3  MET  44           HB3      MET  44 -12.752  -2.195   5.049
  117    HG2  MET  44           HG2      MET  44 -14.470  -3.742   3.139
  118    HG3  MET  44           HG3      MET  44 -14.281  -3.970   4.872
  119    HE1  MET  44           HE1      MET  44 -17.065  -4.172   4.555
  120    HE2  MET  44           HE2      MET  44 -18.053  -2.795   4.069
  121    HE3  MET  44           HE3      MET  44 -17.005  -3.587   2.889
  122    H    MET  45           HN       MET  45 -10.994  -1.817   1.745
  123    HA   MET  45           HA       MET  45  -9.162  -0.014   2.967
  124    HB2  MET  45           HB2      MET  45  -7.618  -0.495   1.204
  125    HB3  MET  45           HB3      MET  45  -8.429  -2.003   1.634
  126    HG2  MET  45           HG2      MET  45 -10.010  -1.482  -0.304
  127    HG3  MET  45           HG3      MET  45  -8.821  -0.274  -0.782
  128    HE1  MET  45           HE1      MET  45  -6.059  -1.733  -0.069
  129    HE2  MET  45           HE2      MET  45  -5.720  -2.388  -1.670
  130    HE3  MET  45           HE3      MET  45  -6.422  -0.774  -1.503
  131    H    SER  46           HN       SER  46 -11.398   0.256   0.280
  132    HA   SER  46           HA       SER  46 -10.610   2.672  -0.794
  133    HB2  SER  46           HB2      SER  46 -12.428   1.296  -1.695
  134    HB3  SER  46           HB3      SER  46 -13.427   1.674  -0.296
  135    HG   SER  46           HG       SER  46 -14.069   3.324  -1.407
  136    H    GLN  47           HN       GLN  47 -12.780   2.133   1.992
  137    HA   GLN  47           HA       GLN  47 -12.688   4.905   2.689
  138    HB2  GLN  47           HB2      GLN  47 -13.825   4.166   4.806
  139    HB3  GLN  47           HB3      GLN  47 -14.666   3.758   3.321
  140    HG2  GLN  47           HG2      GLN  47 -13.795   1.472   3.474
  141    HG3  GLN  47           HG3      GLN  47 -13.002   1.890   4.991
  142   HE21  GLN  47          HE21      GLN  47 -14.159   0.359   6.138
  143   HE22  GLN  47          HE22      GLN  47 -15.834   0.549   6.518
  144    H    ALA  48           HN       ALA  48 -11.159   1.980   4.101
  145    HA   ALA  48           HA       ALA  48  -9.926   3.435   6.203
  146    HB1  ALA  48           HB1      ALA  48 -10.427   1.022   6.333
  147    HB2  ALA  48           HB2      ALA  48  -9.144   0.720   5.158
  148    HB3  ALA  48           HB3      ALA  48  -8.751   1.406   6.735
  149    H    LEU  49           HN       LEU  49  -8.530   2.068   3.164
  150    HA   LEU  49           HA       LEU  49  -5.881   2.821   3.903
  151    HB2  LEU  49           HB2      LEU  49  -7.168   1.354   1.749
  152    HB3  LEU  49           HB3      LEU  49  -6.038   2.537   1.104
  153    HG   LEU  49           HG       LEU  49  -5.442   0.263   2.961
  154   HD11  LEU  49          HD11      LEU  49  -4.028  -0.470   1.155
  155   HD12  LEU  49          HD12      LEU  49  -5.666  -0.191   0.558
  156   HD13  LEU  49          HD13      LEU  49  -4.396   0.991   0.237
  157   HD21  LEU  49          HD21      LEU  49  -4.165   2.172   3.751
  158   HD22  LEU  49          HD22      LEU  49  -3.100   1.023   2.940
  159   HD23  LEU  49          HD23      LEU  49  -3.603   2.496   2.115
  160    H    LYS  50           HN       LYS  50  -8.178   3.943   1.472
  161    HA   LYS  50           HA       LYS  50  -6.455   5.810   0.377
  162    HB2  LYS  50           HB2      LYS  50  -9.466   5.983   0.311
  163    HB3  LYS  50           HB3      LYS  50  -8.325   6.591  -0.883
  164    HG2  LYS  50           HG2      LYS  50  -8.847   3.699  -0.230
  165    HG3  LYS  50           HG3      LYS  50  -9.370   4.559  -1.680
  166    HD2  LYS  50           HD2      LYS  50  -6.466   4.281  -0.898
  167    HD3  LYS  50           HD3      LYS  50  -7.292   3.108  -1.925
  168    HE2  LYS  50           HE2      LYS  50  -7.335   6.033  -2.582
  169    HE3  LYS  50           HE3      LYS  50  -5.954   5.027  -3.022
  170    HZ1  LYS  50           HZ1      LYS  50  -7.769   5.290  -4.743
  171    HZ2  LYS  50           HZ2      LYS  50  -8.724   4.289  -3.758
  172    HZ3  LYS  50           HZ3      LYS  50  -7.264   3.705  -4.402
  173    H    ALA  51           HN       ALA  51  -8.644   6.033   3.069
  174    HA   ALA  51           HA       ALA  51  -8.304   8.873   3.450
  175    HB1  ALA  51           HB1      ALA  51  -9.403   6.806   5.344
  176    HB2  ALA  51           HB2      ALA  51  -9.514   8.557   5.533
  177    HB3  ALA  51           HB3      ALA  51 -10.343   7.762   4.197
  178    H    THR  52           HN       THR  52  -6.828   5.923   4.723
  179    HA   THR  52           HA       THR  52  -5.653   7.165   7.000
  180    HB   THR  52           HB       THR  52  -6.233   4.718   6.812
  181    HG1  THR  52           HG1      THR  52  -3.721   5.658   7.720
  182   HG21  THR  52          HG21      THR  52  -3.618   4.580   5.303
  183   HG22  THR  52          HG22      THR  52  -5.211   4.318   4.596
  184   HG23  THR  52          HG23      THR  52  -4.599   3.207   5.823
  185    H    PHE  53           HN       PHE  53  -4.785   7.455   3.825
  186    HA   PHE  53           HA       PHE  53  -2.088   6.778   3.780
  187    HB2  PHE  53           HB2      PHE  53  -3.597   8.808   2.148
  188    HB3  PHE  53           HB3      PHE  53  -1.915   8.391   1.843
  189    HD1  PHE  53           HD2      PHE  53  -2.049   5.469   2.399
  190    HD2  PHE  53           HD1      PHE  53  -4.638   8.037   0.216
  191    HE1  PHE  53           HE2      PHE  53  -2.781   3.567   1.032
  192    HE2  PHE  53           HE1      PHE  53  -5.382   6.134  -1.150
  193    HZ   PHE  53           HZ       PHE  53  -4.412   3.909  -0.784
  194    H    SER  54           HN       SER  54  -3.599   9.524   5.182
  195    HA   SER  54           HA       SER  54  -1.516  11.384   5.152
  196    HB2  SER  54           HB2      SER  54  -2.710  12.066   7.399
  197    HB3  SER  54           HB3      SER  54  -3.546  12.257   5.856
  198    HG   SER  54           HG       SER  54  -4.244  10.750   7.963
  199    H    GLY  55           HN       GLY  55  -2.044   8.527   7.088
  200    HA2  GLY  55           HA1      GLY  55  -0.408   9.017   9.266
  201    HA3  GLY  55           HA2      GLY  55  -0.717   7.432   8.580
  202    H    PHE  56           HN       PHE  56   0.628   7.071   6.442
  203    HA   PHE  56           HA       PHE  56   3.334   7.165   7.406
  204    HB2  PHE  56           HB2      PHE  56   2.515   5.138   6.282
  205    HB3  PHE  56           HB3      PHE  56   2.301   6.054   4.790
  206    HD1  PHE  56           HD1      PHE  56   4.795   4.730   7.163
  207    HD2  PHE  56           HD2      PHE  56   4.136   6.563   3.377
  208    HE1  PHE  56           HE1      PHE  56   7.109   4.211   6.512
  209    HE2  PHE  56           HE2      PHE  56   6.450   6.049   2.724
  210    HZ   PHE  56           HZ       PHE  56   7.989   5.011   4.365
  211    H    THR  57           HN       THR  57   1.608   8.486   4.649
  212    HA   THR  57           HA       THR  57   3.834   9.395   3.199
  213    HB   THR  57           HB       THR  57   1.021  10.465   3.240
  214    HG1  THR  57           HG1      THR  57   2.113   8.830   1.218
  215   HG21  THR  57          HG21      THR  57   2.500  12.097   2.216
  216   HG22  THR  57          HG22      THR  57   1.526  11.316   0.971
  217   HG23  THR  57          HG23      THR  57   3.211  10.846   1.195
  218    H    LYS  58           HN       LYS  58   2.271  10.678   5.978
  219    HA   LYS  58           HA       LYS  58   3.292  13.375   5.615
  220    HB2  LYS  58           HB2      LYS  58   1.105  12.925   6.760
  221    HB3  LYS  58           HB3      LYS  58   2.013  12.220   8.090
  222    HG2  LYS  58           HG2      LYS  58   1.322  14.561   8.487
  223    HG3  LYS  58           HG3      LYS  58   3.070  14.319   8.561
  224    HD2  LYS  58           HD2      LYS  58   3.375  15.276   6.405
  225    HD3  LYS  58           HD3      LYS  58   1.639  15.262   6.085
  226    HE2  LYS  58           HE2      LYS  58   2.992  16.895   8.226
  227    HE3  LYS  58           HE3      LYS  58   2.502  17.505   6.645
  228    HZ1  LYS  58           HZ1      LYS  58   0.827  18.048   8.238
  229    HZ2  LYS  58           HZ2      LYS  58   0.726  16.442   8.772
  230    HZ3  LYS  58           HZ3      LYS  58   0.206  16.848   7.210
  231    H    GLU  59           HN       GLU  59   3.995  10.513   7.570
  232    HA   GLU  59           HA       GLU  59   6.146  11.890   8.951
  233    HB2  GLU  59           HB2      GLU  59   5.761  10.377  10.531
  234    HB3  GLU  59           HB3      GLU  59   4.547   9.605   9.512
  235    HG2  GLU  59           HG2      GLU  59   6.098   8.059   8.675
  236    HG3  GLU  59           HG3      GLU  59   7.476   8.976   9.305
  237    H    GLN  60           HN       GLN  60   5.628   9.857   6.260
  238    HA   GLN  60           HA       GLN  60   8.132   8.930   5.574
  239    HB2  GLN  60           HB2      GLN  60   6.095   8.480   4.300
  240    HB3  GLN  60           HB3      GLN  60   5.975  10.172   3.852
  241    HG2  GLN  60           HG2      GLN  60   8.052   9.951   2.574
  242    HG3  GLN  60           HG3      GLN  60   8.094   8.229   2.984
  243   HE21  GLN  60          HE21      GLN  60   7.941   7.693   0.790
  244   HE22  GLN  60          HE22      GLN  60   6.458   7.816  -0.073
  245    H    GLN  61           HN       GLN  61   6.672  12.081   4.956
  246    HA   GLN  61           HA       GLN  61   8.862  13.391   3.791
  247    HB2  GLN  61           HB2      GLN  61   6.860  14.648   5.671
  248    HB3  GLN  61           HB3      GLN  61   7.764  15.448   4.390
  249    HG2  GLN  61           HG2      GLN  61   5.612  13.378   4.028
  250    HG3  GLN  61           HG3      GLN  61   5.448  15.110   3.757
  251   HE21  GLN  61          HE21      GLN  61   5.083  12.824   1.965
  252   HE22  GLN  61          HE22      GLN  61   6.119  13.118   0.613
  253    H    ARG  62           HN       ARG  62   8.013  12.772   7.125
  254    HA   ARG  62           HA       ARG  62   9.868  14.570   8.322
  255    HB2  ARG  62           HB2      ARG  62   7.824  13.885   9.456
  256    HB3  ARG  62           HB3      ARG  62   8.346  12.206   9.427
  257    HG2  ARG  62           HG2      ARG  62   8.626  13.206  11.621
  258    HG3  ARG  62           HG3      ARG  62  10.173  12.717  10.922
  259    HD2  ARG  62           HD2      ARG  62  10.524  15.064  10.188
  260    HD3  ARG  62           HD3      ARG  62   9.042  15.511  11.034
  261    HE   ARG  62           HE       ARG  62  10.442  14.310  12.973
  262   HH11  ARG  62          HH12      ARG  62  11.292  16.819  10.682
  263   HH12  ARG  62          HH11      ARG  62  12.489  17.535  11.719
  264   HH21  ARG  62          HH22      ARG  62  12.003  15.269  14.354
  265   HH22  ARG  62          HH21      ARG  62  12.889  16.657  13.798
  266    H    LEU  63           HN       LEU  63   9.775  11.063   7.891
  267    HA   LEU  63           HA       LEU  63  12.292  10.550   9.091
  268    HB2  LEU  63           HB2      LEU  63  10.640   8.861   7.244
  269    HB3  LEU  63           HB3      LEU  63  12.015   8.292   8.173
  270    HG   LEU  63           HG       LEU  63   9.487   9.407   9.388
  271   HD11  LEU  63          HD11      LEU  63  10.361   6.539   9.075
  272   HD12  LEU  63          HD12      LEU  63   8.945   7.103   9.964
  273   HD13  LEU  63          HD13      LEU  63   9.032   7.321   8.218
  274   HD21  LEU  63          HD21      LEU  63  11.445   9.667  10.809
  275   HD22  LEU  63          HD22      LEU  63  10.356   8.441  11.460
  276   HD23  LEU  63          HD23      LEU  63  11.828   7.956  10.618
  277    H    GLY  64           HN       GLY  64  11.748  12.194   6.405
  278    HA2  GLY  64           HA1      GLY  64  13.088  12.786   4.635
  279    HA3  GLY  64           HA2      GLY  64  14.385  11.869   5.399
  280    H    ILE  65           HN       ILE  65  11.368  10.344   4.807
  281    HA   ILE  65           HA       ILE  65  12.641   8.539   2.988
  282    HB   ILE  65           HB       ILE  65   9.808   8.537   4.021
  283   HG12  ILE  65          HG12      ILE  65  12.275   6.961   4.758
  284   HG13  ILE  65          HG13      ILE  65  11.327   8.022   5.795
  285   HG21  ILE  65          HG21      ILE  65  11.253   6.477   2.349
  286   HG22  ILE  65          HG22      ILE  65   9.660   6.266   3.077
  287   HG23  ILE  65          HG23      ILE  65   9.905   7.486   1.827
  288   HD11  ILE  65          HD11      ILE  65  10.505   5.348   4.687
  289   HD12  ILE  65          HD12      ILE  65  10.855   5.752   6.370
  290   HD13  ILE  65          HD13      ILE  65   9.431   6.436   5.579
  291    HA   PRO  66           HA       PRO  66  11.537  10.905  -0.661
  292    HB2  PRO  66           HB2      PRO  66  11.565   8.147  -1.793
  293    HB3  PRO  66           HB3      PRO  66  12.351   9.612  -2.387
  294    HG2  PRO  66           HG2      PRO  66  13.740   7.696  -1.145
  295    HG3  PRO  66           HG3      PRO  66  14.129   9.413  -0.921
  296    HD2  PRO  66           HD2      PRO  66  12.784   7.513   0.920
  297    HD3  PRO  66           HD3      PRO  66  13.790   8.926   1.289
  298    H    LYS  67           HN       LYS  67   9.519  11.518  -1.159
  299    HA   LYS  67           HA       LYS  67   7.213  10.217  -0.274
  300    HB2  LYS  67           HB2      LYS  67   6.005  11.836  -1.751
  301    HB3  LYS  67           HB3      LYS  67   7.201  12.576  -0.694
  302    HG2  LYS  67           HG2      LYS  67   8.768  12.731  -2.527
  303    HG3  LYS  67           HG3      LYS  67   7.627  11.916  -3.599
  304    HD2  LYS  67           HD2      LYS  67   6.049  13.768  -3.292
  305    HD3  LYS  67           HD3      LYS  67   7.216  14.578  -2.244
  306    HE2  LYS  67           HE2      LYS  67   7.329  15.511  -4.474
  307    HE3  LYS  67           HE3      LYS  67   8.817  14.637  -4.111
  308    HZ1  LYS  67           HZ1      LYS  67   8.023  14.160  -6.343
  309    HZ2  LYS  67           HZ2      LYS  67   6.550  13.597  -5.726
  310    HZ3  LYS  67           HZ3      LYS  67   7.986  12.753  -5.391
  311    H    ASP  68           HN       ASP  68   9.074   9.477  -2.998
  312    HA   ASP  68           HA       ASP  68   6.820   8.136  -4.344
  313    HB2  ASP  68           HB2      ASP  68   9.549   8.879  -5.435
  314    HB3  ASP  68           HB3      ASP  68   8.308   8.015  -6.332
  315    HA   PRO  69           HA       PRO  69   8.675   4.242  -3.379
  316    HB2  PRO  69           HB2      PRO  69   7.955   2.906  -5.771
  317    HB3  PRO  69           HB3      PRO  69   7.051   2.966  -4.259
  318    HG2  PRO  69           HG2      PRO  69   6.281   4.110  -6.687
  319    HG3  PRO  69           HG3      PRO  69   5.578   4.457  -5.101
  320    HD2  PRO  69           HD2      PRO  69   7.541   6.024  -6.686
  321    HD3  PRO  69           HD3      PRO  69   6.314   6.582  -5.530
  322    H    ARG  70           HN       ARG  70   9.298   5.085  -6.763
  323    HA   ARG  70           HA       ARG  70  11.013   2.928  -7.248
  324    HB2  ARG  70           HB2      ARG  70  11.584   4.089  -9.383
  325    HB3  ARG  70           HB3      ARG  70   9.871   3.841  -9.091
  326    HG2  ARG  70           HG2      ARG  70  11.080   6.442  -8.303
  327    HG3  ARG  70           HG3      ARG  70  10.798   6.118 -10.015
  328    HD2  ARG  70           HD2      ARG  70   8.484   5.337  -8.538
  329    HD3  ARG  70           HD3      ARG  70   8.937   6.974  -8.053
  330    HE   ARG  70           HE       ARG  70   8.757   6.366 -10.913
  331   HH11  ARG  70          HH12      ARG  70   7.459   8.023  -8.109
  332   HH12  ARG  70          HH11      ARG  70   6.378   9.006  -9.034
  333   HH21  ARG  70          HH22      ARG  70   7.342   7.670 -12.130
  334   HH22  ARG  70          HH21      ARG  70   6.296   8.808 -11.318
  335    H    GLN  71           HN       GLN  71  11.904   5.232  -5.221
  336    HA   GLN  71           HA       GLN  71  14.716   4.825  -5.930
  337    HB2  GLN  71           HB2      GLN  71  15.344   7.073  -5.553
  338    HB3  GLN  71           HB3      GLN  71  13.914   7.155  -6.573
  339    HG2  GLN  71           HG2      GLN  71  14.002   7.586  -3.595
  340    HG3  GLN  71           HG3      GLN  71  13.828   8.828  -4.835
  341   HE21  GLN  71          HE21      GLN  71  12.278   6.075  -3.307
  342   HE22  GLN  71          HE22      GLN  71  10.658   6.520  -3.723
  343    H    TRP  72           HN       TRP  72  12.617   3.890  -3.839
  344    HA   TRP  72           HA       TRP  72  13.658   4.706  -1.337
  345    HB2  TRP  72           HB2      TRP  72  11.706   2.670  -2.351
  346    HB3  TRP  72           HB3      TRP  72  12.311   2.496  -0.704
  347    HD1  TRP  72           HD1      TRP  72  12.231   6.011  -0.846
  348    HE1  TRP  72           HE1      TRP  72   9.960   6.986  -0.127
  349    HE3  TRP  72           HE3      TRP  72   9.396   1.798  -1.202
  350    HZ2  TRP  72           HZ2      TRP  72   7.308   6.069   0.254
  351    HZ3  TRP  72           HZ3      TRP  72   7.010   1.923  -0.642
  352    HH2  TRP  72           HH2      TRP  72   5.988   4.010   0.067
  353    H    THR  73           HN       THR  73  14.823   3.442   0.194
  354    HA   THR  73           HA       THR  73  16.499   1.333  -0.785
  355    HB   THR  73           HB       THR  73  17.154   1.095   1.611
  356    HG1  THR  73           HG1      THR  73  16.287   2.732   3.060
  357   HG21  THR  73          HG21      THR  73  18.327   2.711   0.148
  358   HG22  THR  73          HG22      THR  73  18.267   3.262   1.822
  359   HG23  THR  73          HG23      THR  73  17.176   3.959   0.625
  360    H    GLU  74           HN       GLU  74  16.502  -0.777   0.533
  361    HA   GLU  74           HA       GLU  74  14.074  -2.118   0.393
  362    HB2  GLU  74           HB2      GLU  74  16.219  -3.275   0.527
  363    HB3  GLU  74           HB3      GLU  74  16.455  -2.688   2.170
  364    HG2  GLU  74           HG2      GLU  74  14.476  -3.916   2.879
  365    HG3  GLU  74           HG3      GLU  74  14.280  -4.536   1.242
  366    H    THR  75           HN       THR  75  15.560  -0.325   3.046
  367    HA   THR  75           HA       THR  75  13.697  -1.165   5.023
  368    HB   THR  75           HB       THR  75  15.316   1.363   5.202
  369    HG1  THR  75           HG1      THR  75  16.225  -1.349   5.279
  370   HG21  THR  75          HG21      THR  75  13.828   0.823   7.065
  371   HG22  THR  75          HG22      THR  75  15.515   0.673   7.557
  372   HG23  THR  75          HG23      THR  75  14.565  -0.772   7.209
  373    H    HIS  76           HN       HIS  76  13.786   1.447   2.680
  374    HA   HIS  76           HA       HIS  76  11.784   3.039   4.001
  375    HB2  HIS  76           HB2      HIS  76  13.050   3.163   1.269
  376    HB3  HIS  76           HB3      HIS  76  11.686   4.193   1.693
  377    HD1  HIS  76           HD1      HIS  76  14.688   5.162   1.070
  378    HD2  HIS  76           HD2      HIS  76  12.872   4.813   4.796
  379    HE1  HIS  76           HE1      HIS  76  15.971   6.685   2.591
  380    HE2  HIS  76           HE2      HIS  76  14.800   6.534   4.826
  381    H    VAL  77           HN       VAL  77  11.883   0.740   1.341
  382    HA   VAL  77           HA       VAL  77   9.198   0.868   0.593
  383    HB   VAL  77           HB       VAL  77  11.243  -1.351   0.377
  384   HG11  VAL  77          HG11      VAL  77   9.747  -2.429  -1.222
  385   HG12  VAL  77          HG12      VAL  77   9.015  -2.335   0.380
  386   HG13  VAL  77          HG13      VAL  77   8.509  -1.217  -0.886
  387   HG21  VAL  77          HG21      VAL  77  10.138   0.563  -1.692
  388   HG22  VAL  77          HG22      VAL  77  11.723   0.678  -0.929
  389   HG23  VAL  77          HG23      VAL  77  11.348  -0.692  -1.978
  390    H    ARG  78           HN       ARG  78  10.924  -1.363   2.782
  391    HA   ARG  78           HA       ARG  78   8.613  -2.790   3.536
  392    HB2  ARG  78           HB2      ARG  78  11.323  -2.525   4.803
  393    HB3  ARG  78           HB3      ARG  78  10.061  -3.543   5.489
  394    HG2  ARG  78           HG2      ARG  78   9.941  -4.579   3.118
  395    HG3  ARG  78           HG3      ARG  78  11.531  -3.849   2.907
  396    HD2  ARG  78           HD2      ARG  78  10.946  -5.531   5.301
  397    HD3  ARG  78           HD3      ARG  78  11.335  -6.289   3.763
  398    HE   ARG  78           HE       ARG  78  13.451  -4.933   3.881
  399   HH11  ARG  78          HH12      ARG  78  11.698  -5.722   6.790
  400   HH12  ARG  78          HH11      ARG  78  13.120  -5.950   7.753
  401   HH21  ARG  78          HH22      ARG  78  15.356  -5.238   5.136
  402   HH22  ARG  78          HH21      ARG  78  15.201  -5.658   6.819
  403    H    ASP  79           HN       ASP  79   9.968   0.186   4.724
  404    HA   ASP  79           HA       ASP  79   8.652   0.405   7.196
  405    HB2  ASP  79           HB2      ASP  79  10.370   1.991   5.872
  406    HB3  ASP  79           HB3      ASP  79   8.870   2.823   5.452
  407    H    TRP  80           HN       TRP  80   7.745   1.418   3.941
  408    HA   TRP  80           HA       TRP  80   5.170   2.403   4.682
  409    HB2  TRP  80           HB2      TRP  80   6.009   3.469   2.823
  410    HB3  TRP  80           HB3      TRP  80   6.815   2.022   2.230
  411    HD1  TRP  80           HD1      TRP  80   3.459   3.838   2.101
  412    HE1  TRP  80           HE1      TRP  80   2.129   2.860   0.130
  413    HE3  TRP  80           HE3      TRP  80   6.495  -0.080   0.920
  414    HZ2  TRP  80           HZ2      TRP  80   2.333   0.719  -1.696
  415    HZ3  TRP  80           HZ3      TRP  80   5.861  -1.552  -0.936
  416    HH2  TRP  80           HH2      TRP  80   3.819  -1.169  -2.208
  417    H    VAL  81           HN       VAL  81   6.576  -0.544   3.616
  418    HA   VAL  81           HA       VAL  81   4.331  -1.924   2.654
  419    HB   VAL  81           HB       VAL  81   7.053  -2.637   3.626
  420   HG11  VAL  81          HG11      VAL  81   6.668  -5.017   3.376
  421   HG12  VAL  81          HG12      VAL  81   5.705  -4.352   4.696
  422   HG13  VAL  81          HG13      VAL  81   4.943  -4.727   3.150
  423   HG21  VAL  81          HG21      VAL  81   5.505  -3.266   1.125
  424   HG22  VAL  81          HG22      VAL  81   6.724  -2.005   1.319
  425   HG23  VAL  81          HG23      VAL  81   7.188  -3.705   1.422
  426    H    MET  82           HN       MET  82   5.958  -2.138   5.800
  427    HA   MET  82           HA       MET  82   3.819  -3.611   6.941
  428    HB2  MET  82           HB2      MET  82   4.952  -3.396   9.062
  429    HB3  MET  82           HB3      MET  82   6.083  -3.834   7.794
  430    HG2  MET  82           HG2      MET  82   6.737  -1.429   7.655
  431    HG3  MET  82           HG3      MET  82   5.743  -1.144   9.083
  432    HE1  MET  82           HE1      MET  82   6.146  -2.521  11.393
  433    HE2  MET  82           HE2      MET  82   6.309  -4.050  10.529
  434    HE3  MET  82           HE3      MET  82   7.553  -3.546  11.672
  435    H    TRP  83           HN       TRP  83   4.135  -0.239   6.330
  436    HA   TRP  83           HA       TRP  83   2.611   0.614   8.591
  437    HB2  TRP  83           HB2      TRP  83   3.950   2.262   7.392
  438    HB3  TRP  83           HB3      TRP  83   3.032   1.984   5.912
  439    HD1  TRP  83           HD1      TRP  83   2.738   3.665   9.344
  440    HE1  TRP  83           HE1      TRP  83   0.745   5.284   9.277
  441    HE3  TRP  83           HE3      TRP  83   0.844   2.437   4.763
  442    HZ2  TRP  83           HZ2      TRP  83  -1.347   5.960   7.509
  443    HZ3  TRP  83           HZ3      TRP  83  -1.152   3.616   3.955
  444    HH2  TRP  83           HH2      TRP  83  -2.221   5.340   5.300
  445    H    ALA  84           HN       ALA  84   1.575   0.260   5.142
  446    HA   ALA  84           HA       ALA  84  -1.147   0.693   5.767
  447    HB1  ALA  84           HB1      ALA  84  -1.677  -0.260   3.597
  448    HB2  ALA  84           HB2      ALA  84  -0.279   0.810   3.461
  449    HB3  ALA  84           HB3      ALA  84  -0.052  -0.941   3.472
  450    H    VAL  85           HN       VAL  85   0.869  -2.132   5.670
  451    HA   VAL  85           HA       VAL  85  -0.940  -4.129   6.293
  452    HB   VAL  85           HB       VAL  85   1.980  -3.686   6.687
  453   HG11  VAL  85          HG11      VAL  85   1.388  -4.764   8.794
  454   HG12  VAL  85          HG12      VAL  85   0.537  -6.032   7.920
  455   HG13  VAL  85          HG13      VAL  85   2.282  -5.873   7.755
  456   HG21  VAL  85          HG21      VAL  85   2.128  -5.706   5.330
  457   HG22  VAL  85          HG22      VAL  85   0.369  -5.845   5.356
  458   HG23  VAL  85          HG23      VAL  85   1.132  -4.465   4.566
  459    H    ASN  86           HN       ASN  86   0.920  -2.083   8.602
  460    HA   ASN  86           HA       ASN  86  -0.176  -3.483  10.799
  461    HB2  ASN  86           HB2      ASN  86   1.247  -2.358  12.140
  462    HB3  ASN  86           HB3      ASN  86   2.046  -2.126  10.598
  463   HD21  ASN  86          HD21      ASN  86   0.231  -0.089   9.659
  464   HD22  ASN  86          HD22      ASN  86   0.553   1.338  10.607
  465    H    GLU  87           HN       GLU  87  -1.389  -0.866   8.970
  466    HA   GLU  87           HA       GLU  87  -3.060   0.212  11.069
  467    HB2  GLU  87           HB2      GLU  87  -3.213   0.564   8.062
  468    HB3  GLU  87           HB3      GLU  87  -4.106   1.501   9.252
  469    HG2  GLU  87           HG2      GLU  87  -1.116   1.418   9.065
  470    HG3  GLU  87           HG3      GLU  87  -2.122   2.650   8.301
  471    H    PHE  88           HN       PHE  88  -3.303  -1.796   8.233
  472    HA   PHE  88           HA       PHE  88  -6.062  -2.427   8.482
  473    HB2  PHE  88           HB2      PHE  88  -3.787  -3.127   6.743
  474    HB3  PHE  88           HB3      PHE  88  -5.067  -4.346   6.869
  475    HD1  PHE  88           HD1      PHE  88  -7.377  -3.794   6.237
  476    HD2  PHE  88           HD2      PHE  88  -4.167  -1.076   5.625
  477    HE1  PHE  88           HE1      PHE  88  -8.740  -2.544   4.629
  478    HE2  PHE  88           HE2      PHE  88  -5.533   0.188   4.020
  479    HZ   PHE  88           HZ       PHE  88  -7.910  -0.483   3.651
  480    H    SER  89           HN       SER  89  -3.515  -3.369  10.338
  481    HA   SER  89           HA       SER  89  -3.017  -5.116  11.687
  482    HB2  SER  89           HB2      SER  89  -5.912  -5.942  11.363
  483    HB3  SER  89           HB3      SER  89  -4.844  -6.270  12.729
  484    HG   SER  89           HG       SER  89  -5.600  -3.659  11.906
  485    H    LEU  90           HN       LEU  90  -2.348  -5.501   9.023
  486    HA   LEU  90           HA       LEU  90  -3.261  -8.074   8.133
  487    HB2  LEU  90           HB2      LEU  90  -0.835  -6.522   7.195
  488    HB3  LEU  90           HB3      LEU  90  -1.711  -7.763   6.309
  489    HG   LEU  90           HG       LEU  90  -2.741  -5.004   7.038
  490   HD11  LEU  90          HD11      LEU  90  -2.798  -4.653   4.630
  491   HD12  LEU  90          HD12      LEU  90  -1.162  -5.013   5.186
  492   HD13  LEU  90          HD13      LEU  90  -2.107  -6.255   4.367
  493   HD21  LEU  90          HD21      LEU  90  -4.112  -7.275   5.567
  494   HD22  LEU  90          HD22      LEU  90  -4.525  -6.681   7.174
  495   HD23  LEU  90          HD23      LEU  90  -4.747  -5.643   5.767
  496    H    LYS  91           HN       LYS  91  -0.305  -6.748   9.528
  497    HA   LYS  91           HA       LYS  91   0.927  -7.458  11.272
  498    HB2  LYS  91           HB2      LYS  91  -1.110  -9.657  11.554
  499    HB3  LYS  91           HB3      LYS  91   0.035  -9.130  12.778
  500    HG2  LYS  91           HG2      LYS  91  -2.183  -7.453  11.626
  501    HG3  LYS  91           HG3      LYS  91  -2.232  -8.291  13.175
  502    HD2  LYS  91           HD2      LYS  91  -0.169  -6.213  12.470
  503    HD3  LYS  91           HD3      LYS  91  -1.686  -5.843  13.294
  504    HE2  LYS  91           HE2      LYS  91  -1.055  -7.473  15.049
  505    HE3  LYS  91           HE3      LYS  91   0.508  -7.662  14.257
  506    HZ1  LYS  91           HZ1      LYS  91   0.905  -5.291  14.602
  507    HZ2  LYS  91           HZ2      LYS  91   0.656  -6.099  16.072
  508    HZ3  LYS  91           HZ3      LYS  91  -0.584  -5.151  15.405
  509    H    GLY  92           HN       GLY  92   0.696  -9.426   8.504
  510    HA2  GLY  92           HA1      GLY  92   2.930 -11.031   9.467
  511    HA3  GLY  92           HA2      GLY  92   1.499 -11.869   8.877
  512    H    VAL  93           HN       VAL  93   3.560  -9.171   7.878
  513    HA   VAL  93           HA       VAL  93   3.303  -9.961   5.103
  514    HB   VAL  93           HB       VAL  93   3.792  -7.497   6.455
  515   HG11  VAL  93          HG11      VAL  93   5.921  -8.169   4.428
  516   HG12  VAL  93          HG12      VAL  93   5.637  -6.588   5.156
  517   HG13  VAL  93          HG13      VAL  93   6.187  -7.933   6.157
  518   HG21  VAL  93          HG21      VAL  93   3.336  -6.578   4.259
  519   HG22  VAL  93          HG22      VAL  93   3.595  -8.166   3.530
  520   HG23  VAL  93          HG23      VAL  93   2.230  -7.905   4.624
  521    H    ASP  94           HN       ASP  94   4.908 -10.866   3.901
  522    HA   ASP  94           HA       ASP  94   7.075 -12.074   5.378
  523    HB2  ASP  94           HB2      ASP  94   6.281 -12.256   2.459
  524    HB3  ASP  94           HB3      ASP  94   7.566 -13.192   3.214
  525    H    PHE  95           HN       PHE  95   8.461 -10.415   5.904
  526    HA   PHE  95           HA       PHE  95   8.863  -8.154   4.309
  527    HB2  PHE  95           HB2      PHE  95  10.510  -9.289   6.569
  528    HB3  PHE  95           HB3      PHE  95  10.827  -7.724   5.828
  529    HD1  PHE  95           HD1      PHE  95   9.249  -5.876   6.106
  530    HD2  PHE  95           HD2      PHE  95   8.660  -9.619   8.041
  531    HE1  PHE  95           HE1      PHE  95   7.622  -4.831   7.628
  532    HE2  PHE  95           HE2      PHE  95   7.034  -8.583   9.559
  533    HZ   PHE  95           HZ       PHE  95   6.491  -6.174   9.330
  534    H    GLN  96           HN       GLN  96  10.451 -11.246   4.297
  535    HA   GLN  96           HA       GLN  96  12.717 -10.265   2.816
  536    HB2  GLN  96           HB2      GLN  96  13.537 -12.486   2.748
  537    HB3  GLN  96           HB3      GLN  96  12.933 -12.175   4.362
  538    HG2  GLN  96           HG2      GLN  96  11.864 -13.999   2.250
  539    HG3  GLN  96           HG3      GLN  96  12.321 -14.367   3.907
  540   HE21  GLN  96          HE21      GLN  96   9.857 -13.546   1.784
  541   HE22  GLN  96          HE22      GLN  96   8.580 -13.363   2.932
  542    H    LYS  97           HN       LYS  97   9.587 -11.371   2.048
  543    HA   LYS  97           HA       LYS  97  10.265 -11.862  -0.721
  544    HB2  LYS  97           HB2      LYS  97   8.261 -12.848   0.805
  545    HB3  LYS  97           HB3      LYS  97   7.434 -11.443   0.146
  546    HG2  LYS  97           HG2      LYS  97   8.729 -13.619  -1.491
  547    HG3  LYS  97           HG3      LYS  97   7.006 -13.495  -1.137
  548    HD2  LYS  97           HD2      LYS  97   6.948 -11.317  -2.285
  549    HD3  LYS  97           HD3      LYS  97   8.660 -11.492  -2.673
  550    HE2  LYS  97           HE2      LYS  97   6.405 -13.264  -3.606
  551    HE3  LYS  97           HE3      LYS  97   7.321 -12.120  -4.583
  552    HZ1  LYS  97           HZ1      LYS  97   9.332 -13.509  -3.922
  553    HZ2  LYS  97           HZ2      LYS  97   8.262 -14.172  -5.051
  554    HZ3  LYS  97           HZ3      LYS  97   8.218 -14.693  -3.439
  555    H    PHE  98           HN       PHE  98   9.276  -9.444   1.452
  556    HA   PHE  98           HA       PHE  98   8.477  -7.499  -0.532
  557    HB2  PHE  98           HB2      PHE  98   8.573  -7.613   2.449
  558    HB3  PHE  98           HB3      PHE  98   8.597  -6.032   1.667
  559    HD1  PHE  98           HD1      PHE  98   6.677  -5.267   0.346
  560    HD2  PHE  98           HD2      PHE  98   6.662  -8.993   2.396
  561    HE1  PHE  98           HE1      PHE  98   4.237  -5.375   0.141
  562    HE2  PHE  98           HE2      PHE  98   4.223  -9.120   2.165
  563    HZ   PHE  98           HZ       PHE  98   3.023  -7.246   0.908
  564    H    CYS  99           HN       CYS  99  11.210  -8.766  -0.270
  565    HA   CYS  99           HA       CYS  99  13.033  -6.704   0.452
  566    HB2  CYS  99           HB2      CYS  99  13.582  -9.145   0.334
  567    HB3  CYS  99           HB3      CYS  99  13.455  -9.035  -1.418
  568    HG   CYS  99           HG       CYS  99  15.718  -7.200   0.385
  569    H    MET 100           HN       MET 100  11.898  -4.957  -0.747
  570    HA   MET 100           HA       MET 100  13.005  -4.841  -3.462
  571    HB2  MET 100           HB2      MET 100  10.443  -3.666  -2.408
  572    HB3  MET 100           HB3      MET 100  11.225  -3.025  -3.844
  573    HG2  MET 100           HG2      MET 100   9.677  -4.446  -4.742
  574    HG3  MET 100           HG3      MET 100  11.119  -5.476  -4.674
  575    HE1  MET 100           HE1      MET 100   7.766  -5.681  -1.511
  576    HE2  MET 100           HE2      MET 100   8.918  -4.352  -1.636
  577    HE3  MET 100           HE3      MET 100   7.706  -4.592  -2.897
  578    H    SER 101           HN       SER 101  14.466  -3.328  -3.778
  579    HA   SER 101           HA       SER 101  14.571  -0.954  -2.134
  580    HB2  SER 101           HB2      SER 101  15.789  -1.442  -4.880
  581    HB3  SER 101           HB3      SER 101  16.221  -0.153  -3.754
  582    HG   SER 101           HG       SER 101  16.499  -2.938  -3.226
  583    H    GLY 102           HN       GLY 102  13.919   1.184  -3.154
  584    HA2  GLY 102           HA1      GLY 102  11.264   1.079  -3.838
  585    HA3  GLY 102           HA2      GLY 102  12.299   2.451  -4.153
  586    H    ALA 103           HN       ALA 103  14.010   1.337  -6.125
  587    HA   ALA 103           HA       ALA 103  12.487   1.580  -8.456
  588    HB1  ALA 103           HB1      ALA 103  15.120   0.149  -8.102
  589    HB2  ALA 103           HB2      ALA 103  14.443   0.715  -9.628
  590    HB3  ALA 103           HB3      ALA 103  14.921   1.877  -8.389
  591    H    ALA 104           HN       ALA 104  13.507  -1.243  -6.634
  592    HA   ALA 104           HA       ALA 104  12.418  -3.185  -8.395
  593    HB1  ALA 104           HB1      ALA 104  14.173  -3.726  -6.764
  594    HB2  ALA 104           HB2      ALA 104  13.042  -3.400  -5.446
  595    HB3  ALA 104           HB3      ALA 104  12.752  -4.748  -6.549
  596    H    LEU 105           HN       LEU 105  11.268  -1.705  -5.320
  597    HA   LEU 105           HA       LEU 105   8.837  -2.751  -5.020
  598    HB2  LEU 105           HB2      LEU 105   9.768  -1.008  -3.576
  599    HB3  LEU 105           HB3      LEU 105   9.515   0.193  -4.840
  600    HG   LEU 105           HG       LEU 105   7.080  -0.345  -4.753
  601   HD11  LEU 105          HD11      LEU 105   7.057  -2.507  -3.810
  602   HD12  LEU 105          HD12      LEU 105   7.981  -1.973  -2.401
  603   HD13  LEU 105          HD13      LEU 105   6.315  -1.433  -2.619
  604   HD21  LEU 105          HD21      LEU 105   8.265   0.635  -2.173
  605   HD22  LEU 105          HD22      LEU 105   8.034   1.604  -3.631
  606   HD23  LEU 105          HD23      LEU 105   6.634   0.950  -2.778
  607    H    CYS 106           HN       CYS 106   9.496   0.025  -7.004
  608    HA   CYS 106           HA       CYS 106   6.988   0.266  -8.154
  609    HB2  CYS 106           HB2      CYS 106   8.806   1.969  -8.122
  610    HB3  CYS 106           HB3      CYS 106   9.639   1.038  -9.360
  611    HG   CYS 106           HG       CYS 106   6.675   1.494 -10.541
  612    H    ALA 107           HN       ALA 107   9.919  -1.300  -9.464
  613    HA   ALA 107           HA       ALA 107   8.970  -1.939 -11.954
  614    HB1  ALA 107           HB1      ALA 107  11.306  -2.068 -11.238
  615    HB2  ALA 107           HB2      ALA 107  10.934  -3.539 -10.341
  616    HB3  ALA 107           HB3      ALA 107  10.779  -3.516 -12.098
  617    H    LEU 108           HN       LEU 108   8.268  -3.695  -8.960
  618    HA   LEU 108           HA       LEU 108   7.786  -6.189 -10.093
  619    HB2  LEU 108           HB2      LEU 108   6.170  -6.496  -8.091
  620    HB3  LEU 108           HB3      LEU 108   7.885  -6.327  -7.813
  621    HG   LEU 108           HG       LEU 108   7.467  -3.905  -7.265
  622   HD11  LEU 108          HD11      LEU 108   5.121  -3.377  -6.500
  623   HD12  LEU 108          HD12      LEU 108   5.349  -3.438  -8.248
  624   HD13  LEU 108          HD13      LEU 108   4.583  -4.789  -7.414
  625   HD21  LEU 108          HD21      LEU 108   7.867  -5.617  -5.601
  626   HD22  LEU 108          HD22      LEU 108   6.702  -4.428  -5.016
  627   HD23  LEU 108          HD23      LEU 108   6.147  -6.008  -5.571
  628    H    GLY 109           HN       GLY 109   5.602  -3.428  -9.898
  629    HA2  GLY 109           HA1      GLY 109   3.582  -3.078 -10.963
  630    HA3  GLY 109           HA2      GLY 109   3.876  -4.551 -11.881
  631    H    LYS 110           HN       LYS 110   1.348  -3.974 -11.014
  632    HA   LYS 110           HA       LYS 110   0.485  -4.866  -8.581
  633    HB2  LYS 110           HB2      LYS 110  -0.907  -3.998 -10.530
  634    HB3  LYS 110           HB3      LYS 110  -0.959  -5.670 -11.082
  635    HG2  LYS 110           HG2      LYS 110  -1.605  -5.589  -8.308
  636    HG3  LYS 110           HG3      LYS 110  -2.595  -4.412  -9.167
  637    HD2  LYS 110           HD2      LYS 110  -3.811  -6.402  -9.183
  638    HD3  LYS 110           HD3      LYS 110  -3.131  -6.255 -10.801
  639    HE2  LYS 110           HE2      LYS 110  -1.310  -7.827 -10.098
  640    HE3  LYS 110           HE3      LYS 110  -2.149  -8.049  -8.559
  641    HZ1  LYS 110           HZ1      LYS 110  -4.003  -9.000  -9.680
  642    HZ2  LYS 110           HZ2      LYS 110  -2.614  -9.796 -10.238
  643    HZ3  LYS 110           HZ3      LYS 110  -3.369  -8.628 -11.209
  644    H    GLU 111           HN       GLU 111   0.935  -6.950 -11.448
  645    HA   GLU 111           HA       GLU 111   0.091  -9.340 -10.455
  646    HB2  GLU 111           HB2      GLU 111   0.847  -9.043 -12.758
  647    HB3  GLU 111           HB3      GLU 111   2.510  -8.882 -12.209
  648    HG2  GLU 111           HG2      GLU 111   2.380 -11.198 -11.320
  649    HG3  GLU 111           HG3      GLU 111   0.778 -11.338 -12.042
  650    H    CYS 112           HN       CYS 112   3.465  -8.269 -10.318
  651    HA   CYS 112           HA       CYS 112   4.326 -10.470  -8.804
  652    HB2  CYS 112           HB2      CYS 112   5.596  -7.752  -9.119
  653    HB3  CYS 112           HB3      CYS 112   6.379  -9.149  -8.386
  654    HG   CYS 112           HG       CYS 112   5.747 -10.576 -10.966
  655    H    PHE 113           HN       PHE 113   3.600  -7.108  -7.783
  656    HA   PHE 113           HA       PHE 113   4.223  -7.424  -5.125
  657    HB2  PHE 113           HB2      PHE 113   3.498  -5.299  -6.448
  658    HB3  PHE 113           HB3      PHE 113   1.879  -5.714  -5.894
  659    HD1  PHE 113           HD2      PHE 113   1.646  -6.187  -3.362
  660    HD2  PHE 113           HD1      PHE 113   4.881  -3.972  -5.067
  661    HE1  PHE 113           HE2      PHE 113   2.147  -5.227  -1.168
  662    HE2  PHE 113           HE1      PHE 113   5.368  -3.028  -2.860
  663    HZ   PHE 113           HZ       PHE 113   4.018  -3.665  -0.910
  664    H    LEU 114           HN       LEU 114   1.048  -8.125  -6.642
  665    HA   LEU 114           HA       LEU 114  -0.057  -8.672  -4.041
  666    HB2  LEU 114           HB2      LEU 114  -1.419  -9.570  -6.534
  667    HB3  LEU 114           HB3      LEU 114  -2.111  -9.037  -5.013
  668    HG   LEU 114           HG       LEU 114  -1.117  -7.426  -7.311
  669   HD11  LEU 114          HD11      LEU 114  -3.494  -7.907  -7.057
  670   HD12  LEU 114          HD12      LEU 114  -3.470  -7.179  -5.449
  671   HD13  LEU 114          HD13      LEU 114  -3.162  -6.183  -6.871
  672   HD21  LEU 114          HD21      LEU 114  -0.976  -5.424  -6.006
  673   HD22  LEU 114          HD22      LEU 114  -1.355  -6.314  -4.531
  674   HD23  LEU 114          HD23      LEU 114   0.168  -6.613  -5.372
  675    H    GLU 115           HN       GLU 115   1.475 -10.496  -6.507
  676    HA   GLU 115           HA       GLU 115   0.895 -13.029  -5.299
  677    HB2  GLU 115           HB2      GLU 115   2.950 -12.159  -7.328
  678    HB3  GLU 115           HB3      GLU 115   2.727 -13.828  -6.813
  679    HG2  GLU 115           HG2      GLU 115   0.491 -12.193  -7.966
  680    HG3  GLU 115           HG3      GLU 115   1.601 -13.131  -8.975
  681    H    LEU 116           HN       LEU 116   2.799 -10.429  -4.601
  682    HA   LEU 116           HA       LEU 116   5.090 -11.823  -3.508
  683    HB2  LEU 116           HB2      LEU 116   5.844  -9.944  -4.519
  684    HB3  LEU 116           HB3      LEU 116   4.335  -9.085  -4.294
  685    HG   LEU 116           HG       LEU 116   5.970  -9.456  -1.872
  686   HD11  LEU 116          HD11      LEU 116   6.774  -7.591  -4.087
  687   HD12  LEU 116          HD12      LEU 116   7.470  -7.634  -2.467
  688   HD13  LEU 116          HD13      LEU 116   7.686  -9.005  -3.555
  689   HD21  LEU 116          HD21      LEU 116   5.246  -7.189  -1.468
  690   HD22  LEU 116          HD22      LEU 116   4.562  -7.109  -3.092
  691   HD23  LEU 116          HD23      LEU 116   3.872  -8.208  -1.898
  692    H    ALA 117           HN       ALA 117   2.174 -10.299  -2.454
  693    HA   ALA 117           HA       ALA 117   2.792 -11.112   0.316
  694    HB1  ALA 117           HB1      ALA 117   2.784  -8.682   0.236
  695    HB2  ALA 117           HB2      ALA 117   1.214  -8.691  -0.570
  696    HB3  ALA 117           HB3      ALA 117   1.352  -9.250   1.098
  697    HA   PRO 118           HA       PRO 118  -1.405 -13.034   0.425
  698    HB2  PRO 118           HB2      PRO 118  -2.209 -10.683   2.086
  699    HB3  PRO 118           HB3      PRO 118  -2.578 -12.396   2.321
  700    HG2  PRO 118           HG2      PRO 118  -0.709 -11.205   3.793
  701    HG3  PRO 118           HG3      PRO 118  -0.482 -12.862   3.204
  702    HD2  PRO 118           HD2      PRO 118   0.784 -10.336   2.286
  703    HD3  PRO 118           HD3      PRO 118   1.423 -11.992   2.276
  704    H    ASP 119           HN       ASP 119  -3.087 -12.764  -0.976
  705    HA   ASP 119           HA       ASP 119  -2.856 -10.844  -2.959
  706    HB2  ASP 119           HB2      ASP 119  -4.889 -11.700  -3.919
  707    HB3  ASP 119           HB3      ASP 119  -3.940 -13.035  -3.275
  708    H    PHE 120           HN       PHE 120  -4.468 -10.419   0.084
  709    HA   PHE 120           HA       PHE 120  -6.051  -8.216  -0.964
  710    HB2  PHE 120           HB2      PHE 120  -7.059  -9.705   0.767
  711    HB3  PHE 120           HB3      PHE 120  -5.800  -9.184   1.883
  712    HD1  PHE 120           HD1      PHE 120  -7.408  -6.922  -0.512
  713    HD2  PHE 120           HD2      PHE 120  -7.286  -8.274   3.521
  714    HE1  PHE 120           HE1      PHE 120  -8.808  -5.017   0.167
  715    HE2  PHE 120           HE2      PHE 120  -8.690  -6.376   4.208
  716    HZ   PHE 120           HZ       PHE 120  -9.413  -4.728   2.563
  717    H    VAL 121           HN       VAL 121  -3.304  -8.977   0.953
  718    HA   VAL 121           HA       VAL 121  -2.823  -6.359   1.955
  719    HB   VAL 121           HB       VAL 121  -1.122  -8.844   1.871
  720   HG11  VAL 121          HG11      VAL 121   0.180  -7.776   3.657
  721   HG12  VAL 121          HG12      VAL 121   0.263  -6.868   2.145
  722   HG13  VAL 121          HG13      VAL 121  -0.774  -6.303   3.455
  723   HG21  VAL 121          HG21      VAL 121  -2.794  -7.670   4.080
  724   HG22  VAL 121          HG22      VAL 121  -3.312  -8.983   3.016
  725   HG23  VAL 121          HG23      VAL 121  -1.933  -9.213   4.103
  726    H    GLY 122           HN       GLY 122  -1.429  -8.402  -0.589
  727    HA2  GLY 122           HA1      GLY 122   0.515  -6.652  -1.513
  728    HA3  GLY 122           HA2      GLY 122  -0.368  -7.806  -2.511
  729    H    ASP 123           HN       ASP 123  -2.961  -6.815  -2.270
  730    HA   ASP 123           HA       ASP 123  -2.870  -4.741  -4.217
  731    HB2  ASP 123           HB2      ASP 123  -4.615  -6.489  -4.212
  732    HB3  ASP 123           HB3      ASP 123  -5.218  -5.876  -2.677
  733    H    ILE 124           HN       ILE 124  -3.806  -4.944  -0.824
  734    HA   ILE 124           HA       ILE 124  -4.460  -2.321  -0.311
  735    HB   ILE 124           HB       ILE 124  -3.271  -4.517   1.317
  736   HG12  ILE 124          HG12      ILE 124  -5.745  -2.805   1.650
  737   HG13  ILE 124          HG13      ILE 124  -5.696  -4.358   0.823
  738   HG21  ILE 124          HG21      ILE 124  -3.289  -3.080   3.335
  739   HG22  ILE 124          HG22      ILE 124  -2.075  -2.567   2.163
  740   HG23  ILE 124          HG23      ILE 124  -3.589  -1.674   2.312
  741   HD11  ILE 124          HD11      ILE 124  -4.999  -3.942   3.719
  742   HD12  ILE 124          HD12      ILE 124  -6.564  -4.499   3.121
  743   HD13  ILE 124          HD13      ILE 124  -5.123  -5.486   2.868
  744    H    LEU 125           HN       LEU 125  -1.238  -3.732   0.192
  745    HA   LEU 125           HA       LEU 125   0.078  -1.296   0.467
  746    HB2  LEU 125           HB2      LEU 125   0.843  -4.101  -0.085
  747    HB3  LEU 125           HB3      LEU 125   2.044  -2.862  -0.425
  748    HG   LEU 125           HG       LEU 125   0.647  -3.134   2.227
  749   HD11  LEU 125          HD11      LEU 125   1.952  -5.145   1.765
  750   HD12  LEU 125          HD12      LEU 125   3.360  -4.149   1.396
  751   HD13  LEU 125          HD13      LEU 125   2.698  -4.170   3.032
  752   HD21  LEU 125          HD21      LEU 125   3.101  -1.630   1.329
  753   HD22  LEU 125          HD22      LEU 125   1.530  -0.924   1.713
  754   HD23  LEU 125          HD23      LEU 125   2.482  -1.700   2.981
  755    H    TRP 126           HN       TRP 126  -0.652  -3.211  -2.408
  756    HA   TRP 126           HA       TRP 126   0.891  -1.713  -4.214
  757    HB2  TRP 126           HB2      TRP 126   0.052  -3.835  -4.949
  758    HB3  TRP 126           HB3      TRP 126  -1.617  -3.339  -4.670
  759    HD1  TRP 126           HD1      TRP 126  -2.844  -2.641  -6.773
  760    HE1  TRP 126           HE1      TRP 126  -2.176  -1.587  -9.050
  761    HE3  TRP 126           HE3      TRP 126   2.190  -2.288  -6.051
  762    HZ2  TRP 126           HZ2      TRP 126   0.211  -0.761 -10.348
  763    HZ3  TRP 126           HZ3      TRP 126   3.598  -1.381  -7.851
  764    HH2  TRP 126           HH2      TRP 126   2.623  -0.638  -9.960
  765    H    GLU 127           HN       GLU 127  -2.494  -1.297  -3.146
  766    HA   GLU 127           HA       GLU 127  -3.132   0.908  -4.707
  767    HB2  GLU 127           HB2      GLU 127  -4.051  -0.100  -2.097
  768    HB3  GLU 127           HB3      GLU 127  -4.285   1.623  -2.354
  769    HG2  GLU 127           HG2      GLU 127  -5.301  -0.584  -4.117
  770    HG3  GLU 127           HG3      GLU 127  -6.252   0.371  -2.982
  771    H    HIS 128           HN       HIS 128  -1.762   0.994  -1.392
  772    HA   HIS 128           HA       HIS 128  -1.292   3.774  -1.531
  773    HB2  HIS 128           HB2      HIS 128  -1.286   2.354   0.588
  774    HB3  HIS 128           HB3      HIS 128   0.360   1.892   0.159
  775    HD1  HIS 128           HD1      HIS 128   0.656   3.171   2.630
  776    HD2  HIS 128           HD2      HIS 128  -0.026   5.525  -0.735
  777    HE1  HIS 128           HE1      HIS 128   1.368   5.496   3.276
  778    HE2  HIS 128           HE2      HIS 128   0.805   6.930   1.287
  779    H    LEU 129           HN       LEU 129   0.704   1.053  -2.603
  780    HA   LEU 129           HA       LEU 129   3.024   2.498  -3.187
  781    HB2  LEU 129           HB2      LEU 129   2.879   0.056  -3.363
  782    HB3  LEU 129           HB3      LEU 129   1.731   0.202  -4.677
  783    HG   LEU 129           HG       LEU 129   3.364   0.794  -6.223
  784   HD11  LEU 129          HD11      LEU 129   4.306   2.650  -4.921
  785   HD12  LEU 129          HD12      LEU 129   5.174   1.494  -3.910
  786   HD13  LEU 129          HD13      LEU 129   5.573   1.640  -5.622
  787   HD21  LEU 129          HD21      LEU 129   4.846  -0.920  -4.233
  788   HD22  LEU 129          HD22      LEU 129   3.676  -1.511  -5.414
  789   HD23  LEU 129          HD23      LEU 129   5.186  -0.781  -5.958
  790    H    GLU 130           HN       GLU 130   0.145   1.830  -5.050
  791    HA   GLU 130           HA       GLU 130   0.792   3.309  -7.277
  792    HB2  GLU 130           HB2      GLU 130  -0.949   1.694  -7.436
  793    HB3  GLU 130           HB3      GLU 130  -1.813   2.382  -6.073
  794    HG2  GLU 130           HG2      GLU 130  -3.061   2.883  -7.984
  795    HG3  GLU 130           HG3      GLU 130  -2.270   4.388  -7.515
  796    H    ILE 131           HN       ILE 131  -0.884   4.114  -4.351
  797    HA   ILE 131           HA       ILE 131  -1.624   6.737  -4.964
  798    HB   ILE 131           HB       ILE 131  -1.371   5.113  -2.509
  799   HG12  ILE 131          HG12      ILE 131  -3.724   5.680  -2.233
  800   HG13  ILE 131          HG13      ILE 131  -3.627   6.868  -3.526
  801   HG21  ILE 131          HG21      ILE 131  -1.646   8.115  -2.496
  802   HG22  ILE 131          HG22      ILE 131  -2.070   7.083  -1.123
  803   HG23  ILE 131          HG23      ILE 131  -0.403   7.143  -1.705
  804   HD11  ILE 131          HD11      ILE 131  -3.541   3.871  -3.749
  805   HD12  ILE 131          HD12      ILE 131  -4.751   4.983  -4.384
  806   HD13  ILE 131          HD13      ILE 131  -3.134   4.956  -5.087
  807    H    LEU 132           HN       LEU 132   1.304   5.548  -3.227
  808    HA   LEU 132           HA       LEU 132   2.373   8.021  -2.526
  809    HB2  LEU 132           HB2      LEU 132   4.086   5.767  -3.544
  810    HB3  LEU 132           HB3      LEU 132   4.550   7.040  -2.434
  811    HG   LEU 132           HG       LEU 132   2.342   5.369  -1.484
  812   HD11  LEU 132          HD11      LEU 132   5.104   4.246  -1.981
  813   HD12  LEU 132          HD12      LEU 132   3.849   3.468  -1.015
  814   HD13  LEU 132          HD13      LEU 132   3.600   3.724  -2.742
  815   HD21  LEU 132          HD21      LEU 132   3.485   6.991  -0.038
  816   HD22  LEU 132          HD22      LEU 132   3.741   5.349   0.560
  817   HD23  LEU 132          HD23      LEU 132   5.027   6.179  -0.317
  818    H    GLN 133           HN       GLN 133   2.454   6.285  -5.525
  819    HA   GLN 133           HA       GLN 133   4.281   8.177  -6.730
  820    HB2  GLN 133           HB2      GLN 133   4.433   6.729  -8.551
  821    HB3  GLN 133           HB3      GLN 133   4.225   5.644  -7.188
  822    HG2  GLN 133           HG2      GLN 133   1.675   5.884  -7.900
  823    HG3  GLN 133           HG3      GLN 133   2.424   6.218  -9.461
  824   HE21  GLN 133          HE21      GLN 133   3.612   4.078  -6.931
  825   HE22  GLN 133          HE22      GLN 133   3.456   2.613  -7.834
  826    H    LYS 134           HN       LYS 134   0.802   7.500  -6.637
  827    HA   LYS 134           HA       LYS 134  -0.029   9.001  -8.760
  828    HB2  LYS 134           HB2      LYS 134  -1.905   8.065  -8.050
  829    HB3  LYS 134           HB3      LYS 134  -1.144   7.633  -6.532
  830    HG2  LYS 134           HG2      LYS 134  -2.257  10.378  -6.872
  831    HG3  LYS 134           HG3      LYS 134  -3.348   9.023  -6.592
  832    HD2  LYS 134           HD2      LYS 134  -1.802   8.466  -4.595
  833    HD3  LYS 134           HD3      LYS 134  -1.195  10.108  -4.805
  834    HE2  LYS 134           HE2      LYS 134  -4.074   9.350  -4.317
  835    HE3  LYS 134           HE3      LYS 134  -2.965  10.010  -3.119
  836    HZ1  LYS 134           HZ1      LYS 134  -4.347  11.750  -3.957
  837    HZ2  LYS 134           HZ2      LYS 134  -3.957  11.381  -5.562
  838    HZ3  LYS 134           HZ3      LYS 134  -2.769  12.009  -4.520
  839    H    GLU 135           HN       GLU 135   1.179  10.156  -5.697
  840    HA   GLU 135           HA       GLU 135   0.117  12.768  -5.916
  841    HB2  GLU 135           HB2      GLU 135   2.589  11.785  -4.488
  842    HB3  GLU 135           HB3      GLU 135   1.869  13.377  -4.280
  843    HG2  GLU 135           HG2      GLU 135   0.514  10.759  -3.659
  844    HG3  GLU 135           HG3      GLU 135   1.273  11.824  -2.477
  845    H    ASP 136           HN       ASP 136   2.489  11.172  -7.714
  846    HA   ASP 136           HA       ASP 136   3.353  13.761  -8.839
  847    HB2  ASP 136           HB2      ASP 136   5.176  12.473  -7.666
  848    HB3  ASP 136           HB3      ASP 136   4.955  11.194  -8.855
  849    H    VAL 137           HN       VAL 137   1.468  11.159  -9.297
  850    HA   VAL 137           HA       VAL 137   1.980  10.403 -11.984
  851    HB   VAL 137           HB       VAL 137  -0.311   9.995 -10.082
  852   HG11  VAL 137          HG11      VAL 137  -1.485   8.651 -11.756
  853   HG12  VAL 137          HG12      VAL 137  -1.391  10.344 -12.242
  854   HG13  VAL 137          HG13      VAL 137  -0.317   9.153 -12.980
  855   HG21  VAL 137          HG21      VAL 137   1.493   8.086 -11.564
  856   HG22  VAL 137          HG22      VAL 137   1.670   8.584  -9.880
  857   HG23  VAL 137          HG23      VAL 137   0.264   7.645 -10.377
  858    H    LYS 138           HN       LYS 138   0.893  10.937 -13.860
  859    HA   LYS 138           HA       LYS 138  -0.319  12.110 -15.363
  860    HB2  LYS 138           HB2      LYS 138  -2.004  12.128 -13.288
  861    HB3  LYS 138           HB3      LYS 138  -1.640  13.845 -13.339
  862    HG2  LYS 138           HG2      LYS 138  -3.547  13.650 -14.639
  863    HG3  LYS 138           HG3      LYS 138  -2.246  13.699 -15.827
  864    HD2  LYS 138           HD2      LYS 138  -3.463  11.143 -14.787
  865    HD3  LYS 138           HD3      LYS 138  -4.018  11.965 -16.246
  866    HE2  LYS 138           HE2      LYS 138  -1.833  11.688 -17.261
  867    HE3  LYS 138           HE3      LYS 138  -1.211  10.958 -15.781
  868    HZ1  LYS 138           HZ1      LYS 138  -2.607   9.082 -16.080
  869    HZ2  LYS 138           HZ2      LYS 138  -1.834   9.357 -17.564
  870    HZ3  LYS 138           HZ3      LYS 138  -3.448   9.813 -17.354
  Start of MODEL   21
    1    H1   MET  29           H1       MET  29 -28.958   5.947  -2.923
    2    H2   MET  29           H2       MET  29 -30.083   6.678  -3.960
    3    H3   MET  29           H3       MET  29 -28.483   6.439  -4.472
    4    HA   MET  29           HA       MET  29 -30.360   4.268  -3.774
    5    HB2  MET  29           HB2      MET  29 -30.425   3.832  -6.244
    6    HB3  MET  29           HB3      MET  29 -31.242   5.300  -5.736
    7    HG2  MET  29           HG2      MET  29 -30.113   5.897  -7.677
    8    HG3  MET  29           HG3      MET  29 -29.107   6.521  -6.375
    9    HE1  MET  29           HE1      MET  29 -29.410   2.778  -7.662
   10    HE2  MET  29           HE2      MET  29 -29.536   3.769  -9.116
   11    HE3  MET  29           HE3      MET  29 -28.116   2.756  -8.860
   12    H    GLU  30           HN       GLU  30 -29.605   2.182  -4.362
   13    HA   GLU  30           HA       GLU  30 -26.791   1.902  -5.052
   14    HB2  GLU  30           HB2      GLU  30 -26.919   2.087  -2.554
   15    HB3  GLU  30           HB3      GLU  30 -27.935   0.654  -2.548
   16    HG2  GLU  30           HG2      GLU  30 -26.074  -0.592  -3.634
   17    HG3  GLU  30           HG3      GLU  30 -25.066   0.840  -3.429
   18    H    CYS  31           HN       CYS  31 -29.754   0.260  -4.018
   19    HA   CYS  31           HA       CYS  31 -31.029  -1.325  -5.007
   20    HB2  CYS  31           HB2      CYS  31 -29.089  -1.115  -7.313
   21    HB3  CYS  31           HB3      CYS  31 -30.616  -1.993  -7.345
   22    HG   CYS  31           HG       CYS  31 -32.251   0.169  -7.262
   23    H    ALA  32           HN       ALA  32 -31.198  -3.440  -4.701
   24    HA   ALA  32           HA       ALA  32 -28.855  -4.870  -3.789
   25    HB1  ALA  32           HB1      ALA  32 -30.417  -6.614  -3.135
   26    HB2  ALA  32           HB2      ALA  32 -30.986  -5.038  -2.582
   27    HB3  ALA  32           HB3      ALA  32 -31.718  -5.795  -3.999
   28    H    ASP  33           HN       ASP  33 -30.546  -4.542  -6.718
   29    HA   ASP  33           HA       ASP  33 -29.908  -7.091  -7.845
   30    HB2  ASP  33           HB2      ASP  33 -30.915  -4.494  -8.936
   31    HB3  ASP  33           HB3      ASP  33 -30.253  -5.681 -10.056
   32    H    VAL  34           HN       VAL  34 -28.685  -3.888  -8.784
   33    HA   VAL  34           HA       VAL  34 -26.088  -5.144  -9.353
   34    HB   VAL  34           HB       VAL  34 -27.107  -2.469 -10.330
   35   HG11  VAL  34          HG11      VAL  34 -25.238  -2.596 -11.908
   36   HG12  VAL  34          HG12      VAL  34 -24.675  -2.629 -10.236
   37   HG13  VAL  34          HG13      VAL  34 -24.726  -4.117 -11.178
   38   HG21  VAL  34          HG21      VAL  34 -28.462  -4.281 -11.250
   39   HG22  VAL  34          HG22      VAL  34 -27.450  -3.546 -12.496
   40   HG23  VAL  34          HG23      VAL  34 -26.999  -5.102 -11.798
   41    HA   PRO  35           HA       PRO  35 -25.093  -2.834  -5.579
   42    HB2  PRO  35           HB2      PRO  35 -22.774  -4.129  -5.079
   43    HB3  PRO  35           HB3      PRO  35 -24.351  -4.829  -4.691
   44    HG2  PRO  35           HG2      PRO  35 -22.601  -5.311  -7.072
   45    HG3  PRO  35           HG3      PRO  35 -23.448  -6.495  -6.056
   46    HD2  PRO  35           HD2      PRO  35 -24.424  -5.693  -8.440
   47    HD3  PRO  35           HD3      PRO  35 -25.485  -6.093  -7.074
   48    H    LEU  36           HN       LEU  36 -24.261  -0.871  -5.755
   49    HA   LEU  36           HA       LEU  36 -22.387  -0.167  -7.803
   50    HB2  LEU  36           HB2      LEU  36 -23.314   1.469  -5.439
   51    HB3  LEU  36           HB3      LEU  36 -22.530   2.078  -6.886
   52    HG   LEU  36           HG       LEU  36 -25.269   0.814  -6.766
   53   HD11  LEU  36          HD11      LEU  36 -24.407   3.676  -7.183
   54   HD12  LEU  36          HD12      LEU  36 -26.062   3.074  -7.292
   55   HD13  LEU  36          HD13      LEU  36 -25.205   3.026  -5.751
   56   HD21  LEU  36          HD21      LEU  36 -23.790   2.074  -9.075
   57   HD22  LEU  36          HD22      LEU  36 -24.129   0.355  -8.876
   58   HD23  LEU  36          HD23      LEU  36 -25.456   1.494  -9.106
   59    H    LEU  37           HN       LEU  37 -22.275  -0.747  -4.357
   60    HA   LEU  37           HA       LEU  37 -19.343  -0.781  -4.490
   61    HB2  LEU  37           HB2      LEU  37 -21.026   0.319  -2.230
   62    HB3  LEU  37           HB3      LEU  37 -19.287   0.105  -2.177
   63    HG   LEU  37           HG       LEU  37 -20.729   1.957  -4.078
   64   HD11  LEU  37          HD11      LEU  37 -20.953   2.695  -1.765
   65   HD12  LEU  37          HD12      LEU  37 -19.206   2.566  -1.550
   66   HD13  LEU  37          HD13      LEU  37 -19.870   3.756  -2.669
   67   HD21  LEU  37          HD21      LEU  37 -17.795   1.650  -3.445
   68   HD22  LEU  37          HD22      LEU  37 -18.589   1.135  -4.934
   69   HD23  LEU  37          HD23      LEU  37 -18.506   2.849  -4.524
   70    H    THR  38           HN       THR  38 -18.410  -2.526  -3.470
   71    HA   THR  38           HA       THR  38 -20.277  -4.341  -2.079
   72    HB   THR  38           HB       THR  38 -17.802  -5.204  -3.580
   73    HG1  THR  38           HG1      THR  38 -19.177  -4.358  -5.132
   74   HG21  THR  38          HG21      THR  38 -20.236  -6.698  -2.601
   75   HG22  THR  38          HG22      THR  38 -18.616  -6.779  -1.909
   76   HG23  THR  38          HG23      THR  38 -18.916  -7.401  -3.532
   77    HA   PRO  39           HA       PRO  39 -17.200  -3.439   1.071
   78    HB2  PRO  39           HB2      PRO  39 -19.296  -3.880   3.004
   79    HB3  PRO  39           HB3      PRO  39 -18.505  -2.365   2.568
   80    HG2  PRO  39           HG2      PRO  39 -21.119  -2.903   2.006
   81    HG3  PRO  39           HG3      PRO  39 -20.107  -1.815   1.030
   82    HD2  PRO  39           HD2      PRO  39 -20.802  -4.701   0.535
   83    HD3  PRO  39           HD3      PRO  39 -20.789  -3.332  -0.603
   84    H    SER  40           HN       SER  40 -16.456  -5.675   0.269
   85    HA   SER  40           HA       SER  40 -16.633  -7.340   2.671
   86    HB2  SER  40           HB2      SER  40 -17.957  -8.390   0.832
   87    HB3  SER  40           HB3      SER  40 -16.483  -8.473  -0.132
   88    HG   SER  40           HG       SER  40 -16.546  -9.569   2.468
   89    H    SER  41           HN       SER  41 -14.735  -7.178  -0.398
   90    HA   SER  41           HA       SER  41 -12.349  -7.695   1.191
   91    HB2  SER  41           HB2      SER  41 -12.678  -8.962  -0.881
   92    HB3  SER  41           HB3      SER  41 -12.694  -7.462  -1.806
   93    HG   SER  41           HG       SER  41 -10.609  -7.545  -1.848
   94    H    LYS  42           HN       LYS  42 -13.152  -5.286  -1.379
   95    HA   LYS  42           HA       LYS  42 -10.722  -3.898  -0.533
   96    HB2  LYS  42           HB2      LYS  42 -11.033  -4.545  -2.943
   97    HB3  LYS  42           HB3      LYS  42 -12.293  -3.318  -3.036
   98    HG2  LYS  42           HG2      LYS  42 -10.787  -1.567  -2.697
   99    HG3  LYS  42           HG3      LYS  42  -9.535  -2.646  -2.068
  100    HD2  LYS  42           HD2      LYS  42  -9.251  -3.608  -4.300
  101    HD3  LYS  42           HD3      LYS  42 -10.516  -2.546  -4.927
  102    HE2  LYS  42           HE2      LYS  42  -9.204  -0.656  -4.747
  103    HE3  LYS  42           HE3      LYS  42  -8.184  -1.357  -3.492
  104    HZ1  LYS  42           HZ1      LYS  42  -7.056  -1.126  -5.648
  105    HZ2  LYS  42           HZ2      LYS  42  -8.161  -2.200  -6.346
  106    HZ3  LYS  42           HZ3      LYS  42  -7.114  -2.732  -5.117
  107    H    GLU  43           HN       GLU  43 -14.113  -3.499  -0.315
  108    HA   GLU  43           HA       GLU  43 -14.252  -0.678  -0.362
  109    HB2  GLU  43           HB2      GLU  43 -16.210  -2.245  -0.485
  110    HB3  GLU  43           HB3      GLU  43 -15.984  -2.567   1.227
  111    HG2  GLU  43           HG2      GLU  43 -17.770  -0.983   0.889
  112    HG3  GLU  43           HG3      GLU  43 -16.422  -0.228   1.736
  113    H    MET  44           HN       MET  44 -13.115  -2.941   1.974
  114    HA   MET  44           HA       MET  44 -13.253  -1.311   4.276
  115    HB2  MET  44           HB2      MET  44 -11.538  -3.671   3.526
  116    HB3  MET  44           HB3      MET  44 -11.372  -2.855   5.073
  117    HG2  MET  44           HG2      MET  44 -12.754  -4.846   5.257
  118    HG3  MET  44           HG3      MET  44 -13.676  -3.392   5.628
  119    HE1  MET  44           HE1      MET  44 -16.103  -3.374   4.940
  120    HE2  MET  44           HE2      MET  44 -15.348  -2.237   3.823
  121    HE3  MET  44           HE3      MET  44 -16.542  -3.394   3.230
  122    H    MET  45           HN       MET  45 -10.559  -1.958   1.994
  123    HA   MET  45           HA       MET  45  -8.847   0.002   3.104
  124    HB2  MET  45           HB2      MET  45  -7.457  -0.257   1.227
  125    HB3  MET  45           HB3      MET  45  -8.205  -1.837   1.435
  126    HG2  MET  45           HG2      MET  45  -9.189  -1.738  -0.545
  127    HG3  MET  45           HG3      MET  45  -9.755  -0.092  -0.275
  128    HE1  MET  45           HE1      MET  45  -6.826  -2.327  -1.706
  129    HE2  MET  45           HE2      MET  45  -5.567  -1.100  -1.892
  130    HE3  MET  45           HE3      MET  45  -6.147  -1.538  -0.282
  131    H    SER  46           HN       SER  46 -11.406   0.168   0.704
  132    HA   SER  46           HA       SER  46 -10.949   2.634  -0.409
  133    HB2  SER  46           HB2      SER  46 -12.771   1.083  -1.043
  134    HB3  SER  46           HB3      SER  46 -13.634   1.509   0.433
  135    HG   SER  46           HG       SER  46 -14.077   3.476  -0.365
  136    H    GLN  47           HN       GLN  47 -12.736   1.941   2.593
  137    HA   GLN  47           HA       GLN  47 -12.727   4.707   3.317
  138    HB2  GLN  47           HB2      GLN  47 -13.591   3.887   5.538
  139    HB3  GLN  47           HB3      GLN  47 -14.578   3.460   4.151
  140    HG2  GLN  47           HG2      GLN  47 -13.627   1.211   4.167
  141    HG3  GLN  47           HG3      GLN  47 -12.635   1.646   5.557
  142   HE21  GLN  47          HE21      GLN  47 -15.925   2.748   5.161
  143   HE22  GLN  47          HE22      GLN  47 -16.589   1.809   6.454
  144    H    ALA  48           HN       ALA  48 -10.961   1.831   4.509
  145    HA   ALA  48           HA       ALA  48  -9.657   3.281   6.564
  146    HB1  ALA  48           HB1      ALA  48 -10.022   0.891   6.745
  147    HB2  ALA  48           HB2      ALA  48  -8.941   0.609   5.378
  148    HB3  ALA  48           HB3      ALA  48  -8.305   1.273   6.882
  149    H    LEU  49           HN       LEU  49  -8.386   2.056   3.400
  150    HA   LEU  49           HA       LEU  49  -5.750   2.969   4.008
  151    HB2  LEU  49           HB2      LEU  49  -7.123   1.585   1.791
  152    HB3  LEU  49           HB3      LEU  49  -5.803   2.639   1.307
  153    HG   LEU  49           HG       LEU  49  -5.685   0.228   3.084
  154   HD11  LEU  49          HD11      LEU  49  -4.100  -0.498   1.343
  155   HD12  LEU  49          HD12      LEU  49  -5.715  -0.173   0.706
  156   HD13  LEU  49          HD13      LEU  49  -4.418   0.996   0.467
  157   HD21  LEU  49          HD21      LEU  49  -3.524   2.274   2.573
  158   HD22  LEU  49          HD22      LEU  49  -4.273   1.901   4.122
  159   HD23  LEU  49          HD23      LEU  49  -3.265   0.697   3.318
  160    H    LYS  50           HN       LYS  50  -8.191   3.909   1.628
  161    HA   LYS  50           HA       LYS  50  -6.674   5.897   0.440
  162    HB2  LYS  50           HB2      LYS  50  -9.687   5.892   0.581
  163    HB3  LYS  50           HB3      LYS  50  -8.665   6.564  -0.686
  164    HG2  LYS  50           HG2      LYS  50  -9.022   3.651  -0.015
  165    HG3  LYS  50           HG3      LYS  50  -9.639   4.497  -1.436
  166    HD2  LYS  50           HD2      LYS  50  -6.698   4.184  -0.768
  167    HD3  LYS  50           HD3      LYS  50  -7.578   3.157  -1.898
  168    HE2  LYS  50           HE2      LYS  50  -7.481   6.141  -2.217
  169    HE3  LYS  50           HE3      LYS  50  -6.197   5.105  -2.836
  170    HZ1  LYS  50           HZ1      LYS  50  -9.071   4.977  -3.586
  171    HZ2  LYS  50           HZ2      LYS  50  -7.869   3.910  -4.132
  172    HZ3  LYS  50           HZ3      LYS  50  -7.800   5.549  -4.549
  173    H    ALA  51           HN       ALA  51  -8.673   6.001   3.283
  174    HA   ALA  51           HA       ALA  51  -8.445   8.860   3.617
  175    HB1  ALA  51           HB1      ALA  51  -9.469   8.514   5.786
  176    HB2  ALA  51           HB2      ALA  51 -10.364   7.647   4.536
  177    HB3  ALA  51           HB3      ALA  51  -9.282   6.768   5.617
  178    H    THR  52           HN       THR  52  -6.761   5.973   4.798
  179    HA   THR  52           HA       THR  52  -5.500   7.389   6.960
  180    HB   THR  52           HB       THR  52  -6.161   4.950   7.059
  181    HG1  THR  52           HG1      THR  52  -4.483   4.545   8.476
  182   HG21  THR  52          HG21      THR  52  -4.590   3.299   6.167
  183   HG22  THR  52          HG22      THR  52  -3.609   4.587   5.466
  184   HG23  THR  52          HG23      THR  52  -5.233   4.288   4.853
  185    H    PHE  53           HN       PHE  53  -4.744   7.217   3.711
  186    HA   PHE  53           HA       PHE  53  -2.084   6.477   3.651
  187    HB2  PHE  53           HB2      PHE  53  -3.579   8.420   1.905
  188    HB3  PHE  53           HB3      PHE  53  -1.919   7.928   1.583
  189    HD1  PHE  53           HD2      PHE  53  -2.033   5.081   2.323
  190    HD2  PHE  53           HD1      PHE  53  -4.778   7.488   0.157
  191    HE1  PHE  53           HE2      PHE  53  -2.834   3.085   1.136
  192    HE2  PHE  53           HE1      PHE  53  -5.591   5.494  -1.023
  193    HZ   PHE  53           HZ       PHE  53  -4.618   3.292  -0.538
  194    H    SER  54           HN       SER  54  -3.453   9.457   4.725
  195    HA   SER  54           HA       SER  54  -1.215  11.132   4.522
  196    HB2  SER  54           HB2      SER  54  -2.475  12.316   6.473
  197    HB3  SER  54           HB3      SER  54  -3.243  12.222   4.887
  198    HG   SER  54           HG       SER  54  -4.022  11.120   7.262
  199    H    GLY  55           HN       GLY  55  -1.982   8.572   6.711
  200    HA2  GLY  55           HA1      GLY  55  -0.482   9.242   8.947
  201    HA3  GLY  55           HA2      GLY  55  -0.790   7.605   8.389
  202    H    PHE  56           HN       PHE  56   0.653   7.043   6.360
  203    HA   PHE  56           HA       PHE  56   3.318   7.134   7.418
  204    HB2  PHE  56           HB2      PHE  56   2.507   5.104   6.287
  205    HB3  PHE  56           HB3      PHE  56   2.376   6.002   4.775
  206    HD1  PHE  56           HD1      PHE  56   4.704   4.588   7.239
  207    HD2  PHE  56           HD2      PHE  56   4.316   6.544   3.476
  208    HE1  PHE  56           HE1      PHE  56   7.069   4.128   6.754
  209    HE2  PHE  56           HE2      PHE  56   6.678   6.088   2.989
  210    HZ   PHE  56           HZ       PHE  56   8.062   4.869   4.629
  211    H    THR  57           HN       THR  57   1.671   8.526   4.667
  212    HA   THR  57           HA       THR  57   3.918   9.505   3.279
  213    HB   THR  57           HB       THR  57   1.190  10.778   3.364
  214    HG1  THR  57           HG1      THR  57   0.854   9.349   1.482
  215   HG21  THR  57          HG21      THR  57   3.319  10.717   1.217
  216   HG22  THR  57          HG22      THR  57   2.892  12.108   2.213
  217   HG23  THR  57          HG23      THR  57   1.726  11.460   1.059
  218    H    LYS  58           HN       LYS  58   2.390  10.547   6.143
  219    HA   LYS  58           HA       LYS  58   3.399  13.267   6.086
  220    HB2  LYS  58           HB2      LYS  58   1.267  12.667   7.252
  221    HB3  LYS  58           HB3      LYS  58   2.214  11.762   8.425
  222    HG2  LYS  58           HG2      LYS  58   1.589  13.977   9.247
  223    HG3  LYS  58           HG3      LYS  58   3.340  13.787   9.127
  224    HD2  LYS  58           HD2      LYS  58   3.359  15.023   7.041
  225    HD3  LYS  58           HD3      LYS  58   1.598  15.144   7.069
  226    HE2  LYS  58           HE2      LYS  58   2.665  17.214   7.822
  227    HE3  LYS  58           HE3      LYS  58   1.700  16.471   9.095
  228    HZ1  LYS  58           HZ1      LYS  58   3.734  15.560  10.050
  229    HZ2  LYS  58           HZ2      LYS  58   3.801  17.252   9.954
  230    HZ3  LYS  58           HZ3      LYS  58   4.658  16.307   8.834
  231    H    GLU  59           HN       GLU  59   4.218  10.182   7.590
  232    HA   GLU  59           HA       GLU  59   6.447  11.347   9.032
  233    HB2  GLU  59           HB2      GLU  59   6.458   9.461  10.263
  234    HB3  GLU  59           HB3      GLU  59   4.895   9.148   9.522
  235    HG2  GLU  59           HG2      GLU  59   5.879   7.729   7.882
  236    HG3  GLU  59           HG3      GLU  59   7.516   8.167   8.417
  237    H    GLN  60           HN       GLN  60   5.783   9.767   6.049
  238    HA   GLN  60           HA       GLN  60   8.273   8.901   5.221
  239    HB2  GLN  60           HB2      GLN  60   5.904   8.982   4.059
  240    HB3  GLN  60           HB3      GLN  60   6.511  10.483   3.385
  241    HG2  GLN  60           HG2      GLN  60   8.256   9.377   2.251
  242    HG3  GLN  60           HG3      GLN  60   7.957   7.866   3.119
  243   HE21  GLN  60          HE21      GLN  60   7.997   8.353   0.270
  244   HE22  GLN  60          HE22      GLN  60   6.442   7.894  -0.324
  245    H    GLN  61           HN       GLN  61   6.833  12.098   5.176
  246    HA   GLN  61           HA       GLN  61   8.989  13.590   4.176
  247    HB2  GLN  61           HB2      GLN  61   7.127  14.503   6.371
  248    HB3  GLN  61           HB3      GLN  61   7.934  15.498   5.165
  249    HG2  GLN  61           HG2      GLN  61   5.691  13.553   4.690
  250    HG3  GLN  61           HG3      GLN  61   5.596  15.310   4.649
  251   HE21  GLN  61          HE21      GLN  61   4.950  13.325   2.617
  252   HE22  GLN  61          HE22      GLN  61   5.891  13.750   1.229
  253    H    ARG  62           HN       ARG  62   8.214  12.483   7.428
  254    HA   ARG  62           HA       ARG  62  10.062  13.964   8.917
  255    HB2  ARG  62           HB2      ARG  62   8.116  12.041   9.407
  256    HB3  ARG  62           HB3      ARG  62   9.607  11.290   9.985
  257    HG2  ARG  62           HG2      ARG  62   8.518  13.985  10.844
  258    HG3  ARG  62           HG3      ARG  62   8.399  12.488  11.762
  259    HD2  ARG  62           HD2      ARG  62  10.193  13.724  12.701
  260    HD3  ARG  62           HD3      ARG  62  10.918  12.418  11.768
  261    HE   ARG  62           HE       ARG  62  10.801  14.581  10.059
  262   HH11  ARG  62          HH12      ARG  62  12.238  14.004  13.209
  263   HH12  ARG  62          HH11      ARG  62  13.631  15.003  12.879
  264   HH21  ARG  62          HH22      ARG  62  12.602  15.876   9.638
  265   HH22  ARG  62          HH21      ARG  62  13.853  16.042  10.835
  266    H    LEU  63           HN       LEU  63  10.276  10.585   7.808
  267    HA   LEU  63           HA       LEU  63  12.998  10.371   8.656
  268    HB2  LEU  63           HB2      LEU  63  11.204   8.527   7.115
  269    HB3  LEU  63           HB3      LEU  63  12.821   8.112   7.648
  270    HG   LEU  63           HG       LEU  63  11.287   7.146   9.146
  271   HD11  LEU  63          HD11      LEU  63  13.256   8.006  10.210
  272   HD12  LEU  63          HD12      LEU  63  12.472   9.573  10.422
  273   HD13  LEU  63          HD13      LEU  63  11.871   8.160  11.290
  274   HD21  LEU  63          HD21      LEU  63   9.576   8.239  10.352
  275   HD22  LEU  63          HD22      LEU  63  10.030   9.792   9.652
  276   HD23  LEU  63          HD23      LEU  63   9.356   8.524   8.622
  277    H    GLY  64           HN       GLY  64  11.886  12.131   6.373
  278    HA2  GLY  64           HA1      GLY  64  12.787  13.026   4.459
  279    HA3  GLY  64           HA2      GLY  64  14.296  12.243   4.920
  280    H    ILE  65           HN       ILE  65  11.343  10.489   4.474
  281    HA   ILE  65           HA       ILE  65  12.633   8.839   2.517
  282    HB   ILE  65           HB       ILE  65   9.821   8.657   3.607
  283   HG12  ILE  65          HG12      ILE  65  12.316   7.146   4.408
  284   HG13  ILE  65          HG13      ILE  65  11.524   8.388   5.368
  285   HG21  ILE  65          HG21      ILE  65  11.480   6.673   2.055
  286   HG22  ILE  65          HG22      ILE  65   9.898   6.346   2.762
  287   HG23  ILE  65          HG23      ILE  65  10.059   7.533   1.469
  288   HD11  ILE  65          HD11      ILE  65   9.572   6.988   5.633
  289   HD12  ILE  65          HD12      ILE  65  10.280   5.760   4.565
  290   HD13  ILE  65          HD13      ILE  65  11.017   6.109   6.133
  291    HA   PRO  66           HA       PRO  66  11.157  11.414  -0.900
  292    HB2  PRO  66           HB2      PRO  66  11.438   9.170  -2.614
  293    HB3  PRO  66           HB3      PRO  66  12.575  10.503  -2.416
  294    HG2  PRO  66           HG2      PRO  66  12.601   7.792  -1.225
  295    HG3  PRO  66           HG3      PRO  66  13.958   8.858  -1.628
  296    HD2  PRO  66           HD2      PRO  66  13.187   8.447   0.902
  297    HD3  PRO  66           HD3      PRO  66  13.780  10.030   0.355
  298    H    LYS  67           HN       LYS  67   9.069  11.681  -1.579
  299    HA   LYS  67           HA       LYS  67   7.092   9.923  -0.591
  300    HB2  LYS  67           HB2      LYS  67   5.504  11.352  -2.039
  301    HB3  LYS  67           HB3      LYS  67   6.311  12.080  -0.665
  302    HG2  LYS  67           HG2      LYS  67   6.265  13.580  -2.561
  303    HG3  LYS  67           HG3      LYS  67   7.917  13.142  -2.152
  304    HD2  LYS  67           HD2      LYS  67   7.505  13.186  -4.582
  305    HD3  LYS  67           HD3      LYS  67   8.006  11.596  -4.006
  306    HE2  LYS  67           HE2      LYS  67   5.715  10.813  -4.087
  307    HE3  LYS  67           HE3      LYS  67   5.152  12.421  -4.541
  308    HZ1  LYS  67           HZ1      LYS  67   5.482  10.688  -6.375
  309    HZ2  LYS  67           HZ2      LYS  67   7.136  10.998  -6.202
  310    HZ3  LYS  67           HZ3      LYS  67   6.080  12.250  -6.641
  311    H    ASP  68           HN       ASP  68   8.816   9.892  -3.529
  312    HA   ASP  68           HA       ASP  68   6.823   8.263  -4.912
  313    HB2  ASP  68           HB2      ASP  68   8.466   9.958  -6.012
  314    HB3  ASP  68           HB3      ASP  68   9.683   8.705  -5.783
  315    HA   PRO  69           HA       PRO  69   8.867   4.640  -3.336
  316    HB2  PRO  69           HB2      PRO  69   7.342   2.790  -4.425
  317    HB3  PRO  69           HB3      PRO  69   6.624   4.017  -3.373
  318    HG2  PRO  69           HG2      PRO  69   6.527   3.771  -6.337
  319    HG3  PRO  69           HG3      PRO  69   5.306   4.404  -5.221
  320    HD2  PRO  69           HD2      PRO  69   7.229   5.884  -6.726
  321    HD3  PRO  69           HD3      PRO  69   6.082   6.514  -5.520
  322    H    ARG  70           HN       ARG  70   9.638   5.681  -6.329
  323    HA   ARG  70           HA       ARG  70  10.664   3.129  -7.329
  324    HB2  ARG  70           HB2      ARG  70  10.164   5.799  -8.560
  325    HB3  ARG  70           HB3      ARG  70  11.375   4.756  -9.290
  326    HG2  ARG  70           HG2      ARG  70   9.337   4.384 -10.432
  327    HG3  ARG  70           HG3      ARG  70   9.638   2.969  -9.427
  328    HD2  ARG  70           HD2      ARG  70   7.326   3.480  -9.209
  329    HD3  ARG  70           HD3      ARG  70   8.105   3.999  -7.711
  330    HE   ARG  70           HE       ARG  70   7.967   6.273  -8.459
  331   HH11  ARG  70          HH12      ARG  70   6.140   3.985 -10.404
  332   HH12  ARG  70          HH11      ARG  70   5.046   5.189 -11.000
  333   HH21  ARG  70          HH22      ARG  70   6.541   7.835  -9.227
  334   HH22  ARG  70          HH21      ARG  70   5.285   7.394 -10.360
  335    H    GLN  71           HN       GLN  71  11.811   5.165  -5.189
  336    HA   GLN  71           HA       GLN  71  14.595   4.729  -6.003
  337    HB2  GLN  71           HB2      GLN  71  15.276   6.968  -5.719
  338    HB3  GLN  71           HB3      GLN  71  13.777   7.076  -6.631
  339    HG2  GLN  71           HG2      GLN  71  14.060   7.491  -3.664
  340    HG3  GLN  71           HG3      GLN  71  13.879   8.756  -4.880
  341   HE21  GLN  71          HE21      GLN  71  12.314   6.021  -3.342
  342   HE22  GLN  71          HE22      GLN  71  10.688   6.517  -3.682
  343    H    TRP  72           HN       TRP  72  12.596   3.825  -3.844
  344    HA   TRP  72           HA       TRP  72  13.564   4.807  -1.381
  345    HB2  TRP  72           HB2      TRP  72  11.669   2.689  -2.329
  346    HB3  TRP  72           HB3      TRP  72  12.232   2.617  -0.660
  347    HD1  TRP  72           HD1      TRP  72  12.107   6.133  -1.071
  348    HE1  TRP  72           HE1      TRP  72   9.823   7.111  -0.416
  349    HE3  TRP  72           HE3      TRP  72   9.349   1.849  -1.102
  350    HZ2  TRP  72           HZ2      TRP  72   7.187   6.184   0.029
  351    HZ3  TRP  72           HZ3      TRP  72   6.958   1.976  -0.554
  352    HH2  TRP  72           HH2      TRP  72   5.904   4.098  -0.001
  353    H    THR  73           HN       THR  73  14.786   3.699   0.210
  354    HA   THR  73           HA       THR  73  16.425   1.501  -0.664
  355    HB   THR  73           HB       THR  73  17.365   1.605   1.615
  356    HG1  THR  73           HG1      THR  73  16.569   3.194   3.055
  357   HG21  THR  73          HG21      THR  73  18.224   3.133  -0.127
  358   HG22  THR  73          HG22      THR  73  18.345   3.821   1.492
  359   HG23  THR  73          HG23      THR  73  17.064   4.355   0.403
  360    H    GLU  74           HN       GLU  74  16.510  -0.480   0.855
  361    HA   GLU  74           HA       GLU  74  14.145  -1.892   0.796
  362    HB2  GLU  74           HB2      GLU  74  16.409  -2.249   2.772
  363    HB3  GLU  74           HB3      GLU  74  15.197  -3.456   2.369
  364    HG2  GLU  74           HG2      GLU  74  16.024  -3.607   0.116
  365    HG3  GLU  74           HG3      GLU  74  17.159  -2.293   0.410
  366    H    THR  75           HN       THR  75  15.562  -0.145   3.547
  367    HA   THR  75           HA       THR  75  13.582  -0.707   5.422
  368    HB   THR  75           HB       THR  75  15.227   1.818   5.288
  369    HG1  THR  75           HG1      THR  75  15.909  -0.772   6.284
  370   HG21  THR  75          HG21      THR  75  13.526   1.802   7.037
  371   HG22  THR  75          HG22      THR  75  15.135   1.655   7.744
  372   HG23  THR  75          HG23      THR  75  14.101   0.234   7.601
  373    H    HIS  76           HN       HIS  76  13.644   1.693   2.852
  374    HA   HIS  76           HA       HIS  76  11.553   3.324   3.984
  375    HB2  HIS  76           HB2      HIS  76  12.854   3.258   1.260
  376    HB3  HIS  76           HB3      HIS  76  11.513   4.335   1.644
  377    HD1  HIS  76           HD1      HIS  76  14.228   5.530   0.841
  378    HD2  HIS  76           HD2      HIS  76  13.051   4.815   4.768
  379    HE1  HIS  76           HE1      HIS  76  15.623   7.059   2.248
  380    HE2  HIS  76           HE2      HIS  76  14.893   6.632   4.633
  381    H    VAL  77           HN       VAL  77  11.818   0.888   1.453
  382    HA   VAL  77           HA       VAL  77   9.140   0.901   0.649
  383    HB   VAL  77           HB       VAL  77  11.266  -1.238   0.466
  384   HG11  VAL  77          HG11      VAL  77   9.825  -2.376  -1.134
  385   HG12  VAL  77          HG12      VAL  77   9.052  -2.269   0.447
  386   HG13  VAL  77          HG13      VAL  77   8.557  -1.184  -0.851
  387   HG21  VAL  77          HG21      VAL  77  11.713   0.804  -0.823
  388   HG22  VAL  77          HG22      VAL  77  11.386  -0.563  -1.893
  389   HG23  VAL  77          HG23      VAL  77  10.142   0.659  -1.608
  390    H    ARG  78           HN       ARG  78  10.941  -1.223   2.891
  391    HA   ARG  78           HA       ARG  78   8.747  -2.803   3.641
  392    HB2  ARG  78           HB2      ARG  78  11.272  -2.176   5.168
  393    HB3  ARG  78           HB3      ARG  78  10.092  -3.376   5.672
  394    HG2  ARG  78           HG2      ARG  78  10.485  -4.443   3.373
  395    HG3  ARG  78           HG3      ARG  78  11.925  -3.424   3.303
  396    HD2  ARG  78           HD2      ARG  78  11.262  -5.476   5.410
  397    HD3  ARG  78           HD3      ARG  78  12.509  -5.607   4.170
  398    HE   ARG  78           HE       ARG  78  12.708  -3.389   6.069
  399   HH11  ARG  78          HH12      ARG  78  13.869  -6.520   4.980
  400   HH12  ARG  78          HH11      ARG  78  15.292  -6.478   5.982
  401   HH21  ARG  78          HH22      ARG  78  14.581  -3.347   7.389
  402   HH22  ARG  78          HH21      ARG  78  15.696  -4.683   7.345
  403    H    ASP  79           HN       ASP  79   9.870   0.295   4.842
  404    HA   ASP  79           HA       ASP  79   8.386   0.426   7.226
  405    HB2  ASP  79           HB2      ASP  79  10.074   2.146   5.864
  406    HB3  ASP  79           HB3      ASP  79   8.512   2.964   5.760
  407    H    TRP  80           HN       TRP  80   7.624   1.416   3.916
  408    HA   TRP  80           HA       TRP  80   5.011   2.385   4.578
  409    HB2  TRP  80           HB2      TRP  80   5.922   3.480   2.759
  410    HB3  TRP  80           HB3      TRP  80   6.734   2.036   2.167
  411    HD1  TRP  80           HD1      TRP  80   3.380   3.857   1.998
  412    HE1  TRP  80           HE1      TRP  80   2.086   2.894  -0.007
  413    HE3  TRP  80           HE3      TRP  80   6.448  -0.043   0.824
  414    HZ2  TRP  80           HZ2      TRP  80   2.330   0.779  -1.858
  415    HZ3  TRP  80           HZ3      TRP  80   5.850  -1.497  -1.060
  416    HH2  TRP  80           HH2      TRP  80   3.830  -1.100  -2.366
  417    H    VAL  81           HN       VAL  81   6.520  -0.511   3.533
  418    HA   VAL  81           HA       VAL  81   4.343  -1.948   2.491
  419    HB   VAL  81           HB       VAL  81   7.086  -2.562   3.465
  420   HG11  VAL  81          HG11      VAL  81   5.806  -4.315   4.591
  421   HG12  VAL  81          HG12      VAL  81   5.083  -4.772   3.049
  422   HG13  VAL  81          HG13      VAL  81   6.821  -4.960   3.299
  423   HG21  VAL  81          HG21      VAL  81   6.697  -1.998   1.146
  424   HG22  VAL  81          HG22      VAL  81   7.233  -3.675   1.280
  425   HG23  VAL  81          HG23      VAL  81   5.530  -3.315   1.001
  426    H    MET  82           HN       MET  82   5.906  -2.165   5.659
  427    HA   MET  82           HA       MET  82   3.769  -3.686   6.754
  428    HB2  MET  82           HB2      MET  82   4.874  -3.461   8.886
  429    HB3  MET  82           HB3      MET  82   6.032  -3.867   7.630
  430    HG2  MET  82           HG2      MET  82   6.678  -1.482   7.515
  431    HG3  MET  82           HG3      MET  82   5.605  -1.172   8.882
  432    HE1  MET  82           HE1      MET  82   5.864  -2.627  11.198
  433    HE2  MET  82           HE2      MET  82   6.166  -4.130  10.326
  434    HE3  MET  82           HE3      MET  82   7.295  -3.591  11.569
  435    H    TRP  83           HN       TRP  83   4.034  -0.297   6.187
  436    HA   TRP  83           HA       TRP  83   2.508   0.500   8.471
  437    HB2  TRP  83           HB2      TRP  83   3.850   2.192   7.372
  438    HB3  TRP  83           HB3      TRP  83   3.022   1.931   5.842
  439    HD1  TRP  83           HD1      TRP  83   2.497   3.529   9.284
  440    HE1  TRP  83           HE1      TRP  83   0.517   5.169   9.115
  441    HE3  TRP  83           HE3      TRP  83   0.925   2.410   4.557
  442    HZ2  TRP  83           HZ2      TRP  83  -1.443   5.883   7.221
  443    HZ3  TRP  83           HZ3      TRP  83  -1.007   3.616   3.639
  444    HH2  TRP  83           HH2      TRP  83  -2.164   5.314   4.943
  445    H    ALA  84           HN       ALA  84   1.545   0.098   5.024
  446    HA   ALA  84           HA       ALA  84  -1.197   0.555   5.568
  447    HB1  ALA  84           HB1      ALA  84  -1.642  -0.487   3.400
  448    HB2  ALA  84           HB2      ALA  84  -0.274   0.625   3.284
  449    HB3  ALA  84           HB3      ALA  84   0.007  -1.117   3.347
  450    H    VAL  85           HN       VAL  85   0.842  -2.241   5.532
  451    HA   VAL  85           HA       VAL  85  -0.970  -4.258   6.132
  452    HB   VAL  85           HB       VAL  85   1.965  -3.833   6.500
  453   HG11  VAL  85          HG11      VAL  85   0.672  -6.401   7.382
  454   HG12  VAL  85          HG12      VAL  85   2.352  -5.914   7.545
  455   HG13  VAL  85          HG13      VAL  85   1.110  -5.129   8.519
  456   HG21  VAL  85          HG21      VAL  85   0.316  -5.852   5.003
  457   HG22  VAL  85          HG22      VAL  85   1.111  -4.428   4.330
  458   HG23  VAL  85          HG23      VAL  85   2.078  -5.749   4.987
  459    H    ASN  86           HN       ASN  86   0.954  -2.281   8.471
  460    HA   ASN  86           HA       ASN  86  -0.250  -3.674  10.624
  461    HB2  ASN  86           HB2      ASN  86   0.906  -2.209  12.147
  462    HB3  ASN  86           HB3      ASN  86   1.980  -2.815  10.905
  463   HD21  ASN  86          HD21      ASN  86  -0.215  -0.267  10.132
  464   HD22  ASN  86          HD22      ASN  86   0.962   1.009  10.104
  465    H    GLU  87           HN       GLU  87  -1.303  -1.057   8.762
  466    HA   GLU  87           HA       GLU  87  -2.955   0.209  10.761
  467    HB2  GLU  87           HB2      GLU  87  -2.313   1.561   8.885
  468    HB3  GLU  87           HB3      GLU  87  -2.825   0.334   7.739
  469    HG2  GLU  87           HG2      GLU  87  -4.399   2.127   7.706
  470    HG3  GLU  87           HG3      GLU  87  -5.167   0.719   8.434
  471    H    PHE  88           HN       PHE  88  -3.197  -2.165   8.242
  472    HA   PHE  88           HA       PHE  88  -5.964  -2.777   8.752
  473    HB2  PHE  88           HB2      PHE  88  -3.828  -3.649   6.865
  474    HB3  PHE  88           HB3      PHE  88  -5.193  -4.741   7.137
  475    HD1  PHE  88           HD1      PHE  88  -7.473  -4.059   6.532
  476    HD2  PHE  88           HD2      PHE  88  -4.104  -1.609   5.678
  477    HE1  PHE  88           HE1      PHE  88  -8.818  -2.773   4.931
  478    HE2  PHE  88           HE2      PHE  88  -5.448  -0.313   4.074
  479    HZ   PHE  88           HZ       PHE  88  -7.850  -0.888   3.745
  480    H    SER  89           HN       SER  89  -3.385  -3.323  10.555
  481    HA   SER  89           HA       SER  89  -2.538  -4.919  11.930
  482    HB2  SER  89           HB2      SER  89  -5.454  -5.732  12.025
  483    HB3  SER  89           HB3      SER  89  -4.226  -6.172  13.212
  484    HG   SER  89           HG       SER  89  -5.530  -3.744  12.795
  485    H    LEU  90           HN       LEU  90  -2.231  -5.600   9.231
  486    HA   LEU  90           HA       LEU  90  -3.238  -8.198   8.651
  487    HB2  LEU  90           HB2      LEU  90  -0.886  -6.750   7.413
  488    HB3  LEU  90           HB3      LEU  90  -1.785  -8.082   6.698
  489    HG   LEU  90           HG       LEU  90  -2.855  -5.302   7.275
  490   HD11  LEU  90          HD11      LEU  90  -2.254  -6.716   4.671
  491   HD12  LEU  90          HD12      LEU  90  -3.034  -5.142   4.836
  492   HD13  LEU  90          HD13      LEU  90  -1.365  -5.358   5.360
  493   HD21  LEU  90          HD21      LEU  90  -4.888  -6.099   6.125
  494   HD22  LEU  90          HD22      LEU  90  -4.198  -7.719   6.020
  495   HD23  LEU  90          HD23      LEU  90  -4.572  -7.021   7.596
  496    H    LYS  91           HN       LYS  91  -0.117  -6.930   9.682
  497    HA   LYS  91           HA       LYS  91   1.572  -7.796  10.917
  498    HB2  LYS  91           HB2      LYS  91  -0.792  -9.229  12.103
  499    HB3  LYS  91           HB3      LYS  91   0.813  -9.241  12.822
  500    HG2  LYS  91           HG2      LYS  91   0.729  -6.788  12.979
  501    HG3  LYS  91           HG3      LYS  91  -0.919  -6.831  12.341
  502    HD2  LYS  91           HD2      LYS  91  -1.705  -8.035  14.243
  503    HD3  LYS  91           HD3      LYS  91  -0.059  -8.316  14.822
  504    HE2  LYS  91           HE2      LYS  91  -1.456  -5.648  14.627
  505    HE3  LYS  91           HE3      LYS  91  -1.138  -6.554  16.107
  506    HZ1  LYS  91           HZ1      LYS  91   0.889  -5.376  14.279
  507    HZ2  LYS  91           HZ2      LYS  91   1.259  -6.352  15.614
  508    HZ3  LYS  91           HZ3      LYS  91   0.511  -4.846  15.846
  509    H    GLY  92           HN       GLY  92   0.809  -9.480   8.421
  510    HA2  GLY  92           HA1      GLY  92   2.540 -11.690   9.198
  511    HA3  GLY  92           HA2      GLY  92   0.975 -12.068   8.485
  512    H    VAL  93           HN       VAL  93   3.346  -9.551   7.808
  513    HA   VAL  93           HA       VAL  93   3.228 -10.233   4.972
  514    HB   VAL  93           HB       VAL  93   3.413  -7.755   6.395
  515   HG11  VAL  93          HG11      VAL  93   5.193  -6.659   5.114
  516   HG12  VAL  93          HG12      VAL  93   5.830  -7.894   6.201
  517   HG13  VAL  93          HG13      VAL  93   5.686  -8.226   4.474
  518   HG21  VAL  93          HG21      VAL  93   1.976  -8.327   4.474
  519   HG22  VAL  93          HG22      VAL  93   2.901  -6.843   4.234
  520   HG23  VAL  93          HG23      VAL  93   3.418  -8.334   3.445
  521    H    ASP  94           HN       ASP  94   4.879 -11.194   3.972
  522    HA   ASP  94           HA       ASP  94   7.094 -12.037   5.620
  523    HB2  ASP  94           HB2      ASP  94   5.953 -13.525   3.912
  524    HB3  ASP  94           HB3      ASP  94   6.689 -12.524   2.662
  525    H    PHE  95           HN       PHE  95   8.479 -10.434   6.021
  526    HA   PHE  95           HA       PHE  95   8.770  -8.181   4.344
  527    HB2  PHE  95           HB2      PHE  95  10.397  -9.172   6.695
  528    HB3  PHE  95           HB3      PHE  95  10.757  -7.666   5.859
  529    HD1  PHE  95           HD2      PHE  95   8.320  -9.425   7.963
  530    HD2  PHE  95           HD1      PHE  95   9.418  -5.715   6.195
  531    HE1  PHE  95           HE2      PHE  95   6.687  -8.265   9.390
  532    HE2  PHE  95           HE1      PHE  95   7.790  -4.549   7.620
  533    HZ   PHE  95           HZ       PHE  95   6.433  -5.791   9.207
  534    H    GLN  96           HN       GLN  96  10.267 -11.235   4.538
  535    HA   GLN  96           HA       GLN  96  12.648 -10.636   3.102
  536    HB2  GLN  96           HB2      GLN  96  12.304 -12.636   4.567
  537    HB3  GLN  96           HB3      GLN  96  11.214 -13.278   3.342
  538    HG2  GLN  96           HG2      GLN  96  13.526 -14.199   3.296
  539    HG3  GLN  96           HG3      GLN  96  12.954 -13.517   1.777
  540   HE21  GLN  96          HE21      GLN  96  14.003 -11.557   4.489
  541   HE22  GLN  96          HE22      GLN  96  15.423 -10.931   3.711
  542    H    LYS  97           HN       LYS  97   9.410 -11.645   2.230
  543    HA   LYS  97           HA       LYS  97  10.017 -11.969  -0.548
  544    HB2  LYS  97           HB2      LYS  97   7.929 -12.755   1.012
  545    HB3  LYS  97           HB3      LYS  97   7.238 -11.317   0.276
  546    HG2  LYS  97           HG2      LYS  97   8.333 -13.720  -1.171
  547    HG3  LYS  97           HG3      LYS  97   6.636 -13.284  -0.988
  548    HD2  LYS  97           HD2      LYS  97   7.019 -11.241  -2.275
  549    HD3  LYS  97           HD3      LYS  97   8.724 -11.665  -2.443
  550    HE2  LYS  97           HE2      LYS  97   6.356 -13.154  -3.564
  551    HE3  LYS  97           HE3      LYS  97   7.580 -12.264  -4.466
  552    HZ1  LYS  97           HZ1      LYS  97   7.809 -14.861  -3.095
  553    HZ2  LYS  97           HZ2      LYS  97   9.195 -13.921  -3.363
  554    HZ3  LYS  97           HZ3      LYS  97   8.259 -14.441  -4.678
  555    H    PHE  98           HN       PHE  98   9.195  -9.464   1.641
  556    HA   PHE  98           HA       PHE  98   8.501  -7.526  -0.402
  557    HB2  PHE  98           HB2      PHE  98   8.421  -7.608   2.577
  558    HB3  PHE  98           HB3      PHE  98   8.484  -6.040   1.776
  559    HD1  PHE  98           HD1      PHE  98   6.698  -5.316   0.331
  560    HD2  PHE  98           HD2      PHE  98   6.457  -8.986   2.467
  561    HE1  PHE  98           HE1      PHE  98   4.279  -5.389  -0.084
  562    HE2  PHE  98           HE2      PHE  98   4.041  -9.064   2.050
  563    HZ   PHE  98           HZ       PHE  98   2.955  -7.264   0.781
  564    H    CYS  99           HN       CYS  99  11.242  -8.748  -0.054
  565    HA   CYS  99           HA       CYS  99  12.948  -6.637   0.843
  566    HB2  CYS  99           HB2      CYS  99  13.538  -9.088   0.824
  567    HB3  CYS  99           HB3      CYS  99  13.644  -8.977  -0.932
  568    HG   CYS  99           HG       CYS  99  15.750  -7.094  -0.870
  569    H    MET 100           HN       MET 100  11.964  -4.917  -0.440
  570    HA   MET 100           HA       MET 100  13.151  -4.836  -3.126
  571    HB2  MET 100           HB2      MET 100  10.522  -3.694  -2.195
  572    HB3  MET 100           HB3      MET 100  11.329  -3.116  -3.646
  573    HG2  MET 100           HG2      MET 100   9.857  -4.606  -4.526
  574    HG3  MET 100           HG3      MET 100  11.289  -5.629  -4.316
  575    HE1  MET 100           HE1      MET 100   8.835  -4.297  -1.546
  576    HE2  MET 100           HE2      MET 100   7.763  -4.663  -2.896
  577    HE3  MET 100           HE3      MET 100   7.693  -5.634  -1.425
  578    H    SER 101           HN       SER 101  14.448  -3.174  -3.534
  579    HA   SER 101           HA       SER 101  14.353  -0.810  -1.856
  580    HB2  SER 101           HB2      SER 101  16.003   0.063  -3.577
  581    HB3  SER 101           HB3      SER 101  16.544  -1.382  -2.722
  582    HG   SER 101           HG       SER 101  16.856  -2.075  -4.694
  583    H    GLY 102           HN       GLY 102  13.857   1.301  -3.139
  584    HA2  GLY 102           HA1      GLY 102  11.249   1.214  -3.986
  585    HA3  GLY 102           HA2      GLY 102  12.360   2.502  -4.394
  586    H    ALA 103           HN       ALA 103  14.143   1.159  -6.118
  587    HA   ALA 103           HA       ALA 103  12.706   1.219  -8.520
  588    HB1  ALA 103           HB1      ALA 103  14.732   0.314  -9.550
  589    HB2  ALA 103           HB2      ALA 103  15.127   1.587  -8.396
  590    HB3  ALA 103           HB3      ALA 103  15.359  -0.105  -7.956
  591    H    ALA 104           HN       ALA 104  13.676  -1.427  -6.434
  592    HA   ALA 104           HA       ALA 104  12.647  -3.511  -8.064
  593    HB1  ALA 104           HB1      ALA 104  12.880  -4.906  -6.066
  594    HB2  ALA 104           HB2      ALA 104  14.322  -3.922  -6.328
  595    HB3  ALA 104           HB3      ALA 104  13.153  -3.462  -5.088
  596    H    LEU 105           HN       LEU 105  11.353  -1.802  -5.167
  597    HA   LEU 105           HA       LEU 105   8.927  -2.852  -4.876
  598    HB2  LEU 105           HB2      LEU 105   9.792  -0.986  -3.537
  599    HB3  LEU 105           HB3      LEU 105   9.569   0.114  -4.893
  600    HG   LEU 105           HG       LEU 105   7.141  -0.370  -4.824
  601   HD11  LEU 105          HD11      LEU 105   7.902  -1.908  -2.354
  602   HD12  LEU 105          HD12      LEU 105   6.251  -1.442  -2.775
  603   HD13  LEU 105          HD13      LEU 105   7.153  -2.544  -3.822
  604   HD21  LEU 105          HD21      LEU 105   8.284   0.641  -2.237
  605   HD22  LEU 105          HD22      LEU 105   8.058   1.586  -3.708
  606   HD23  LEU 105          HD23      LEU 105   6.658   0.942  -2.852
  607    H    CYS 106           HN       CYS 106   9.652  -0.279  -7.100
  608    HA   CYS 106           HA       CYS 106   7.183  -0.253  -8.383
  609    HB2  CYS 106           HB2      CYS 106   8.771   1.573  -8.501
  610    HB3  CYS 106           HB3      CYS 106   9.898   0.552  -9.391
  611    HG   CYS 106           HG       CYS 106   8.097   0.285 -11.612
  612    H    ALA 107           HN       ALA 107  10.257  -1.765  -9.422
  613    HA   ALA 107           HA       ALA 107   9.525  -2.633 -11.886
  614    HB1  ALA 107           HB1      ALA 107  11.330  -4.240 -11.727
  615    HB2  ALA 107           HB2      ALA 107  11.787  -2.700 -10.999
  616    HB3  ALA 107           HB3      ALA 107  11.347  -4.063  -9.971
  617    H    LEU 108           HN       LEU 108   8.628  -4.203  -8.841
  618    HA   LEU 108           HA       LEU 108   8.040  -6.709  -9.903
  619    HB2  LEU 108           HB2      LEU 108   6.361  -6.849  -7.956
  620    HB3  LEU 108           HB3      LEU 108   8.069  -6.734  -7.614
  621    HG   LEU 108           HG       LEU 108   7.727  -4.275  -7.151
  622   HD11  LEU 108          HD11      LEU 108   5.662  -3.808  -8.283
  623   HD12  LEU 108          HD12      LEU 108   4.814  -5.060  -7.372
  624   HD13  LEU 108          HD13      LEU 108   5.392  -3.601  -6.555
  625   HD21  LEU 108          HD21      LEU 108   6.254  -6.295  -5.480
  626   HD22  LEU 108          HD22      LEU 108   7.970  -5.898  -5.391
  627   HD23  LEU 108          HD23      LEU 108   6.760  -4.695  -4.936
  628    H    GLY 109           HN       GLY 109   6.027  -3.800  -9.844
  629    HA2  GLY 109           HA1      GLY 109   4.107  -3.333 -11.039
  630    HA3  GLY 109           HA2      GLY 109   4.317  -4.863 -11.884
  631    H    LYS 110           HN       LYS 110   1.811  -3.976 -11.098
  632    HA   LYS 110           HA       LYS 110   0.808  -4.705  -8.686
  633    HB2  LYS 110           HB2      LYS 110  -1.049  -4.058  -9.739
  634    HB3  LYS 110           HB3      LYS 110  -0.273  -4.261 -11.299
  635    HG2  LYS 110           HG2      LYS 110  -2.236  -5.555 -11.378
  636    HG3  LYS 110           HG3      LYS 110  -0.920  -6.700 -11.158
  637    HD2  LYS 110           HD2      LYS 110  -1.507  -6.378  -8.622
  638    HD3  LYS 110           HD3      LYS 110  -3.071  -5.896  -9.281
  639    HE2  LYS 110           HE2      LYS 110  -1.668  -8.479  -9.987
  640    HE3  LYS 110           HE3      LYS 110  -2.863  -8.343  -8.703
  641    HZ1  LYS 110           HZ1      LYS 110  -4.501  -7.644 -10.333
  642    HZ2  LYS 110           HZ2      LYS 110  -3.839  -9.145 -10.769
  643    HZ3  LYS 110           HZ3      LYS 110  -3.353  -7.736 -11.578
  644    H    GLU 111           HN       GLU 111   1.092  -7.017 -11.442
  645    HA   GLU 111           HA       GLU 111  -0.094  -9.128 -10.100
  646    HB2  GLU 111           HB2      GLU 111   1.901  -9.140 -12.353
  647    HB3  GLU 111           HB3      GLU 111   1.109 -10.598 -11.765
  648    HG2  GLU 111           HG2      GLU 111  -1.077  -9.584 -12.259
  649    HG3  GLU 111           HG3      GLU 111  -0.253  -8.169 -12.910
  650    H    CYS 112           HN       CYS 112   3.359  -8.393 -10.294
  651    HA   CYS 112           HA       CYS 112   4.160 -10.652  -8.806
  652    HB2  CYS 112           HB2      CYS 112   5.711  -9.326 -10.237
  653    HB3  CYS 112           HB3      CYS 112   5.648  -8.033  -9.042
  654    HG   CYS 112           HG       CYS 112   6.763 -11.189  -8.360
  655    H    PHE 113           HN       PHE 113   3.691  -7.236  -7.823
  656    HA   PHE 113           HA       PHE 113   4.280  -7.488  -5.160
  657    HB2  PHE 113           HB2      PHE 113   3.573  -5.387  -6.529
  658    HB3  PHE 113           HB3      PHE 113   1.943  -5.793  -6.008
  659    HD1  PHE 113           HD2      PHE 113   1.671  -6.229  -3.457
  660    HD2  PHE 113           HD1      PHE 113   4.883  -3.983  -5.162
  661    HE1  PHE 113           HE2      PHE 113   2.095  -5.184  -1.284
  662    HE2  PHE 113           HE1      PHE 113   5.299  -2.958  -2.980
  663    HZ   PHE 113           HZ       PHE 113   3.920  -3.563  -1.039
  664    H    LEU 114           HN       LEU 114   1.148  -8.220  -6.702
  665    HA   LEU 114           HA       LEU 114  -0.024  -8.718  -4.123
  666    HB2  LEU 114           HB2      LEU 114  -1.304  -9.658  -6.644
  667    HB3  LEU 114           HB3      LEU 114  -2.048  -9.136  -5.145
  668    HG   LEU 114           HG       LEU 114  -1.098  -7.549  -7.453
  669   HD11  LEU 114          HD11      LEU 114  -3.108  -6.250  -6.868
  670   HD12  LEU 114          HD12      LEU 114  -3.447  -7.957  -7.147
  671   HD13  LEU 114          HD13      LEU 114  -3.374  -7.333  -5.502
  672   HD21  LEU 114          HD21      LEU 114  -1.241  -6.307  -4.725
  673   HD22  LEU 114          HD22      LEU 114   0.265  -6.710  -5.548
  674   HD23  LEU 114          HD23      LEU 114  -0.836  -5.525  -6.254
  675    H    GLU 115           HN       GLU 115   1.597 -10.631  -6.515
  676    HA   GLU 115           HA       GLU 115   0.974 -13.119  -5.238
  677    HB2  GLU 115           HB2      GLU 115   3.226 -12.338  -7.090
  678    HB3  GLU 115           HB3      GLU 115   2.980 -13.970  -6.488
  679    HG2  GLU 115           HG2      GLU 115   0.761 -13.993  -7.569
  680    HG3  GLU 115           HG3      GLU 115   1.116 -12.401  -8.245
  681    H    LEU 116           HN       LEU 116   2.825 -10.462  -4.546
  682    HA   LEU 116           HA       LEU 116   5.076 -11.784  -3.301
  683    HB2  LEU 116           HB2      LEU 116   5.804  -9.956  -4.438
  684    HB3  LEU 116           HB3      LEU 116   4.307  -9.074  -4.197
  685    HG   LEU 116           HG       LEU 116   5.832  -9.394  -1.736
  686   HD11  LEU 116          HD11      LEU 116   7.036  -7.878  -4.048
  687   HD12  LEU 116          HD12      LEU 116   7.573  -7.780  -2.369
  688   HD13  LEU 116          HD13      LEU 116   7.729  -9.295  -3.258
  689   HD21  LEU 116          HD21      LEU 116   4.794  -7.023  -3.265
  690   HD22  LEU 116          HD22      LEU 116   3.925  -7.908  -2.009
  691   HD23  LEU 116          HD23      LEU 116   5.387  -7.008  -1.603
  692    H    ALA 117           HN       ALA 117   2.107 -10.248  -2.435
  693    HA   ALA 117           HA       ALA 117   2.593 -11.025   0.368
  694    HB1  ALA 117           HB1      ALA 117   1.175  -9.149   1.077
  695    HB2  ALA 117           HB2      ALA 117   2.584  -8.577   0.184
  696    HB3  ALA 117           HB3      ALA 117   1.008  -8.636  -0.605
  697    HA   PRO 118           HA       PRO 118  -1.576 -12.973   0.237
  698    HB2  PRO 118           HB2      PRO 118  -2.532 -10.681   1.893
  699    HB3  PRO 118           HB3      PRO 118  -2.839 -12.410   2.093
  700    HG2  PRO 118           HG2      PRO 118  -1.085 -11.150   3.654
  701    HG3  PRO 118           HG3      PRO 118  -0.778 -12.800   3.081
  702    HD2  PRO 118           HD2      PRO 118   0.447 -10.234   2.212
  703    HD3  PRO 118           HD3      PRO 118   1.144 -11.866   2.246
  704    H    ASP 119           HN       ASP 119  -3.181 -12.716  -1.215
  705    HA   ASP 119           HA       ASP 119  -2.779 -10.945  -3.256
  706    HB2  ASP 119           HB2      ASP 119  -5.266 -12.514  -2.614
  707    HB3  ASP 119           HB3      ASP 119  -5.017 -11.643  -4.124
  708    H    PHE 120           HN       PHE 120  -4.697 -10.219  -0.398
  709    HA   PHE 120           HA       PHE 120  -5.879  -7.959  -1.807
  710    HB2  PHE 120           HB2      PHE 120  -7.430  -9.178  -0.314
  711    HB3  PHE 120           HB3      PHE 120  -6.379  -8.791   1.048
  712    HD1  PHE 120           HD1      PHE 120  -7.409  -6.629  -1.785
  713    HD2  PHE 120           HD2      PHE 120  -7.671  -7.410   2.390
  714    HE1  PHE 120           HE1      PHE 120  -8.634  -4.519  -1.468
  715    HE2  PHE 120           HE2      PHE 120  -8.894  -5.304   2.712
  716    HZ   PHE 120           HZ       PHE 120  -9.275  -3.799   0.783
  717    H    VAL 121           HN       VAL 121  -3.522  -8.846   0.499
  718    HA   VAL 121           HA       VAL 121  -3.035  -6.270   1.577
  719    HB   VAL 121           HB       VAL 121  -1.350  -8.768   1.535
  720   HG11  VAL 121          HG11      VAL 121  -0.172  -7.778   3.436
  721   HG12  VAL 121          HG12      VAL 121  -0.001  -6.789   1.984
  722   HG13  VAL 121          HG13      VAL 121  -1.123  -6.301   3.254
  723   HG21  VAL 121          HG21      VAL 121  -2.323  -9.234   3.669
  724   HG22  VAL 121          HG22      VAL 121  -3.161  -7.676   3.670
  725   HG23  VAL 121          HG23      VAL 121  -3.626  -8.920   2.505
  726    H    GLY 122           HN       GLY 122  -1.527  -8.282  -0.934
  727    HA2  GLY 122           HA1      GLY 122   0.481  -6.559  -1.750
  728    HA3  GLY 122           HA2      GLY 122  -0.416  -7.640  -2.814
  729    H    ASP 123           HN       ASP 123  -2.977  -6.566  -2.608
  730    HA   ASP 123           HA       ASP 123  -2.705  -4.360  -4.413
  731    HB2  ASP 123           HB2      ASP 123  -4.409  -5.976  -4.880
  732    HB3  ASP 123           HB3      ASP 123  -5.116  -5.785  -3.276
  733    H    ILE 124           HN       ILE 124  -3.862  -4.795  -1.096
  734    HA   ILE 124           HA       ILE 124  -4.541  -2.212  -0.435
  735    HB   ILE 124           HB       ILE 124  -3.296  -4.462   1.089
  736   HG12  ILE 124          HG12      ILE 124  -5.818  -2.829   1.468
  737   HG13  ILE 124          HG13      ILE 124  -5.709  -4.398   0.668
  738   HG21  ILE 124          HG21      ILE 124  -2.181  -2.368   1.909
  739   HG22  ILE 124          HG22      ILE 124  -3.773  -1.765   2.367
  740   HG23  ILE 124          HG23      ILE 124  -3.128  -3.219   3.132
  741   HD11  ILE 124          HD11      ILE 124  -5.069  -5.457   2.733
  742   HD12  ILE 124          HD12      ILE 124  -5.017  -3.890   3.552
  743   HD13  ILE 124          HD13      ILE 124  -6.553  -4.536   2.975
  744    H    LEU 125           HN       LEU 125  -1.315  -3.615   0.023
  745    HA   LEU 125           HA       LEU 125   0.018  -1.203   0.400
  746    HB2  LEU 125           HB2      LEU 125   0.736  -3.994  -0.262
  747    HB3  LEU 125           HB3      LEU 125   1.957  -2.767  -0.578
  748    HG   LEU 125           HG       LEU 125   0.588  -3.107   2.077
  749   HD11  LEU 125          HD11      LEU 125   2.636  -4.199   2.824
  750   HD12  LEU 125          HD12      LEU 125   1.860  -5.122   1.537
  751   HD13  LEU 125          HD13      LEU 125   3.278  -4.134   1.181
  752   HD21  LEU 125          HD21      LEU 125   3.055  -1.609   1.210
  753   HD22  LEU 125          HD22      LEU 125   1.498  -0.893   1.627
  754   HD23  LEU 125          HD23      LEU 125   2.445  -1.724   2.863
  755    H    TRP 126           HN       TRP 126  -0.616  -3.054  -2.547
  756    HA   TRP 126           HA       TRP 126   0.903  -1.469  -4.287
  757    HB2  TRP 126           HB2      TRP 126   0.109  -3.587  -5.089
  758    HB3  TRP 126           HB3      TRP 126  -1.573  -3.118  -4.830
  759    HD1  TRP 126           HD1      TRP 126  -2.784  -2.132  -6.847
  760    HE1  TRP 126           HE1      TRP 126  -2.075  -1.107  -9.115
  761    HE3  TRP 126           HE3      TRP 126   2.271  -2.330  -6.257
  762    HZ2  TRP 126           HZ2      TRP 126   0.348  -0.503 -10.458
  763    HZ3  TRP 126           HZ3      TRP 126   3.720  -1.523  -8.068
  764    HH2  TRP 126           HH2      TRP 126   2.773  -0.631 -10.131
  765    H    GLU 127           HN       GLU 127  -2.453  -1.093  -3.157
  766    HA   GLU 127           HA       GLU 127  -3.119   1.116  -4.710
  767    HB2  GLU 127           HB2      GLU 127  -4.088  -0.005  -2.187
  768    HB3  GLU 127           HB3      GLU 127  -4.253   1.746  -2.281
  769    HG2  GLU 127           HG2      GLU 127  -5.304  -0.225  -4.299
  770    HG3  GLU 127           HG3      GLU 127  -6.254   0.580  -3.047
  771    H    HIS 128           HN       HIS 128  -1.769   1.189  -1.372
  772    HA   HIS 128           HA       HIS 128  -1.295   3.961  -1.507
  773    HB2  HIS 128           HB2      HIS 128  -1.185   2.532   0.611
  774    HB3  HIS 128           HB3      HIS 128   0.456   2.114   0.115
  775    HD1  HIS 128           HD1      HIS 128   0.922   3.413   2.527
  776    HD2  HIS 128           HD2      HIS 128  -0.179   5.744  -0.740
  777    HE1  HIS 128           HE1      HIS 128   1.542   5.775   3.141
  778    HE2  HIS 128           HE2      HIS 128   0.960   7.158   1.116
  779    H    LEU 129           HN       LEU 129   0.662   1.244  -2.652
  780    HA   LEU 129           HA       LEU 129   2.978   2.618  -3.302
  781    HB2  LEU 129           HB2      LEU 129   2.581   0.159  -3.536
  782    HB3  LEU 129           HB3      LEU 129   1.577   0.485  -4.934
  783    HG   LEU 129           HG       LEU 129   3.385   0.946  -6.297
  784   HD11  LEU 129          HD11      LEU 129   5.533   1.716  -5.504
  785   HD12  LEU 129          HD12      LEU 129   4.252   2.727  -4.823
  786   HD13  LEU 129          HD13      LEU 129   5.024   1.490  -3.830
  787   HD21  LEU 129          HD21      LEU 129   3.500  -1.386  -5.427
  788   HD22  LEU 129          HD22      LEU 129   5.062  -0.736  -5.925
  789   HD23  LEU 129          HD23      LEU 129   4.650  -0.828  -4.214
  790    H    GLU 130           HN       GLU 130   0.031   2.128  -5.144
  791    HA   GLU 130           HA       GLU 130   0.674   3.775  -7.293
  792    HB2  GLU 130           HB2      GLU 130  -1.078   2.059  -7.365
  793    HB3  GLU 130           HB3      GLU 130  -2.009   2.931  -6.163
  794    HG2  GLU 130           HG2      GLU 130  -3.080   3.355  -8.169
  795    HG3  GLU 130           HG3      GLU 130  -2.136   4.816  -7.873
  796    H    ILE 131           HN       ILE 131  -1.023   4.379  -4.288
  797    HA   ILE 131           HA       ILE 131  -1.774   7.024  -4.755
  798    HB   ILE 131           HB       ILE 131  -1.396   5.381  -2.303
  799   HG12  ILE 131          HG12      ILE 131  -3.757   5.732  -1.992
  800   HG13  ILE 131          HG13      ILE 131  -3.794   6.991  -3.220
  801   HG21  ILE 131          HG21      ILE 131  -0.582   7.454  -1.499
  802   HG22  ILE 131          HG22      ILE 131  -1.825   8.358  -2.373
  803   HG23  ILE 131          HG23      ILE 131  -2.273   7.356  -0.988
  804   HD11  ILE 131          HD11      ILE 131  -4.833   4.986  -4.043
  805   HD12  ILE 131          HD12      ILE 131  -3.336   5.277  -4.935
  806   HD13  ILE 131          HD13      ILE 131  -3.393   4.040  -3.673
  807    H    LEU 132           HN       LEU 132   1.207   5.770  -3.165
  808    HA   LEU 132           HA       LEU 132   2.318   8.216  -2.411
  809    HB2  LEU 132           HB2      LEU 132   3.951   5.964  -3.552
  810    HB3  LEU 132           HB3      LEU 132   4.481   7.198  -2.429
  811    HG   LEU 132           HG       LEU 132   2.277   5.504  -1.473
  812   HD11  LEU 132          HD11      LEU 132   3.788   3.624  -1.044
  813   HD12  LEU 132          HD12      LEU 132   3.591   3.918  -2.773
  814   HD13  LEU 132          HD13      LEU 132   5.063   4.440  -1.952
  815   HD21  LEU 132          HD21      LEU 132   4.949   6.339  -0.304
  816   HD22  LEU 132          HD22      LEU 132   3.400   7.135  -0.017
  817   HD23  LEU 132          HD23      LEU 132   3.670   5.488   0.563
  818    H    GLN 133           HN       GLN 133   2.366   6.529  -5.454
  819    HA   GLN 133           HA       GLN 133   4.141   8.462  -6.642
  820    HB2  GLN 133           HB2      GLN 133   4.172   7.107  -8.562
  821    HB3  GLN 133           HB3      GLN 133   4.137   5.992  -7.208
  822    HG2  GLN 133           HG2      GLN 133   1.528   6.107  -7.697
  823    HG3  GLN 133           HG3      GLN 133   2.122   6.511  -9.307
  824   HE21  GLN 133          HE21      GLN 133   3.654   4.387  -6.946
  825   HE22  GLN 133          HE22      GLN 133   3.472   2.929  -7.859
  826    H    LYS 134           HN       LYS 134   0.657   7.803  -6.483
  827    HA   LYS 134           HA       LYS 134  -0.190   9.545  -8.441
  828    HB2  LYS 134           HB2      LYS 134  -2.052   8.496  -7.815
  829    HB3  LYS 134           HB3      LYS 134  -1.308   7.964  -6.320
  830    HG2  LYS 134           HG2      LYS 134  -2.453  10.722  -6.524
  831    HG3  LYS 134           HG3      LYS 134  -3.506   9.333  -6.262
  832    HD2  LYS 134           HD2      LYS 134  -2.024   8.728  -4.297
  833    HD3  LYS 134           HD3      LYS 134  -1.252  10.297  -4.508
  834    HE2  LYS 134           HE2      LYS 134  -4.191   9.862  -3.984
  835    HE3  LYS 134           HE3      LYS 134  -2.997  10.332  -2.778
  836    HZ1  LYS 134           HZ1      LYS 134  -2.628  12.385  -3.940
  837    HZ2  LYS 134           HZ2      LYS 134  -4.284  12.213  -3.638
  838    HZ3  LYS 134           HZ3      LYS 134  -3.676  11.925  -5.188
  839    H    GLU 135           HN       GLU 135   0.957  10.256  -5.198
  840    HA   GLU 135           HA       GLU 135  -0.309  12.599  -4.620
  841    HB2  GLU 135           HB2      GLU 135   1.636  11.207  -3.434
  842    HB3  GLU 135           HB3      GLU 135   2.610  12.525  -4.074
  843    HG2  GLU 135           HG2      GLU 135   1.857  12.920  -1.770
  844    HG3  GLU 135           HG3      GLU 135   1.271  14.142  -2.898
  845    H    ASP 136           HN       ASP 136   2.425  12.180  -6.800
  846    HA   ASP 136           HA       ASP 136   1.575  14.583  -8.165
  847    HB2  ASP 136           HB2      ASP 136   4.001  15.338  -8.432
  848    HB3  ASP 136           HB3      ASP 136   3.244  15.646  -6.876
  849    H    VAL 137           HN       VAL 137   1.012  12.182  -8.957
  850    HA   VAL 137           HA       VAL 137   2.970  10.942 -10.619
  851    HB   VAL 137           HB       VAL 137   1.188   9.582  -9.729
  852   HG11  VAL 137          HG11      VAL 137  -1.157   9.862 -10.441
  853   HG12  VAL 137          HG12      VAL 137  -0.562  11.224  -9.493
  854   HG13  VAL 137          HG13      VAL 137  -0.709  11.368 -11.246
  855   HG21  VAL 137          HG21      VAL 137   0.350   8.496 -11.756
  856   HG22  VAL 137          HG22      VAL 137   0.861   9.891 -12.708
  857   HG23  VAL 137          HG23      VAL 137   2.063   8.896 -11.888
  858    H    LYS 138           HN       LYS 138   0.527  13.373 -11.045
  859    HA   LYS 138           HA       LYS 138   1.717  14.359 -13.411
  860    HB2  LYS 138           HB2      LYS 138   0.427  12.347 -14.281
  861    HB3  LYS 138           HB3      LYS 138  -1.045  13.177 -13.796
  862    HG2  LYS 138           HG2      LYS 138   0.928  14.449 -15.661
  863    HG3  LYS 138           HG3      LYS 138  -0.313  13.335 -16.239
  864    HD2  LYS 138           HD2      LYS 138  -2.053  14.763 -15.355
  865    HD3  LYS 138           HD3      LYS 138  -0.847  15.841 -14.646
  866    HE2  LYS 138           HE2      LYS 138  -0.069  16.496 -16.808
  867    HE3  LYS 138           HE3      LYS 138  -1.062  15.271 -17.596
  868    HZ1  LYS 138           HZ1      LYS 138  -2.153  17.543 -16.025
  869    HZ2  LYS 138           HZ2      LYS 138  -3.030  16.431 -16.953
  870    HZ3  LYS 138           HZ3      LYS 138  -1.993  17.535 -17.713
  Start of MODEL   22
    1    H1   MET  29           H1       MET  29 -29.383 -19.534   3.504
    2    H2   MET  29           H2       MET  29 -29.100 -21.051   2.812
    3    H3   MET  29           H3       MET  29 -29.208 -19.678   1.822
    4    HA   MET  29           HA       MET  29 -27.215 -18.769   2.827
    5    HB2  MET  29           HB2      MET  29 -27.255 -21.395   4.325
    6    HB3  MET  29           HB3      MET  29 -25.820 -20.387   4.191
    7    HG2  MET  29           HG2      MET  29 -26.943 -18.576   5.332
    8    HG3  MET  29           HG3      MET  29 -28.436 -19.508   5.394
    9    HE1  MET  29           HE1      MET  29 -24.715 -19.277   6.638
   10    HE2  MET  29           HE2      MET  29 -24.607 -20.693   7.683
   11    HE3  MET  29           HE3      MET  29 -24.797 -20.895   5.943
   12    H    GLU  30           HN       GLU  30 -26.387 -18.739   0.846
   13    HA   GLU  30           HA       GLU  30 -26.258 -21.222  -0.669
   14    HB2  GLU  30           HB2      GLU  30 -25.502 -18.503  -1.707
   15    HB3  GLU  30           HB3      GLU  30 -26.111 -19.889  -2.602
   16    HG2  GLU  30           HG2      GLU  30 -27.612 -17.966  -0.863
   17    HG3  GLU  30           HG3      GLU  30 -27.892 -18.384  -2.552
   18    H    CYS  31           HN       CYS  31 -24.374 -22.000  -1.656
   19    HA   CYS  31           HA       CYS  31 -21.871 -20.898  -0.568
   20    HB2  CYS  31           HB2      CYS  31 -22.572 -22.903   0.706
   21    HB3  CYS  31           HB3      CYS  31 -22.550 -23.835  -0.786
   22    HG   CYS  31           HG       CYS  31 -19.855 -22.436   0.794
   23    H    ALA  32           HN       ALA  32 -23.471 -22.663  -3.170
   24    HA   ALA  32           HA       ALA  32 -21.169 -23.061  -4.775
   25    HB1  ALA  32           HB1      ALA  32 -24.072 -22.824  -5.569
   26    HB2  ALA  32           HB2      ALA  32 -22.775 -23.375  -6.629
   27    HB3  ALA  32           HB3      ALA  32 -23.201 -24.308  -5.194
   28    H    ASP  33           HN       ASP  33 -23.838 -20.828  -5.490
   29    HA   ASP  33           HA       ASP  33 -21.836 -18.759  -6.125
   30    HB2  ASP  33           HB2      ASP  33 -24.657 -19.035  -7.203
   31    HB3  ASP  33           HB3      ASP  33 -23.563 -17.705  -7.553
   32    H    VAL  34           HN       VAL  34 -21.710 -17.959  -4.031
   33    HA   VAL  34           HA       VAL  34 -24.106 -17.403  -2.542
   34    HB   VAL  34           HB       VAL  34 -22.199 -18.089  -1.271
   35   HG11  VAL  34          HG11      VAL  34 -20.740 -15.705  -2.405
   36   HG12  VAL  34          HG12      VAL  34 -20.137 -16.754  -1.123
   37   HG13  VAL  34          HG13      VAL  34 -20.400 -17.402  -2.742
   38   HG21  VAL  34          HG21      VAL  34 -22.010 -16.265   0.353
   39   HG22  VAL  34          HG22      VAL  34 -22.719 -15.154  -0.819
   40   HG23  VAL  34          HG23      VAL  34 -23.673 -16.496  -0.184
   41    HA   PRO  35           HA       PRO  35 -24.507 -13.442  -4.618
   42    HB2  PRO  35           HB2      PRO  35 -26.989 -12.899  -3.707
   43    HB3  PRO  35           HB3      PRO  35 -26.700 -14.047  -5.021
   44    HG2  PRO  35           HG2      PRO  35 -27.186 -14.573  -2.116
   45    HG3  PRO  35           HG3      PRO  35 -27.870 -15.403  -3.528
   46    HD2  PRO  35           HD2      PRO  35 -25.790 -16.397  -2.093
   47    HD3  PRO  35           HD3      PRO  35 -25.983 -16.691  -3.832
   48    H    LEU  36           HN       LEU  36 -23.529 -11.728  -3.818
   49    HA   LEU  36           HA       LEU  36 -24.520 -10.267  -1.650
   50    HB2  LEU  36           HB2      LEU  36 -22.361 -10.411  -0.249
   51    HB3  LEU  36           HB3      LEU  36 -23.576 -11.655  -0.069
   52    HG   LEU  36           HG       LEU  36 -22.191 -13.108  -1.601
   53   HD11  LEU  36          HD11      LEU  36 -19.835 -12.552  -1.871
   54   HD12  LEU  36          HD12      LEU  36 -20.870 -11.371  -2.676
   55   HD13  LEU  36          HD13      LEU  36 -20.116 -10.974  -1.131
   56   HD21  LEU  36          HD21      LEU  36 -22.197 -13.397   0.812
   57   HD22  LEU  36          HD22      LEU  36 -20.590 -13.700   0.151
   58   HD23  LEU  36          HD23      LEU  36 -20.930 -12.180   0.975
   59    H    LEU  37           HN       LEU  37 -23.681  -8.247  -1.515
   60    HA   LEU  37           HA       LEU  37 -21.165  -7.665  -2.855
   61    HB2  LEU  37           HB2      LEU  37 -22.070  -5.619  -3.901
   62    HB3  LEU  37           HB3      LEU  37 -22.739  -7.087  -4.577
   63    HG   LEU  37           HG       LEU  37 -24.234  -5.489  -2.506
   64   HD11  LEU  37          HD11      LEU  37 -25.409  -4.395  -4.342
   65   HD12  LEU  37          HD12      LEU  37 -23.694  -3.990  -4.351
   66   HD13  LEU  37          HD13      LEU  37 -24.329  -5.167  -5.500
   67   HD21  LEU  37          HD21      LEU  37 -26.177  -6.571  -3.522
   68   HD22  LEU  37          HD22      LEU  37 -25.122  -7.405  -4.662
   69   HD23  LEU  37          HD23      LEU  37 -25.019  -7.767  -2.938
   70    H    THR  38           HN       THR  38 -20.269  -7.463  -0.899
   71    HA   THR  38           HA       THR  38 -21.290  -5.364   0.891
   72    HB   THR  38           HB       THR  38 -20.219  -8.060   1.758
   73    HG1  THR  38           HG1      THR  38 -22.863  -7.086   1.397
   74   HG21  THR  38          HG21      THR  38 -21.591  -5.886   3.346
   75   HG22  THR  38          HG22      THR  38 -19.869  -6.262   3.398
   76   HG23  THR  38          HG23      THR  38 -21.047  -7.443   3.972
   77    HA   PRO  39           HA       PRO  39 -17.069  -3.890   0.947
   78    HB2  PRO  39           HB2      PRO  39 -17.845  -3.137   3.726
   79    HB3  PRO  39           HB3      PRO  39 -17.122  -2.145   2.452
   80    HG2  PRO  39           HG2      PRO  39 -19.685  -1.862   3.069
   81    HG3  PRO  39           HG3      PRO  39 -19.156  -1.816   1.375
   82    HD2  PRO  39           HD2      PRO  39 -20.469  -4.032   2.892
   83    HD3  PRO  39           HD3      PRO  39 -20.746  -3.495   1.221
   84    H    SER  40           HN       SER  40 -16.094  -5.949   0.968
   85    HA   SER  40           HA       SER  40 -15.398  -6.908   3.648
   86    HB2  SER  40           HB2      SER  40 -17.230  -8.296   2.559
   87    HB3  SER  40           HB3      SER  40 -16.028  -8.781   1.364
   88    HG   SER  40           HG       SER  40 -15.416  -9.041   4.093
   89    H    SER  41           HN       SER  41 -14.606  -7.261   0.150
   90    HA   SER  41           HA       SER  41 -11.996  -8.240   0.930
   91    HB2  SER  41           HB2      SER  41 -13.080  -7.772  -1.851
   92    HB3  SER  41           HB3      SER  41 -11.677  -8.745  -1.412
   93    HG   SER  41           HG       SER  41 -13.096 -10.133  -0.266
   94    H    LYS  42           HN       LYS  42 -12.827  -5.756  -1.589
   95    HA   LYS  42           HA       LYS  42 -10.331  -4.455  -0.824
   96    HB2  LYS  42           HB2      LYS  42 -10.854  -4.766  -3.258
   97    HB3  LYS  42           HB3      LYS  42 -12.141  -3.572  -3.065
   98    HG2  LYS  42           HG2      LYS  42 -10.301  -2.047  -2.094
   99    HG3  LYS  42           HG3      LYS  42  -9.173  -3.190  -2.815
  100    HD2  LYS  42           HD2      LYS  42 -11.363  -2.061  -4.499
  101    HD3  LYS  42           HD3      LYS  42  -9.957  -1.061  -4.135
  102    HE2  LYS  42           HE2      LYS  42  -9.800  -3.823  -5.325
  103    HE3  LYS  42           HE3      LYS  42  -9.825  -2.343  -6.281
  104    HZ1  LYS  42           HZ1      LYS  42  -7.574  -3.052  -5.977
  105    HZ2  LYS  42           HZ2      LYS  42  -7.751  -3.140  -4.300
  106    HZ3  LYS  42           HZ3      LYS  42  -7.792  -1.636  -5.078
  107    H    GLU  43           HN       GLU  43 -13.732  -3.989  -0.382
  108    HA   GLU  43           HA       GLU  43 -13.855  -1.193  -0.419
  109    HB2  GLU  43           HB2      GLU  43 -15.640  -3.221  -0.061
  110    HB3  GLU  43           HB3      GLU  43 -15.573  -2.538   1.556
  111    HG2  GLU  43           HG2      GLU  43 -16.269  -1.075  -0.979
  112    HG3  GLU  43           HG3      GLU  43 -17.380  -1.570   0.294
  113    H    MET  44           HN       MET  44 -12.782  -3.426   2.021
  114    HA   MET  44           HA       MET  44 -12.772  -1.763   4.257
  115    HB2  MET  44           HB2      MET  44 -10.911  -4.015   3.498
  116    HB3  MET  44           HB3      MET  44 -10.904  -3.232   5.072
  117    HG2  MET  44           HG2      MET  44 -13.159  -4.797   3.840
  118    HG3  MET  44           HG3      MET  44 -12.136  -5.295   5.182
  119    HE1  MET  44           HE1      MET  44 -15.770  -2.513   5.335
  120    HE2  MET  44           HE2      MET  44 -14.572  -2.373   4.048
  121    HE3  MET  44           HE3      MET  44 -15.504  -3.861   4.232
  122    H    MET  45           HN       MET  45 -10.212  -2.241   1.796
  123    HA   MET  45           HA       MET  45  -8.511  -0.246   2.893
  124    HB2  MET  45           HB2      MET  45  -7.181  -0.418   0.971
  125    HB3  MET  45           HB3      MET  45  -7.846  -2.035   1.177
  126    HG2  MET  45           HG2      MET  45  -8.881  -1.960  -0.786
  127    HG3  MET  45           HG3      MET  45  -9.525  -0.348  -0.469
  128    HE1  MET  45           HE1      MET  45  -6.484  -2.388  -1.978
  129    HE2  MET  45           HE2      MET  45  -5.300  -1.083  -2.095
  130    HE3  MET  45           HE3      MET  45  -5.899  -1.596  -0.516
  131    H    SER  46           HN       SER  46 -11.099  -0.191   0.523
  132    HA   SER  46           HA       SER  46 -10.656   2.279  -0.608
  133    HB2  SER  46           HB2      SER  46 -12.357   0.632  -1.351
  134    HB3  SER  46           HB3      SER  46 -13.351   1.062   0.040
  135    HG   SER  46           HG       SER  46 -13.944   2.188  -1.890
  136    H    GLN  47           HN       GLN  47 -12.610   1.500   2.276
  137    HA   GLN  47           HA       GLN  47 -12.812   4.252   2.999
  138    HB2  GLN  47           HB2      GLN  47 -13.718   3.353   5.171
  139    HB3  GLN  47           HB3      GLN  47 -14.600   2.882   3.727
  140    HG2  GLN  47           HG2      GLN  47 -13.445   0.701   3.784
  141    HG3  GLN  47           HG3      GLN  47 -12.662   1.188   5.287
  142   HE21  GLN  47          HE21      GLN  47 -15.666   0.258   3.775
  143   HE22  GLN  47          HE22      GLN  47 -16.527  -0.047   5.253
  144    H    ALA  48           HN       ALA  48 -10.903   1.524   4.396
  145    HA   ALA  48           HA       ALA  48  -9.795   3.191   6.418
  146    HB1  ALA  48           HB1      ALA  48  -8.373   1.312   6.996
  147    HB2  ALA  48           HB2      ALA  48 -10.034   0.776   6.726
  148    HB3  ALA  48           HB3      ALA  48  -8.807   0.499   5.489
  149    H    LEU  49           HN       LEU  49  -8.329   1.860   3.392
  150    HA   LEU  49           HA       LEU  49  -5.732   2.820   4.021
  151    HB2  LEU  49           HB2      LEU  49  -7.030   1.385   1.845
  152    HB3  LEU  49           HB3      LEU  49  -5.885   2.583   1.259
  153    HG   LEU  49           HG       LEU  49  -5.352   0.215   3.013
  154   HD11  LEU  49          HD11      LEU  49  -3.796  -0.337   1.230
  155   HD12  LEU  49          HD12      LEU  49  -5.429  -0.121   0.601
  156   HD13  LEU  49          HD13      LEU  49  -4.227   1.150   0.386
  157   HD21  LEU  49          HD21      LEU  49  -3.503   2.528   2.441
  158   HD22  LEU  49          HD22      LEU  49  -4.123   2.042   4.015
  159   HD23  LEU  49          HD23      LEU  49  -3.007   0.990   3.144
  160    H    LYS  50           HN       LYS  50  -8.177   3.846   1.700
  161    HA   LYS  50           HA       LYS  50  -6.632   5.869   0.600
  162    HB2  LYS  50           HB2      LYS  50  -9.645   5.798   0.636
  163    HB3  LYS  50           HB3      LYS  50  -8.603   6.528  -0.582
  164    HG2  LYS  50           HG2      LYS  50  -8.882   3.581   0.010
  165    HG3  LYS  50           HG3      LYS  50  -9.511   4.432  -1.400
  166    HD2  LYS  50           HD2      LYS  50  -6.563   4.322  -0.730
  167    HD3  LYS  50           HD3      LYS  50  -7.352   3.126  -1.758
  168    HE2  LYS  50           HE2      LYS  50  -7.311   6.099  -2.273
  169    HE3  LYS  50           HE3      LYS  50  -6.227   4.924  -3.024
  170    HZ1  LYS  50           HZ1      LYS  50  -8.098   5.440  -4.464
  171    HZ2  LYS  50           HZ2      LYS  50  -9.194   4.958  -3.268
  172    HZ3  LYS  50           HZ3      LYS  50  -8.159   3.816  -3.980
  173    H    ALA  51           HN       ALA  51  -8.777   5.868   3.351
  174    HA   ALA  51           HA       ALA  51  -8.574   8.705   3.805
  175    HB1  ALA  51           HB1      ALA  51  -9.762   8.292   5.860
  176    HB2  ALA  51           HB2      ALA  51 -10.530   7.408   4.540
  177    HB3  ALA  51           HB3      ALA  51  -9.505   6.556   5.695
  178    H    THR  52           HN       THR  52  -6.873   5.817   4.934
  179    HA   THR  52           HA       THR  52  -5.728   7.131   7.211
  180    HB   THR  52           HB       THR  52  -6.279   4.659   7.035
  181    HG1  THR  52           HG1      THR  52  -4.940   4.412   8.660
  182   HG21  THR  52          HG21      THR  52  -4.518   3.195   6.138
  183   HG22  THR  52          HG22      THR  52  -3.651   4.610   5.540
  184   HG23  THR  52          HG23      THR  52  -5.232   4.201   4.875
  185    H    PHE  53           HN       PHE  53  -4.895   7.283   3.980
  186    HA   PHE  53           HA       PHE  53  -2.210   6.663   3.900
  187    HB2  PHE  53           HB2      PHE  53  -3.764   8.672   2.288
  188    HB3  PHE  53           HB3      PHE  53  -2.076   8.294   1.961
  189    HD1  PHE  53           HD2      PHE  53  -2.066   5.390   2.470
  190    HD2  PHE  53           HD1      PHE  53  -4.873   7.850   0.443
  191    HE1  PHE  53           HE2      PHE  53  -2.757   3.468   1.108
  192    HE2  PHE  53           HE1      PHE  53  -5.576   5.929  -0.915
  193    HZ   PHE  53           HZ       PHE  53  -4.516   3.733  -0.585
  194    H    SER  54           HN       SER  54  -3.688   9.558   5.124
  195    HA   SER  54           HA       SER  54  -1.552  11.328   5.081
  196    HB2  SER  54           HB2      SER  54  -3.719  11.019   7.171
  197    HB3  SER  54           HB3      SER  54  -2.697  12.443   6.960
  198    HG   SER  54           HG       SER  54  -3.818  13.019   5.259
  199    H    GLY  55           HN       GLY  55  -2.101   8.537   7.078
  200    HA2  GLY  55           HA1      GLY  55  -0.461   9.062   9.260
  201    HA3  GLY  55           HA2      GLY  55  -0.770   7.468   8.590
  202    H    PHE  56           HN       PHE  56   0.544   7.099   6.425
  203    HA   PHE  56           HA       PHE  56   3.276   7.333   7.329
  204    HB2  PHE  56           HB2      PHE  56   2.436   5.192   6.383
  205    HB3  PHE  56           HB3      PHE  56   2.267   5.988   4.820
  206    HD1  PHE  56           HD1      PHE  56   4.668   4.830   7.351
  207    HD2  PHE  56           HD2      PHE  56   4.157   6.427   3.445
  208    HE1  PHE  56           HE1      PHE  56   7.005   4.277   6.823
  209    HE2  PHE  56           HE2      PHE  56   6.493   5.883   2.911
  210    HZ   PHE  56           HZ       PHE  56   7.963   4.925   4.659
  211    H    THR  57           HN       THR  57   1.364   8.431   4.583
  212    HA   THR  57           HA       THR  57   3.412   9.388   2.961
  213    HB   THR  57           HB       THR  57   0.735  10.723   3.275
  214    HG1  THR  57           HG1      THR  57   0.060   9.229   1.632
  215   HG21  THR  57          HG21      THR  57   1.026  11.273   0.903
  216   HG22  THR  57          HG22      THR  57   2.607  10.492   0.920
  217   HG23  THR  57          HG23      THR  57   2.329  11.942   1.885
  218    H    LYS  58           HN       LYS  58   2.093  10.771   5.882
  219    HA   LYS  58           HA       LYS  58   3.223  13.401   5.401
  220    HB2  LYS  58           HB2      LYS  58   1.201  13.483   6.629
  221    HB3  LYS  58           HB3      LYS  58   1.702  12.179   7.698
  222    HG2  LYS  58           HG2      LYS  58   3.318  13.605   8.763
  223    HG3  LYS  58           HG3      LYS  58   2.980  14.903   7.619
  224    HD2  LYS  58           HD2      LYS  58   0.815  15.243   8.498
  225    HD3  LYS  58           HD3      LYS  58   0.870  13.736   9.415
  226    HE2  LYS  58           HE2      LYS  58   2.771  16.011   9.899
  227    HE3  LYS  58           HE3      LYS  58   1.224  15.872  10.729
  228    HZ1  LYS  58           HZ1      LYS  58   3.175  14.942  11.954
  229    HZ2  LYS  58           HZ2      LYS  58   3.280  13.735  10.770
  230    HZ3  LYS  58           HZ3      LYS  58   1.891  13.855  11.733
  231    H    GLU  59           HN       GLU  59   3.903  10.486   7.250
  232    HA   GLU  59           HA       GLU  59   6.115  11.762   8.632
  233    HB2  GLU  59           HB2      GLU  59   5.620  10.285  10.208
  234    HB3  GLU  59           HB3      GLU  59   4.436   9.512   9.160
  235    HG2  GLU  59           HG2      GLU  59   5.975   7.928   8.420
  236    HG3  GLU  59           HG3      GLU  59   7.358   8.862   9.020
  237    H    GLN  60           HN       GLN  60   5.494   9.869   5.870
  238    HA   GLN  60           HA       GLN  60   7.969   8.849   5.168
  239    HB2  GLN  60           HB2      GLN  60   5.653   8.875   3.939
  240    HB3  GLN  60           HB3      GLN  60   6.241  10.367   3.221
  241    HG2  GLN  60           HG2      GLN  60   8.071   9.222   2.201
  242    HG3  GLN  60           HG3      GLN  60   7.638   7.715   3.016
  243   HE21  GLN  60          HE21      GLN  60   7.826   8.332   0.162
  244   HE22  GLN  60          HE22      GLN  60   6.276   7.953  -0.504
  245    H    GLN  61           HN       GLN  61   6.585  12.038   4.692
  246    HA   GLN  61           HA       GLN  61   8.844  13.329   3.613
  247    HB2  GLN  61           HB2      GLN  61   6.699  14.534   5.360
  248    HB3  GLN  61           HB3      GLN  61   7.710  15.391   4.203
  249    HG2  GLN  61           HG2      GLN  61   5.564  13.369   3.600
  250    HG3  GLN  61           HG3      GLN  61   5.517  15.101   3.284
  251   HE21  GLN  61          HE21      GLN  61   6.767  12.034   2.266
  252   HE22  GLN  61          HE22      GLN  61   7.383  12.558   0.740
  253    H    ARG  62           HN       ARG  62   7.743  12.829   6.910
  254    HA   ARG  62           HA       ARG  62   9.565  14.510   8.247
  255    HB2  ARG  62           HB2      ARG  62   7.378  13.315   9.037
  256    HB3  ARG  62           HB3      ARG  62   8.454  11.993   9.452
  257    HG2  ARG  62           HG2      ARG  62   8.664  14.801  10.515
  258    HG3  ARG  62           HG3      ARG  62   7.934  13.433  11.358
  259    HD2  ARG  62           HD2      ARG  62   9.920  12.624  11.985
  260    HD3  ARG  62           HD3      ARG  62  10.638  12.899  10.398
  261    HE   ARG  62           HE       ARG  62  10.237  15.286  11.967
  262   HH11  ARG  62          HH12      ARG  62  12.413  12.669  11.176
  263   HH12  ARG  62          HH11      ARG  62  13.843  13.521  11.663
  264   HH21  ARG  62          HH22      ARG  62  12.118  16.430  12.612
  265   HH22  ARG  62          HH21      ARG  62  13.673  15.669  12.473
  266    H    LEU  63           HN       LEU  63   9.606  11.022   7.657
  267    HA   LEU  63           HA       LEU  63  12.203  10.622   8.794
  268    HB2  LEU  63           HB2      LEU  63  10.476   8.813   7.131
  269    HB3  LEU  63           HB3      LEU  63  11.940   8.315   7.960
  270    HG   LEU  63           HG       LEU  63   9.482   9.389   9.345
  271   HD11  LEU  63          HD11      LEU  63   9.010   7.114   9.988
  272   HD12  LEU  63          HD12      LEU  63   9.051   7.240   8.230
  273   HD13  LEU  63          HD13      LEU  63  10.418   6.535   9.095
  274   HD21  LEU  63          HD21      LEU  63  11.567   9.743  10.572
  275   HD22  LEU  63          HD22      LEU  63  10.549   8.541  11.366
  276   HD23  LEU  63          HD23      LEU  63  11.948   8.028  10.422
  277    H    GLY  64           HN       GLY  64  11.608  12.328   6.284
  278    HA2  GLY  64           HA1      GLY  64  12.824  12.960   4.441
  279    HA3  GLY  64           HA2      GLY  64  14.164  12.067   5.149
  280    H    ILE  65           HN       ILE  65  11.212  10.430   4.541
  281    HA   ILE  65           HA       ILE  65  12.566   8.681   2.729
  282    HB   ILE  65           HB       ILE  65   9.707   8.587   3.699
  283   HG12  ILE  65          HG12      ILE  65  12.206   7.149   4.603
  284   HG13  ILE  65          HG13      ILE  65  11.208   8.248   5.548
  285   HG21  ILE  65          HG21      ILE  65  11.330   6.531   2.196
  286   HG22  ILE  65          HG22      ILE  65   9.720   6.271   2.866
  287   HG23  ILE  65          HG23      ILE  65   9.956   7.441   1.569
  288   HD11  ILE  65          HD11      ILE  65   9.373   6.623   5.473
  289   HD12  ILE  65          HD12      ILE  65  10.402   5.521   4.552
  290   HD13  ILE  65          HD13      ILE  65  10.828   5.953   6.210
  291    HA   PRO  66           HA       PRO  66  11.465  10.991  -0.966
  292    HB2  PRO  66           HB2      PRO  66  11.582   8.220  -2.059
  293    HB3  PRO  66           HB3      PRO  66  12.353   9.693  -2.655
  294    HG2  PRO  66           HG2      PRO  66  13.733   7.805  -1.346
  295    HG3  PRO  66           HG3      PRO  66  14.106   9.529  -1.162
  296    HD2  PRO  66           HD2      PRO  66  12.789   7.666   0.717
  297    HD3  PRO  66           HD3      PRO  66  13.730   9.131   1.049
  298    H    LYS  67           HN       LYS  67   9.538  11.433  -1.920
  299    HA   LYS  67           HA       LYS  67   7.139  10.345  -1.007
  300    HB2  LYS  67           HB2      LYS  67   7.684  11.915  -3.539
  301    HB3  LYS  67           HB3      LYS  67   6.099  11.667  -2.819
  302    HG2  LYS  67           HG2      LYS  67   6.739  12.910  -0.862
  303    HG3  LYS  67           HG3      LYS  67   8.393  13.054  -1.454
  304    HD2  LYS  67           HD2      LYS  67   6.091  14.111  -3.058
  305    HD3  LYS  67           HD3      LYS  67   6.771  15.054  -1.735
  306    HE2  LYS  67           HE2      LYS  67   7.859  15.795  -3.695
  307    HE3  LYS  67           HE3      LYS  67   9.018  14.774  -2.849
  308    HZ1  LYS  67           HZ1      LYS  67   8.971  14.350  -5.237
  309    HZ2  LYS  67           HZ2      LYS  67   7.333  13.907  -5.142
  310    HZ3  LYS  67           HZ3      LYS  67   8.512  12.977  -4.357
  311    H    ASP  68           HN       ASP  68   8.670   9.903  -4.209
  312    HA   ASP  68           HA       ASP  68   6.781   7.915  -5.062
  313    HB2  ASP  68           HB2      ASP  68   9.426   8.914  -6.082
  314    HB3  ASP  68           HB3      ASP  68   8.758   7.422  -6.731
  315    HA   PRO  69           HA       PRO  69   8.942   4.381  -3.407
  316    HB2  PRO  69           HB2      PRO  69   7.995   2.446  -4.953
  317    HB3  PRO  69           HB3      PRO  69   6.915   3.352  -3.885
  318    HG2  PRO  69           HG2      PRO  69   7.323   3.612  -6.835
  319    HG3  PRO  69           HG3      PRO  69   5.821   3.697  -5.897
  320    HD2  PRO  69           HD2      PRO  69   7.284   5.884  -6.798
  321    HD3  PRO  69           HD3      PRO  69   6.080   5.921  -5.494
  322    H    ARG  70           HN       ARG  70   9.459   5.444  -6.632
  323    HA   ARG  70           HA       ARG  70  10.796   3.215  -7.716
  324    HB2  ARG  70           HB2      ARG  70  11.678   5.696  -8.915
  325    HB3  ARG  70           HB3      ARG  70  10.749   4.384  -9.616
  326    HG2  ARG  70           HG2      ARG  70   9.429   6.390  -7.840
  327    HG3  ARG  70           HG3      ARG  70   9.750   6.761  -9.532
  328    HD2  ARG  70           HD2      ARG  70   8.526   4.639 -10.113
  329    HD3  ARG  70           HD3      ARG  70   8.040   4.545  -8.417
  330    HE   ARG  70           HE       ARG  70   7.242   7.016  -9.036
  331   HH11  ARG  70          HH12      ARG  70   6.814   3.982 -10.746
  332   HH12  ARG  70          HH11      ARG  70   5.365   4.495 -11.544
  333   HH21  ARG  70          HH22      ARG  70   5.349   7.695 -10.109
  334   HH22  ARG  70          HH21      ARG  70   4.525   6.604 -11.184
  335    H    GLN  71           HN       GLN  71  11.910   5.194  -5.328
  336    HA   GLN  71           HA       GLN  71  14.721   4.715  -6.022
  337    HB2  GLN  71           HB2      GLN  71  15.363   6.971  -5.639
  338    HB3  GLN  71           HB3      GLN  71  13.948   7.059  -6.680
  339    HG2  GLN  71           HG2      GLN  71  13.999   7.494  -3.704
  340    HG3  GLN  71           HG3      GLN  71  13.842   8.736  -4.944
  341   HE21  GLN  71          HE21      GLN  71  12.269   5.998  -3.408
  342   HE22  GLN  71          HE22      GLN  71  10.655   6.446  -3.840
  343    H    TRP  72           HN       TRP  72  12.618   3.785  -3.932
  344    HA   TRP  72           HA       TRP  72  13.625   4.716  -1.440
  345    HB2  TRP  72           HB2      TRP  72  11.690   2.636  -2.392
  346    HB3  TRP  72           HB3      TRP  72  12.274   2.545  -0.733
  347    HD1  TRP  72           HD1      TRP  72  12.192   6.067  -1.113
  348    HE1  TRP  72           HE1      TRP  72   9.935   7.071  -0.404
  349    HE3  TRP  72           HE3      TRP  72   9.377   1.824  -1.140
  350    HZ2  TRP  72           HZ2      TRP  72   7.298   6.173   0.085
  351    HZ3  TRP  72           HZ3      TRP  72   7.003   1.978  -0.539
  352    HH2  TRP  72           HH2      TRP  72   5.986   4.101   0.055
  353    H    THR  73           HN       THR  73  14.725   3.409   0.163
  354    HA   THR  73           HA       THR  73  16.393   1.287  -0.869
  355    HB   THR  73           HB       THR  73  17.290   1.243   1.458
  356    HG1  THR  73           HG1      THR  73  16.521   2.981   2.861
  357   HG21  THR  73          HG21      THR  73  17.132   4.037   0.310
  358   HG22  THR  73          HG22      THR  73  18.249   2.782  -0.230
  359   HG23  THR  73          HG23      THR  73  18.368   3.422   1.408
  360    H    GLU  74           HN       GLU  74  16.506  -0.743   0.642
  361    HA   GLU  74           HA       GLU  74  14.019  -2.030   0.633
  362    HB2  GLU  74           HB2      GLU  74  15.164  -3.750   2.073
  363    HB3  GLU  74           HB3      GLU  74  15.988  -3.364   0.569
  364    HG2  GLU  74           HG2      GLU  74  17.804  -3.216   1.857
  365    HG3  GLU  74           HG3      GLU  74  17.179  -1.624   2.274
  366    H    THR  75           HN       THR  75  15.521   0.007   3.002
  367    HA   THR  75           HA       THR  75  13.829  -0.784   5.178
  368    HB   THR  75           HB       THR  75  15.344   1.813   5.029
  369    HG1  THR  75           HG1      THR  75  16.306  -0.817   5.084
  370   HG21  THR  75          HG21      THR  75  14.690  -0.083   7.291
  371   HG22  THR  75          HG22      THR  75  13.899   1.460   6.969
  372   HG23  THR  75          HG23      THR  75  15.598   1.421   7.444
  373    H    HIS  76           HN       HIS  76  13.790   1.718   2.695
  374    HA   HIS  76           HA       HIS  76  11.716   3.268   3.945
  375    HB2  HIS  76           HB2      HIS  76  12.934   3.339   1.181
  376    HB3  HIS  76           HB3      HIS  76  11.611   4.398   1.661
  377    HD1  HIS  76           HD1      HIS  76  14.635   5.252   0.895
  378    HD2  HIS  76           HD2      HIS  76  12.921   5.083   4.684
  379    HE1  HIS  76           HE1      HIS  76  16.003   6.784   2.323
  380    HE2  HIS  76           HE2      HIS  76  15.010   6.612   4.638
  381    H    VAL  77           HN       VAL  77  11.911   0.847   1.391
  382    HA   VAL  77           HA       VAL  77   9.212   0.886   0.648
  383    HB   VAL  77           HB       VAL  77  11.337  -1.248   0.435
  384   HG11  VAL  77          HG11      VAL  77   9.822  -2.442  -1.078
  385   HG12  VAL  77          HG12      VAL  77   9.181  -2.353   0.563
  386   HG13  VAL  77          HG13      VAL  77   8.543  -1.291  -0.693
  387   HG21  VAL  77          HG21      VAL  77  10.083   0.589  -1.620
  388   HG22  VAL  77          HG22      VAL  77  11.715   0.712  -0.966
  389   HG23  VAL  77          HG23      VAL  77  11.270  -0.670  -1.970
  390    H    ARG  78           HN       ARG  78  11.029  -1.292   2.834
  391    HA   ARG  78           HA       ARG  78   8.822  -2.785   3.685
  392    HB2  ARG  78           HB2      ARG  78  11.501  -2.241   4.912
  393    HB3  ARG  78           HB3      ARG  78  10.294  -3.188   5.773
  394    HG2  ARG  78           HG2      ARG  78  10.200  -4.721   3.812
  395    HG3  ARG  78           HG3      ARG  78  11.550  -3.820   3.111
  396    HD2  ARG  78           HD2      ARG  78  11.572  -5.231   5.781
  397    HD3  ARG  78           HD3      ARG  78  12.295  -5.844   4.294
  398    HE   ARG  78           HE       ARG  78  13.712  -3.740   4.408
  399   HH11  ARG  78          HH12      ARG  78  12.375  -5.201   7.292
  400   HH12  ARG  78          HH11      ARG  78  13.718  -4.757   8.303
  401   HH21  ARG  78          HH22      ARG  78  15.486  -3.143   5.719
  402   HH22  ARG  78          HH21      ARG  78  15.490  -3.589   7.406
  403    H    ASP  79           HN       ASP  79  10.063   0.283   4.828
  404    HA   ASP  79           HA       ASP  79   8.673   0.579   7.224
  405    HB2  ASP  79           HB2      ASP  79  10.290   2.189   5.720
  406    HB3  ASP  79           HB3      ASP  79   8.723   2.960   5.464
  407    H    TRP  80           HN       TRP  80   7.758   1.580   3.959
  408    HA   TRP  80           HA       TRP  80   5.135   2.395   4.677
  409    HB2  TRP  80           HB2      TRP  80   5.978   3.519   2.856
  410    HB3  TRP  80           HB3      TRP  80   6.832   2.106   2.250
  411    HD1  TRP  80           HD1      TRP  80   3.482   3.896   2.020
  412    HE1  TRP  80           HE1      TRP  80   2.209   2.890   0.021
  413    HE3  TRP  80           HE3      TRP  80   6.534  -0.055   1.011
  414    HZ2  TRP  80           HZ2      TRP  80   2.461   0.719  -1.739
  415    HZ3  TRP  80           HZ3      TRP  80   5.950  -1.561  -0.836
  416    HH2  TRP  80           HH2      TRP  80   3.950  -1.186  -2.178
  417    H    VAL  81           HN       VAL  81   6.673  -0.506   3.660
  418    HA   VAL  81           HA       VAL  81   4.505  -1.960   2.621
  419    HB   VAL  81           HB       VAL  81   7.223  -2.603   3.665
  420   HG11  VAL  81          HG11      VAL  81   5.157  -4.742   3.202
  421   HG12  VAL  81          HG12      VAL  81   6.890  -5.006   3.409
  422   HG13  VAL  81          HG13      VAL  81   5.932  -4.347   4.737
  423   HG21  VAL  81          HG21      VAL  81   5.736  -3.296   1.141
  424   HG22  VAL  81          HG22      VAL  81   6.936  -2.017   1.339
  425   HG23  VAL  81          HG23      VAL  81   7.417  -3.709   1.477
  426    H    MET  82           HN       MET  82   6.029  -2.177   5.830
  427    HA   MET  82           HA       MET  82   3.824  -3.628   6.888
  428    HB2  MET  82           HB2      MET  82   4.833  -3.245   9.109
  429    HB3  MET  82           HB3      MET  82   5.929  -3.956   7.935
  430    HG2  MET  82           HG2      MET  82   7.222  -2.069   7.776
  431    HG3  MET  82           HG3      MET  82   5.924  -1.008   8.322
  432    HE1  MET  82           HE1      MET  82   6.340  -4.285  10.246
  433    HE2  MET  82           HE2      MET  82   7.989  -4.148   9.631
  434    HE3  MET  82           HE3      MET  82   7.674  -3.978  11.358
  435    H    TRP  83           HN       TRP  83   4.184  -0.241   6.318
  436    HA   TRP  83           HA       TRP  83   2.601   0.559   8.558
  437    HB2  TRP  83           HB2      TRP  83   3.950   2.246   7.410
  438    HB3  TRP  83           HB3      TRP  83   3.031   2.009   5.923
  439    HD1  TRP  83           HD1      TRP  83   2.697   3.520   9.426
  440    HE1  TRP  83           HE1      TRP  83   0.693   5.127   9.418
  441    HE3  TRP  83           HE3      TRP  83   0.872   2.515   4.767
  442    HZ2  TRP  83           HZ2      TRP  83  -1.388   5.876   7.662
  443    HZ3  TRP  83           HZ3      TRP  83  -1.128   3.718   3.997
  444    HH2  TRP  83           HH2      TRP  83  -2.229   5.362   5.414
  445    H    ALA  84           HN       ALA  84   1.643   0.225   5.102
  446    HA   ALA  84           HA       ALA  84  -1.096   0.639   5.658
  447    HB1  ALA  84           HB1      ALA  84  -1.547  -0.377   3.475
  448    HB2  ALA  84           HB2      ALA  84  -0.193   0.750   3.374
  449    HB3  ALA  84           HB3      ALA  84   0.107  -0.989   3.404
  450    H    VAL  85           HN       VAL  85   0.970  -2.144   5.661
  451    HA   VAL  85           HA       VAL  85  -0.878  -4.163   6.190
  452    HB   VAL  85           HB       VAL  85   2.059  -3.795   6.596
  453   HG11  VAL  85          HG11      VAL  85   0.615  -6.264   7.556
  454   HG12  VAL  85          HG12      VAL  85   2.349  -5.975   7.573
  455   HG13  VAL  85          HG13      VAL  85   1.288  -5.031   8.618
  456   HG21  VAL  85          HG21      VAL  85   1.201  -4.394   4.416
  457   HG22  VAL  85          HG22      VAL  85   2.160  -5.715   5.087
  458   HG23  VAL  85          HG23      VAL  85   0.399  -5.809   5.100
  459    H    ASN  86           HN       ASN  86   1.103  -2.310   8.589
  460    HA   ASN  86           HA       ASN  86  -0.158  -3.713  10.700
  461    HB2  ASN  86           HB2      ASN  86   1.239  -2.678  12.208
  462    HB3  ASN  86           HB3      ASN  86   2.192  -2.741  10.736
  463   HD21  ASN  86          HD21      ASN  86   0.847  -0.552   9.469
  464   HD22  ASN  86          HD22      ASN  86   1.348   0.891  10.299
  465    H    GLU  87           HN       GLU  87  -1.053  -0.908   8.986
  466    HA   GLU  87           HA       GLU  87  -2.697   0.231  11.070
  467    HB2  GLU  87           HB2      GLU  87  -1.794   1.651   9.270
  468    HB3  GLU  87           HB3      GLU  87  -2.653   0.689   8.077
  469    HG2  GLU  87           HG2      GLU  87  -3.744   2.836   8.577
  470    HG3  GLU  87           HG3      GLU  87  -4.769   1.441   8.908
  471    H    PHE  88           HN       PHE  88  -2.957  -1.921   8.357
  472    HA   PHE  88           HA       PHE  88  -5.770  -2.415   8.733
  473    HB2  PHE  88           HB2      PHE  88  -3.636  -3.222   6.858
  474    HB3  PHE  88           HB3      PHE  88  -4.920  -4.407   7.120
  475    HD1  PHE  88           HD1      PHE  88  -7.250  -3.860   6.596
  476    HD2  PHE  88           HD2      PHE  88  -4.060  -1.211   5.650
  477    HE1  PHE  88           HE1      PHE  88  -8.723  -2.644   5.049
  478    HE2  PHE  88           HE2      PHE  88  -5.529   0.007   4.104
  479    HZ   PHE  88           HZ       PHE  88  -7.862  -0.707   3.807
  480    H    SER  89           HN       SER  89  -3.248  -3.201  10.551
  481    HA   SER  89           HA       SER  89  -2.566  -4.884  11.900
  482    HB2  SER  89           HB2      SER  89  -5.528  -5.519  11.884
  483    HB3  SER  89           HB3      SER  89  -4.362  -6.064  13.094
  484    HG   SER  89           HG       SER  89  -5.720  -3.782  13.044
  485    H    LEU  90           HN       LEU  90  -2.222  -5.481   9.174
  486    HA   LEU  90           HA       LEU  90  -3.283  -8.082   8.568
  487    HB2  LEU  90           HB2      LEU  90  -0.933  -6.657   7.297
  488    HB3  LEU  90           HB3      LEU  90  -1.909  -7.933   6.583
  489    HG   LEU  90           HG       LEU  90  -2.845  -5.125   7.229
  490   HD11  LEU  90          HD11      LEU  90  -1.344  -5.195   5.327
  491   HD12  LEU  90          HD12      LEU  90  -2.295  -6.487   4.593
  492   HD13  LEU  90          HD13      LEU  90  -2.998  -4.882   4.799
  493   HD21  LEU  90          HD21      LEU  90  -4.636  -6.777   7.495
  494   HD22  LEU  90          HD22      LEU  90  -4.905  -5.795   6.055
  495   HD23  LEU  90          HD23      LEU  90  -4.285  -7.440   5.897
  496    H    LYS  91           HN       LYS  91  -0.161  -6.732   9.405
  497    HA   LYS  91           HA       LYS  91   1.773  -7.653  10.206
  498    HB2  LYS  91           HB2      LYS  91  -0.288  -8.551  12.212
  499    HB3  LYS  91           HB3      LYS  91   1.435  -8.365  12.522
  500    HG2  LYS  91           HG2      LYS  91   1.296  -5.991  12.078
  501    HG3  LYS  91           HG3      LYS  91  -0.409  -6.149  11.654
  502    HD2  LYS  91           HD2      LYS  91  -0.821  -6.985  13.969
  503    HD3  LYS  91           HD3      LYS  91   0.855  -6.587  14.353
  504    HE2  LYS  91           HE2      LYS  91   0.438  -4.253  13.806
  505    HE3  LYS  91           HE3      LYS  91  -1.224  -4.638  13.361
  506    HZ1  LYS  91           HZ1      LYS  91  -1.431  -3.869  15.502
  507    HZ2  LYS  91           HZ2      LYS  91   0.016  -4.575  16.031
  508    HZ3  LYS  91           HZ3      LYS  91  -1.349  -5.545  15.753
  509    H    GLY  92           HN       GLY  92   0.886  -9.456   8.206
  510    HA2  GLY  92           HA1      GLY  92   2.277 -11.791   9.259
  511    HA3  GLY  92           HA2      GLY  92   0.727 -12.024   8.447
  512    H    VAL  93           HN       VAL  93   3.206  -9.675   7.755
  513    HA   VAL  93           HA       VAL  93   3.198 -10.491   4.966
  514    HB   VAL  93           HB       VAL  93   3.476  -7.965   6.356
  515   HG11  VAL  93          HG11      VAL  93   5.207  -6.968   4.944
  516   HG12  VAL  93          HG12      VAL  93   5.870  -8.225   5.989
  517   HG13  VAL  93          HG13      VAL  93   5.581  -8.558   4.281
  518   HG21  VAL  93          HG21      VAL  93   1.883  -8.502   4.562
  519   HG22  VAL  93          HG22      VAL  93   2.870  -7.087   4.186
  520   HG23  VAL  93          HG23      VAL  93   3.239  -8.639   3.433
  521    H    ASP  94           HN       ASP  94   4.931 -11.344   3.965
  522    HA   ASP  94           HA       ASP  94   7.113 -12.222   5.656
  523    HB2  ASP  94           HB2      ASP  94   6.061 -13.646   3.824
  524    HB3  ASP  94           HB3      ASP  94   6.830 -12.569   2.661
  525    H    PHE  95           HN       PHE  95   8.342 -10.510   6.201
  526    HA   PHE  95           HA       PHE  95   8.652  -8.229   4.589
  527    HB2  PHE  95           HB2      PHE  95  10.392  -9.136   6.897
  528    HB3  PHE  95           HB3      PHE  95  10.341  -7.512   6.222
  529    HD1  PHE  95           HD1      PHE  95   8.068  -6.306   6.273
  530    HD2  PHE  95           HD2      PHE  95   8.993  -9.712   8.652
  531    HE1  PHE  95           HE1      PHE  95   6.258  -5.708   7.830
  532    HE2  PHE  95           HE2      PHE  95   7.189  -9.117  10.210
  533    HZ   PHE  95           HZ       PHE  95   5.783  -7.152   9.778
  534    H    GLN  96           HN       GLN  96  10.160 -11.249   4.463
  535    HA   GLN  96           HA       GLN  96  12.550 -10.303   3.130
  536    HB2  GLN  96           HB2      GLN  96  11.502 -13.014   3.865
  537    HB3  GLN  96           HB3      GLN  96  12.844 -12.844   2.740
  538    HG2  GLN  96           HG2      GLN  96  12.777 -11.761   5.546
  539    HG3  GLN  96           HG3      GLN  96  13.591 -13.240   5.035
  540   HE21  GLN  96          HE21      GLN  96  13.636  -9.772   4.956
  541   HE22  GLN  96          HE22      GLN  96  15.246  -9.600   4.339
  542    H    LYS  97           HN       LYS  97   9.421 -11.667   2.278
  543    HA   LYS  97           HA       LYS  97  10.042 -11.920  -0.509
  544    HB2  LYS  97           HB2      LYS  97   7.962 -12.792   1.023
  545    HB3  LYS  97           HB3      LYS  97   7.238 -11.363   0.301
  546    HG2  LYS  97           HG2      LYS  97   8.417 -13.714  -1.167
  547    HG3  LYS  97           HG3      LYS  97   6.706 -13.321  -1.007
  548    HD2  LYS  97           HD2      LYS  97   7.053 -11.258  -2.268
  549    HD3  LYS  97           HD3      LYS  97   8.775 -11.621  -2.401
  550    HE2  LYS  97           HE2      LYS  97   8.031 -13.810  -3.511
  551    HE3  LYS  97           HE3      LYS  97   6.456 -13.035  -3.675
  552    HZ1  LYS  97           HZ1      LYS  97   7.612 -12.617  -5.668
  553    HZ2  LYS  97           HZ2      LYS  97   9.035 -12.187  -4.855
  554    HZ3  LYS  97           HZ3      LYS  97   7.693 -11.161  -4.799
  555    H    PHE  98           HN       PHE  98   9.083  -9.494   1.709
  556    HA   PHE  98           HA       PHE  98   8.415  -7.534  -0.309
  557    HB2  PHE  98           HB2      PHE  98   8.318  -7.661   2.661
  558    HB3  PHE  98           HB3      PHE  98   8.396  -6.076   1.891
  559    HD1  PHE  98           HD1      PHE  98   6.556  -5.270   0.512
  560    HD2  PHE  98           HD2      PHE  98   6.437  -9.080   2.398
  561    HE1  PHE  98           HE1      PHE  98   4.135  -5.388   0.131
  562    HE2  PHE  98           HE2      PHE  98   4.025  -9.215   1.994
  563    HZ   PHE  98           HZ       PHE  98   2.890  -7.282   0.731
  564    H    CYS  99           HN       CYS  99  11.137  -8.768   0.008
  565    HA   CYS  99           HA       CYS  99  12.877  -6.669   0.872
  566    HB2  CYS  99           HB2      CYS  99  13.431  -9.153   0.799
  567    HB3  CYS  99           HB3      CYS  99  13.538  -8.975  -0.953
  568    HG   CYS  99           HG       CYS  99  16.139  -8.929  -0.361
  569    H    MET 100           HN       MET 100  11.831  -4.968  -0.439
  570    HA   MET 100           HA       MET 100  12.998  -4.972  -3.133
  571    HB2  MET 100           HB2      MET 100  10.443  -3.725  -2.158
  572    HB3  MET 100           HB3      MET 100  11.247  -3.145  -3.609
  573    HG2  MET 100           HG2      MET 100   9.698  -4.591  -4.462
  574    HG3  MET 100           HG3      MET 100  11.139  -5.616  -4.348
  575    HE1  MET 100           HE1      MET 100   7.706  -4.681  -2.692
  576    HE2  MET 100           HE2      MET 100   7.695  -5.739  -1.279
  577    HE3  MET 100           HE3      MET 100   8.854  -4.411  -1.380
  578    H    SER 101           HN       SER 101  14.522  -3.552  -3.470
  579    HA   SER 101           HA       SER 101  14.668  -1.096  -1.952
  580    HB2  SER 101           HB2      SER 101  15.967  -1.922  -4.578
  581    HB3  SER 101           HB3      SER 101  16.295  -0.410  -3.731
  582    HG   SER 101           HG       SER 101  17.157  -2.986  -3.182
  583    H    GLY 102           HN       GLY 102  14.017   0.983  -3.000
  584    HA2  GLY 102           HA1      GLY 102  11.384   0.859  -3.734
  585    HA3  GLY 102           HA2      GLY 102  12.421   2.233  -4.041
  586    H    ALA 103           HN       ALA 103  14.155   1.086  -5.974
  587    HA   ALA 103           HA       ALA 103  12.684   1.343  -8.333
  588    HB1  ALA 103           HB1      ALA 103  15.297  -0.112  -7.924
  589    HB2  ALA 103           HB2      ALA 103  14.655   0.458  -9.465
  590    HB3  ALA 103           HB3      ALA 103  15.117   1.617  -8.220
  591    H    ALA 104           HN       ALA 104  13.595  -1.474  -6.451
  592    HA   ALA 104           HA       ALA 104  12.491  -3.412  -8.220
  593    HB1  ALA 104           HB1      ALA 104  12.802  -4.971  -6.371
  594    HB2  ALA 104           HB2      ALA 104  14.239  -3.973  -6.594
  595    HB3  ALA 104           HB3      ALA 104  13.120  -3.621  -5.275
  596    H    LEU 105           HN       LEU 105  11.327  -1.863  -5.166
  597    HA   LEU 105           HA       LEU 105   8.907  -2.914  -4.853
  598    HB2  LEU 105           HB2      LEU 105   9.836  -1.079  -3.494
  599    HB3  LEU 105           HB3      LEU 105   9.527   0.055  -4.806
  600    HG   LEU 105           HG       LEU 105   7.113  -0.513  -4.643
  601   HD11  LEU 105          HD11      LEU 105   6.376  -1.570  -2.502
  602   HD12  LEU 105          HD12      LEU 105   7.175  -2.665  -3.637
  603   HD13  LEU 105          HD13      LEU 105   8.055  -2.045  -2.238
  604   HD21  LEU 105          HD21      LEU 105   8.318   0.534  -2.100
  605   HD22  LEU 105          HD22      LEU 105   8.050   1.472  -3.573
  606   HD23  LEU 105          HD23      LEU 105   6.676   0.808  -2.689
  607    H    CYS 106           HN       CYS 106   9.551  -0.196  -6.921
  608    HA   CYS 106           HA       CYS 106   7.070  -0.103  -8.176
  609    HB2  CYS 106           HB2      CYS 106   8.619   1.758  -8.130
  610    HB3  CYS 106           HB3      CYS 106   9.778   0.849  -9.094
  611    HG   CYS 106           HG       CYS 106   8.393   0.972 -11.448
  612    H    ALA 107           HN       ALA 107  10.145  -1.565  -9.285
  613    HA   ALA 107           HA       ALA 107   9.429  -2.367 -11.782
  614    HB1  ALA 107           HB1      ALA 107  11.686  -2.493 -10.854
  615    HB2  ALA 107           HB2      ALA 107  11.199  -3.882  -9.881
  616    HB3  ALA 107           HB3      ALA 107  11.209  -3.999 -11.640
  617    H    LEU 108           HN       LEU 108   8.588  -4.083  -8.767
  618    HA   LEU 108           HA       LEU 108   7.927  -6.502 -10.024
  619    HB2  LEU 108           HB2      LEU 108   6.477  -6.899  -7.962
  620    HB3  LEU 108           HB3      LEU 108   8.194  -6.692  -7.724
  621    HG   LEU 108           HG       LEU 108   7.703  -4.294  -7.071
  622   HD11  LEU 108          HD11      LEU 108   5.462  -4.137  -8.081
  623   HD12  LEU 108          HD12      LEU 108   4.868  -5.314  -6.910
  624   HD13  LEU 108          HD13      LEU 108   5.454  -3.740  -6.364
  625   HD21  LEU 108          HD21      LEU 108   7.013  -4.925  -4.815
  626   HD22  LEU 108          HD22      LEU 108   6.541  -6.517  -5.407
  627   HD23  LEU 108          HD23      LEU 108   8.235  -6.025  -5.454
  628    H    GLY 109           HN       GLY 109   6.076  -3.563  -9.565
  629    HA2  GLY 109           HA1      GLY 109   4.119  -2.872 -10.554
  630    HA3  GLY 109           HA2      GLY 109   4.237  -4.264 -11.621
  631    H    LYS 110           HN       LYS 110   1.781  -3.500 -10.766
  632    HA   LYS 110           HA       LYS 110   0.737  -4.626  -8.485
  633    HB2  LYS 110           HB2      LYS 110  -0.977  -3.602  -9.537
  634    HB3  LYS 110           HB3      LYS 110  -0.281  -3.869 -11.124
  635    HG2  LYS 110           HG2      LYS 110  -2.479  -4.879 -10.903
  636    HG3  LYS 110           HG3      LYS 110  -1.248  -6.103 -11.190
  637    HD2  LYS 110           HD2      LYS 110  -1.265  -6.216  -8.569
  638    HD3  LYS 110           HD3      LYS 110  -2.874  -5.526  -8.773
  639    HE2  LYS 110           HE2      LYS 110  -1.903  -8.040 -10.129
  640    HE3  LYS 110           HE3      LYS 110  -2.851  -8.011  -8.643
  641    HZ1  LYS 110           HZ1      LYS 110  -3.689  -7.158 -11.361
  642    HZ2  LYS 110           HZ2      LYS 110  -4.542  -6.696  -9.970
  643    HZ3  LYS 110           HZ3      LYS 110  -4.394  -8.340 -10.364
  644    H    GLU 111           HN       GLU 111   1.240  -6.242 -11.597
  645    HA   GLU 111           HA       GLU 111   0.351  -8.726 -11.222
  646    HB2  GLU 111           HB2      GLU 111   1.540  -7.853 -13.216
  647    HB3  GLU 111           HB3      GLU 111   3.063  -8.051 -12.365
  648    HG2  GLU 111           HG2      GLU 111   2.553 -10.487 -12.195
  649    HG3  GLU 111           HG3      GLU 111   1.171 -10.203 -13.255
  650    H    CYS 112           HN       CYS 112   3.630  -7.750 -10.200
  651    HA   CYS 112           HA       CYS 112   4.041 -10.336  -9.013
  652    HB2  CYS 112           HB2      CYS 112   5.807  -7.890  -9.060
  653    HB3  CYS 112           HB3      CYS 112   6.260  -9.424  -8.320
  654    HG   CYS 112           HG       CYS 112   5.490 -10.531 -11.094
  655    H    PHE 113           HN       PHE 113   3.587  -7.013  -7.824
  656    HA   PHE 113           HA       PHE 113   4.156  -7.414  -5.181
  657    HB2  PHE 113           HB2      PHE 113   3.410  -5.252  -6.455
  658    HB3  PHE 113           HB3      PHE 113   1.807  -5.693  -5.882
  659    HD1  PHE 113           HD2      PHE 113   1.565  -6.163  -3.382
  660    HD2  PHE 113           HD1      PHE 113   4.861  -4.021  -5.043
  661    HE1  PHE 113           HE2      PHE 113   2.060  -5.220  -1.179
  662    HE2  PHE 113           HE1      PHE 113   5.353  -3.092  -2.829
  663    HZ   PHE 113           HZ       PHE 113   3.963  -3.695  -0.897
  664    H    LEU 114           HN       LEU 114   0.975  -8.015  -6.713
  665    HA   LEU 114           HA       LEU 114  -0.118  -8.675  -4.137
  666    HB2  LEU 114           HB2      LEU 114  -1.503  -9.487  -6.640
  667    HB3  LEU 114           HB3      LEU 114  -2.174  -8.987  -5.099
  668    HG   LEU 114           HG       LEU 114  -1.248  -7.356  -7.390
  669   HD11  LEU 114          HD11      LEU 114  -3.255  -6.056  -6.697
  670   HD12  LEU 114          HD12      LEU 114  -3.589  -7.737  -7.113
  671   HD13  LEU 114          HD13      LEU 114  -3.516  -7.247  -5.424
  672   HD21  LEU 114          HD21      LEU 114  -1.400  -6.162  -4.643
  673   HD22  LEU 114          HD22      LEU 114   0.118  -6.592  -5.435
  674   HD23  LEU 114          HD23      LEU 114  -0.941  -5.375  -6.159
  675    H    GLU 115           HN       GLU 115   1.463 -10.397  -6.650
  676    HA   GLU 115           HA       GLU 115   0.810 -12.983  -5.608
  677    HB2  GLU 115           HB2      GLU 115   3.064 -12.050  -7.390
  678    HB3  GLU 115           HB3      GLU 115   2.765 -13.731  -6.982
  679    HG2  GLU 115           HG2      GLU 115   0.590 -13.624  -8.078
  680    HG3  GLU 115           HG3      GLU 115   0.874 -11.928  -8.474
  681    H    LEU 116           HN       LEU 116   2.697 -10.400  -4.715
  682    HA   LEU 116           HA       LEU 116   4.884 -11.862  -3.491
  683    HB2  LEU 116           HB2      LEU 116   5.749 -10.017  -4.474
  684    HB3  LEU 116           HB3      LEU 116   4.262  -9.095  -4.311
  685    HG   LEU 116           HG       LEU 116   5.699  -9.551  -1.787
  686   HD11  LEU 116          HD11      LEU 116   6.882  -7.838  -3.962
  687   HD12  LEU 116          HD12      LEU 116   7.397  -7.850  -2.274
  688   HD13  LEU 116          HD13      LEU 116   7.610  -9.288  -3.273
  689   HD21  LEU 116          HD21      LEU 116   4.584  -7.129  -3.168
  690   HD22  LEU 116          HD22      LEU 116   3.749  -8.118  -1.971
  691   HD23  LEU 116          HD23      LEU 116   5.172  -7.187  -1.506
  692    H    ALA 117           HN       ALA 117   1.900 -10.369  -2.620
  693    HA   ALA 117           HA       ALA 117   2.379 -11.169   0.176
  694    HB1  ALA 117           HB1      ALA 117   2.528  -8.725   0.061
  695    HB2  ALA 117           HB2      ALA 117   0.946  -8.659  -0.714
  696    HB3  ALA 117           HB3      ALA 117   1.090  -9.227   0.952
  697    HA   PRO 118           HA       PRO 118  -1.865 -12.922   0.116
  698    HB2  PRO 118           HB2      PRO 118  -2.656 -10.653   1.893
  699    HB3  PRO 118           HB3      PRO 118  -3.031 -12.374   2.039
  700    HG2  PRO 118           HG2      PRO 118  -1.166 -11.275   3.582
  701    HG3  PRO 118           HG3      PRO 118  -0.937 -12.895   2.898
  702    HD2  PRO 118           HD2      PRO 118   0.320 -10.314   2.106
  703    HD3  PRO 118           HD3      PRO 118   0.983 -11.960   2.052
  704    H    ASP 119           HN       ASP 119  -3.543 -12.572  -1.203
  705    HA   ASP 119           HA       ASP 119  -3.329 -10.803  -3.250
  706    HB2  ASP 119           HB2      ASP 119  -5.557 -11.454  -3.956
  707    HB3  ASP 119           HB3      ASP 119  -4.654 -12.842  -3.359
  708    H    PHE 120           HN       PHE 120  -5.005 -10.045  -0.203
  709    HA   PHE 120           HA       PHE 120  -6.111  -7.659  -1.459
  710    HB2  PHE 120           HB2      PHE 120  -7.650  -8.811   0.050
  711    HB3  PHE 120           HB3      PHE 120  -6.474  -8.686   1.352
  712    HD1  PHE 120           HD1      PHE 120  -7.324  -6.004  -1.069
  713    HD2  PHE 120           HD2      PHE 120  -7.717  -7.472   2.912
  714    HE1  PHE 120           HE1      PHE 120  -8.292  -3.855  -0.374
  715    HE2  PHE 120           HE2      PHE 120  -8.687  -5.322   3.608
  716    HZ   PHE 120           HZ       PHE 120  -8.973  -3.510   1.967
  717    H    VAL 121           HN       VAL 121  -3.651  -8.768   0.633
  718    HA   VAL 121           HA       VAL 121  -3.018  -6.254   1.806
  719    HB   VAL 121           HB       VAL 121  -1.479  -8.842   1.684
  720   HG11  VAL 121          HG11      VAL 121  -0.235  -7.961   3.607
  721   HG12  VAL 121          HG12      VAL 121  -0.001  -6.967   2.169
  722   HG13  VAL 121          HG13      VAL 121  -1.088  -6.424   3.446
  723   HG21  VAL 121          HG21      VAL 121  -3.757  -8.872   2.682
  724   HG22  VAL 121          HG22      VAL 121  -2.461  -9.294   3.818
  725   HG23  VAL 121          HG23      VAL 121  -3.194  -7.688   3.867
  726    H    GLY 122           HN       GLY 122  -1.606  -8.255  -0.778
  727    HA2  GLY 122           HA1      GLY 122   0.474  -6.521  -1.488
  728    HA3  GLY 122           HA2      GLY 122  -0.350  -7.633  -2.580
  729    H    ASP 123           HN       ASP 123  -2.946  -6.575  -2.376
  730    HA   ASP 123           HA       ASP 123  -2.785  -4.467  -4.271
  731    HB2  ASP 123           HB2      ASP 123  -4.512  -6.107  -4.496
  732    HB3  ASP 123           HB3      ASP 123  -5.058  -5.856  -2.843
  733    H    ILE 124           HN       ILE 124  -3.850  -4.740  -0.891
  734    HA   ILE 124           HA       ILE 124  -4.393  -2.138  -0.252
  735    HB   ILE 124           HB       ILE 124  -3.126  -4.377   1.275
  736   HG12  ILE 124          HG12      ILE 124  -5.604  -2.721   1.778
  737   HG13  ILE 124          HG13      ILE 124  -5.574  -4.246   0.894
  738   HG21  ILE 124          HG21      ILE 124  -3.467  -1.575   2.370
  739   HG22  ILE 124          HG22      ILE 124  -3.062  -3.008   3.319
  740   HG23  ILE 124          HG23      ILE 124  -1.936  -2.409   2.100
  741   HD11  ILE 124          HD11      ILE 124  -4.843  -5.424   2.861
  742   HD12  ILE 124          HD12      ILE 124  -4.722  -3.908   3.759
  743   HD13  ILE 124          HD13      ILE 124  -6.298  -4.499   3.229
  744    H    LEU 125           HN       LEU 125  -1.200  -3.612   0.177
  745    HA   LEU 125           HA       LEU 125   0.159  -1.214   0.499
  746    HB2  LEU 125           HB2      LEU 125   0.865  -4.017  -0.107
  747    HB3  LEU 125           HB3      LEU 125   2.089  -2.800  -0.449
  748    HG   LEU 125           HG       LEU 125   0.705  -3.024   2.207
  749   HD11  LEU 125          HD11      LEU 125   2.721  -4.163   3.001
  750   HD12  LEU 125          HD12      LEU 125   1.898  -5.109   1.760
  751   HD13  LEU 125          HD13      LEU 125   3.351  -4.196   1.353
  752   HD21  LEU 125          HD21      LEU 125   3.219  -1.648   1.276
  753   HD22  LEU 125          HD22      LEU 125   1.696  -0.870   1.711
  754   HD23  LEU 125          HD23      LEU 125   2.641  -1.706   2.945
  755    H    TRP 126           HN       TRP 126  -0.632  -3.009  -2.439
  756    HA   TRP 126           HA       TRP 126   1.041  -1.527  -4.159
  757    HB2  TRP 126           HB2      TRP 126   0.199  -3.528  -5.095
  758    HB3  TRP 126           HB3      TRP 126  -1.468  -3.117  -4.674
  759    HD1  TRP 126           HD1      TRP 126  -2.856  -1.839  -6.420
  760    HE1  TRP 126           HE1      TRP 126  -2.318  -0.702  -8.694
  761    HE3  TRP 126           HE3      TRP 126   2.233  -2.338  -6.404
  762    HZ2  TRP 126           HZ2      TRP 126  -0.008  -0.118 -10.247
  763    HZ3  TRP 126           HZ3      TRP 126   3.530  -1.476  -8.306
  764    HH2  TRP 126           HH2      TRP 126   2.426  -0.392 -10.192
  765    H    GLU 127           HN       GLU 127  -2.353  -1.115  -3.202
  766    HA   GLU 127           HA       GLU 127  -2.950   1.085  -4.755
  767    HB2  GLU 127           HB2      GLU 127  -4.106  -0.219  -2.528
  768    HB3  GLU 127           HB3      GLU 127  -4.035   1.509  -2.159
  769    HG2  GLU 127           HG2      GLU 127  -6.128   0.838  -3.227
  770    HG3  GLU 127           HG3      GLU 127  -5.235   2.041  -4.145
  771    H    HIS 128           HN       HIS 128  -1.770   1.177  -1.365
  772    HA   HIS 128           HA       HIS 128  -1.240   3.943  -1.461
  773    HB2  HIS 128           HB2      HIS 128  -1.240   2.474   0.640
  774    HB3  HIS 128           HB3      HIS 128   0.418   2.055   0.210
  775    HD1  HIS 128           HD1      HIS 128   0.724   3.340   2.671
  776    HD2  HIS 128           HD2      HIS 128  -0.116   5.677  -0.674
  777    HE1  HIS 128           HE1      HIS 128   1.328   5.692   3.325
  778    HE2  HIS 128           HE2      HIS 128   0.785   7.101   1.310
  779    H    LEU 129           HN       LEU 129   0.761   1.186  -2.484
  780    HA   LEU 129           HA       LEU 129   3.138   2.485  -3.010
  781    HB2  LEU 129           HB2      LEU 129   2.807   0.074  -3.347
  782    HB3  LEU 129           HB3      LEU 129   1.699   0.393  -4.665
  783    HG   LEU 129           HG       LEU 129   3.392   0.907  -6.154
  784   HD11  LEU 129          HD11      LEU 129   4.384   2.660  -4.738
  785   HD12  LEU 129          HD12      LEU 129   5.201   1.415  -3.791
  786   HD13  LEU 129          HD13      LEU 129   5.617   1.640  -5.492
  787   HD21  LEU 129          HD21      LEU 129   3.555  -1.443  -5.359
  788   HD22  LEU 129          HD22      LEU 129   5.088  -0.788  -5.938
  789   HD23  LEU 129          HD23      LEU 129   4.788  -0.924  -4.206
  790    H    GLU 130           HN       GLU 130   0.238   2.207  -4.965
  791    HA   GLU 130           HA       GLU 130   1.167   3.893  -6.996
  792    HB2  GLU 130           HB2      GLU 130  -0.732   2.190  -7.105
  793    HB3  GLU 130           HB3      GLU 130  -1.717   3.370  -6.261
  794    HG2  GLU 130           HG2      GLU 130  -1.280   4.948  -8.151
  795    HG3  GLU 130           HG3      GLU 130  -0.520   3.600  -8.999
  796    H    ILE 131           HN       ILE 131  -0.981   4.430  -4.243
  797    HA   ILE 131           HA       ILE 131  -1.643   7.075  -4.581
  798    HB   ILE 131           HB       ILE 131  -1.250   5.358  -2.196
  799   HG12  ILE 131          HG12      ILE 131  -3.611   5.699  -1.873
  800   HG13  ILE 131          HG13      ILE 131  -3.637   7.016  -3.040
  801   HG21  ILE 131          HG21      ILE 131  -1.800   8.325  -2.086
  802   HG22  ILE 131          HG22      ILE 131  -2.040   7.204  -0.737
  803   HG23  ILE 131          HG23      ILE 131  -0.420   7.472  -1.387
  804   HD11  ILE 131          HD11      ILE 131  -4.663   5.070  -3.979
  805   HD12  ILE 131          HD12      ILE 131  -3.141   5.396  -4.821
  806   HD13  ILE 131          HD13      ILE 131  -3.235   4.093  -3.623
  807    H    LEU 132           HN       LEU 132   1.351   5.769  -3.163
  808    HA   LEU 132           HA       LEU 132   2.501   8.156  -2.319
  809    HB2  LEU 132           HB2      LEU 132   4.140   6.022  -3.644
  810    HB3  LEU 132           HB3      LEU 132   4.606   7.091  -2.338
  811    HG   LEU 132           HG       LEU 132   2.428   5.120  -1.871
  812   HD11  LEU 132          HD11      LEU 132   4.162   3.826  -2.981
  813   HD12  LEU 132          HD12      LEU 132   5.390   4.504  -1.910
  814   HD13  LEU 132          HD13      LEU 132   4.139   3.446  -1.257
  815   HD21  LEU 132          HD21      LEU 132   3.409   5.110   0.389
  816   HD22  LEU 132          HD22      LEU 132   4.687   6.197  -0.151
  817   HD23  LEU 132          HD23      LEU 132   3.013   6.753  -0.121
  818    H    GLN 133           HN       GLN 133   2.497   6.582  -5.421
  819    HA   GLN 133           HA       GLN 133   4.285   8.557  -6.522
  820    HB2  GLN 133           HB2      GLN 133   4.149   7.302  -8.627
  821    HB3  GLN 133           HB3      GLN 133   4.593   6.269  -7.278
  822    HG2  GLN 133           HG2      GLN 133   2.024   5.793  -7.208
  823    HG3  GLN 133           HG3      GLN 133   2.095   6.340  -8.880
  824   HE21  GLN 133          HE21      GLN 133   3.168   3.941  -6.596
  825   HE22  GLN 133          HE22      GLN 133   3.601   2.740  -7.758
  826    H    LYS 134           HN       LYS 134   0.840   7.952  -6.340
  827    HA   LYS 134           HA       LYS 134   0.085   9.890  -8.173
  828    HB2  LYS 134           HB2      LYS 134  -1.221   8.591  -5.801
  829    HB3  LYS 134           HB3      LYS 134  -2.029   9.897  -6.689
  830    HG2  LYS 134           HG2      LYS 134  -2.629   8.491  -8.282
  831    HG3  LYS 134           HG3      LYS 134  -0.954   7.972  -8.516
  832    HD2  LYS 134           HD2      LYS 134  -1.856   6.013  -7.819
  833    HD3  LYS 134           HD3      LYS 134  -1.389   6.709  -6.252
  834    HE2  LYS 134           HE2      LYS 134  -3.605   5.926  -5.983
  835    HE3  LYS 134           HE3      LYS 134  -3.740   7.675  -6.166
  836    HZ1  LYS 134           HZ1      LYS 134  -4.324   5.589  -8.191
  837    HZ2  LYS 134           HZ2      LYS 134  -4.211   7.238  -8.578
  838    HZ3  LYS 134           HZ3      LYS 134  -5.411   6.699  -7.504
  839    H    GLU 135           HN       GLU 135   1.353  10.308  -4.914
  840    HA   GLU 135           HA       GLU 135   0.507  12.907  -4.483
  841    HB2  GLU 135           HB2      GLU 135   3.087  11.513  -3.835
  842    HB3  GLU 135           HB3      GLU 135   2.809  13.188  -3.376
  843    HG2  GLU 135           HG2      GLU 135   1.156  10.812  -2.543
  844    HG3  GLU 135           HG3      GLU 135   2.296  11.704  -1.534
  845    H    ASP 136           HN       ASP 136   2.800  11.663  -6.766
  846    HA   ASP 136           HA       ASP 136   2.931  14.340  -7.976
  847    HB2  ASP 136           HB2      ASP 136   5.125  12.267  -7.796
  848    HB3  ASP 136           HB3      ASP 136   5.168  13.604  -8.941
  849    H    VAL 137           HN       VAL 137   0.901  12.553  -8.492
  850    HA   VAL 137           HA       VAL 137   1.509  10.813 -10.660
  851    HB   VAL 137           HB       VAL 137  -0.382  10.318  -9.231
  852   HG11  VAL 137          HG11      VAL 137  -1.634  12.844 -10.298
  853   HG12  VAL 137          HG12      VAL 137  -2.450  11.633  -9.304
  854   HG13  VAL 137          HG13      VAL 137  -1.095  12.546  -8.642
  855   HG21  VAL 137          HG21      VAL 137  -1.212  10.942 -12.064
  856   HG22  VAL 137          HG22      VAL 137  -0.472   9.450 -11.483
  857   HG23  VAL 137          HG23      VAL 137  -2.096   9.892 -10.956
  858    H    LYS 138           HN       LYS 138   1.481  11.125 -12.786
  859    HA   LYS 138           HA       LYS 138   0.862  13.838 -13.741
  860    HB2  LYS 138           HB2      LYS 138   3.324  13.281 -13.492
  861    HB3  LYS 138           HB3      LYS 138   3.099  12.087 -14.762
  862    HG2  LYS 138           HG2      LYS 138   2.483  13.809 -16.332
  863    HG3  LYS 138           HG3      LYS 138   2.564  15.034 -15.060
  864    HD2  LYS 138           HD2      LYS 138   4.972  14.404 -14.747
  865    HD3  LYS 138           HD3      LYS 138   4.832  13.403 -16.193
  866    HE2  LYS 138           HE2      LYS 138   5.788  15.590 -16.709
  867    HE3  LYS 138           HE3      LYS 138   4.230  15.372 -17.503
  868    HZ1  LYS 138           HZ1      LYS 138   4.601  16.840 -14.947
  869    HZ2  LYS 138           HZ2      LYS 138   3.184  16.746 -15.874
  870    HZ3  LYS 138           HZ3      LYS 138   4.527  17.579 -16.469
  Start of MODEL   23
    1    H1   MET  29           H1       MET  29 -29.271   4.221   5.245
    2    H2   MET  29           H2       MET  29 -29.850   3.742   3.730
    3    H3   MET  29           H3       MET  29 -29.609   2.589   4.945
    4    HA   MET  29           HA       MET  29 -31.942   3.042   4.726
    5    HB2  MET  29           HB2      MET  29 -32.417   3.449   7.031
    6    HB3  MET  29           HB3      MET  29 -30.875   2.605   6.973
    7    HG2  MET  29           HG2      MET  29 -29.787   4.891   7.113
    8    HG3  MET  29           HG3      MET  29 -31.385   5.512   7.519
    9    HE1  MET  29           HE1      MET  29 -28.824   2.672  10.074
   10    HE2  MET  29           HE2      MET  29 -29.406   2.222   8.471
   11    HE3  MET  29           HE3      MET  29 -28.268   3.557   8.653
   12    H    GLU  30           HN       GLU  30 -29.951   5.753   4.454
   13    HA   GLU  30           HA       GLU  30 -31.940   7.742   5.006
   14    HB2  GLU  30           HB2      GLU  30 -30.225   9.347   4.287
   15    HB3  GLU  30           HB3      GLU  30 -29.600   8.213   5.472
   16    HG2  GLU  30           HG2      GLU  30 -29.165   7.920   2.508
   17    HG3  GLU  30           HG3      GLU  30 -28.059   8.783   3.570
   18    H    CYS  31           HN       CYS  31 -33.427   8.471   3.693
   19    HA   CYS  31           HA       CYS  31 -34.414   9.379   1.860
   20    HB2  CYS  31           HB2      CYS  31 -31.803   8.868   0.431
   21    HB3  CYS  31           HB3      CYS  31 -33.099   9.935  -0.105
   22    HG   CYS  31           HG       CYS  31 -32.571  11.982   1.445
   23    H    ALA  32           HN       ALA  32 -35.292   8.826  -0.283
   24    HA   ALA  32           HA       ALA  32 -35.740   5.995  -0.580
   25    HB1  ALA  32           HB1      ALA  32 -36.583   8.285  -2.361
   26    HB2  ALA  32           HB2      ALA  32 -37.170   6.627  -2.459
   27    HB3  ALA  32           HB3      ALA  32 -37.535   7.609  -1.040
   28    H    ASP  33           HN       ASP  33 -33.801   8.484  -2.035
   29    HA   ASP  33           HA       ASP  33 -32.667   6.695  -4.021
   30    HB2  ASP  33           HB2      ASP  33 -32.922   9.116  -4.485
   31    HB3  ASP  33           HB3      ASP  33 -31.835   9.479  -3.149
   32    H    VAL  34           HN       VAL  34 -32.595   5.736  -1.450
   33    HA   VAL  34           HA       VAL  34 -30.378   6.203   0.121
   34    HB   VAL  34           HB       VAL  34 -32.196   4.913   0.966
   35   HG11  VAL  34          HG11      VAL  34 -32.742   2.665   0.165
   36   HG12  VAL  34          HG12      VAL  34 -32.964   3.880  -1.094
   37   HG13  VAL  34          HG13      VAL  34 -31.544   2.833  -1.116
   38   HG21  VAL  34          HG21      VAL  34 -29.767   3.147   0.728
   39   HG22  VAL  34          HG22      VAL  34 -30.036   4.395   1.944
   40   HG23  VAL  34          HG23      VAL  34 -31.062   2.961   1.909
   41    HA   PRO  35           HA       PRO  35 -27.111   4.591  -2.530
   42    HB2  PRO  35           HB2      PRO  35 -25.431   5.378  -0.246
   43    HB3  PRO  35           HB3      PRO  35 -25.357   5.909  -1.931
   44    HG2  PRO  35           HG2      PRO  35 -26.220   7.552  -0.015
   45    HG3  PRO  35           HG3      PRO  35 -26.956   7.544  -1.628
   46    HD2  PRO  35           HD2      PRO  35 -27.944   6.250   0.898
   47    HD3  PRO  35           HD3      PRO  35 -28.844   7.218  -0.293
   48    H    LEU  36           HN       LEU  36 -26.668   2.526  -2.606
   49    HA   LEU  36           HA       LEU  36 -26.277   1.058  -0.079
   50    HB2  LEU  36           HB2      LEU  36 -27.552   0.096  -2.638
   51    HB3  LEU  36           HB3      LEU  36 -27.153  -0.943  -1.285
   52    HG   LEU  36           HG       LEU  36 -29.135   1.333  -1.233
   53   HD11  LEU  36          HD11      LEU  36 -29.914  -0.586  -2.512
   54   HD12  LEU  36          HD12      LEU  36 -29.537  -1.652  -1.158
   55   HD13  LEU  36          HD13      LEU  36 -30.800  -0.432  -0.996
   56   HD21  LEU  36          HD21      LEU  36 -28.064   1.088   0.924
   57   HD22  LEU  36          HD22      LEU  36 -29.713   0.469   1.000
   58   HD23  LEU  36          HD23      LEU  36 -28.354  -0.652   0.900
   59    H    LEU  37           HN       LEU  37 -24.550  -0.189   0.131
   60    HA   LEU  37           HA       LEU  37 -23.101  -1.225  -2.106
   61    HB2  LEU  37           HB2      LEU  37 -20.942  -0.229  -1.599
   62    HB3  LEU  37           HB3      LEU  37 -22.103   1.000  -2.023
   63    HG   LEU  37           HG       LEU  37 -20.734   1.890  -0.320
   64   HD11  LEU  37          HD11      LEU  37 -23.330   1.061   0.940
   65   HD12  LEU  37          HD12      LEU  37 -22.255   2.320   1.547
   66   HD13  LEU  37          HD13      LEU  37 -23.027   2.505  -0.026
   67   HD21  LEU  37          HD21      LEU  37 -19.747  -0.119   0.552
   68   HD22  LEU  37          HD22      LEU  37 -20.402   0.852   1.872
   69   HD23  LEU  37          HD23      LEU  37 -21.271  -0.576   1.312
   70    H    THR  38           HN       THR  38 -21.577  -2.868  -1.462
   71    HA   THR  38           HA       THR  38 -22.035  -3.743   1.322
   72    HB   THR  38           HB       THR  38 -21.612  -5.553  -1.062
   73    HG1  THR  38           HG1      THR  38 -23.686  -4.269  -0.872
   74   HG21  THR  38          HG21      THR  38 -20.922  -6.491   1.112
   75   HG22  THR  38          HG22      THR  38 -22.331  -7.324   0.454
   76   HG23  THR  38          HG23      THR  38 -22.528  -6.152   1.756
   77    HA   PRO  39           HA       PRO  39 -17.539  -3.479   1.190
   78    HB2  PRO  39           HB2      PRO  39 -17.557  -3.133   4.017
   79    HB3  PRO  39           HB3      PRO  39 -17.331  -1.890   2.787
   80    HG2  PRO  39           HG2      PRO  39 -19.508  -2.080   4.501
   81    HG3  PRO  39           HG3      PRO  39 -19.465  -1.156   2.990
   82    HD2  PRO  39           HD2      PRO  39 -20.618  -3.859   3.532
   83    HD3  PRO  39           HD3      PRO  39 -21.213  -2.570   2.463
   84    H    SER  40           HN       SER  40 -16.588  -5.462   0.995
   85    HA   SER  40           HA       SER  40 -16.562  -7.041   3.464
   86    HB2  SER  40           HB2      SER  40 -16.816  -8.172   0.673
   87    HB3  SER  40           HB3      SER  40 -16.564  -9.128   2.134
   88    HG   SER  40           HG       SER  40 -18.633  -7.422   2.456
   89    H    SER  41           HN       SER  41 -14.933  -7.103   0.245
   90    HA   SER  41           HA       SER  41 -12.444  -7.598   1.677
   91    HB2  SER  41           HB2      SER  41 -13.029  -8.991  -0.288
   92    HB3  SER  41           HB3      SER  41 -12.943  -7.556  -1.306
   93    HG   SER  41           HG       SER  41 -10.849  -8.822   0.135
   94    H    LYS  42           HN       LYS  42 -13.327  -5.439  -1.057
   95    HA   LYS  42           HA       LYS  42 -10.867  -3.996  -0.473
   96    HB2  LYS  42           HB2      LYS  42 -11.318  -4.829  -2.765
   97    HB3  LYS  42           HB3      LYS  42 -12.650  -3.688  -2.875
   98    HG2  LYS  42           HG2      LYS  42 -11.217  -1.833  -2.840
   99    HG3  LYS  42           HG3      LYS  42  -9.836  -2.787  -2.264
  100    HD2  LYS  42           HD2      LYS  42  -9.798  -3.985  -4.410
  101    HD3  LYS  42           HD3      LYS  42 -11.192  -3.062  -4.968
  102    HE2  LYS  42           HE2      LYS  42  -9.239  -2.095  -5.938
  103    HE3  LYS  42           HE3      LYS  42  -9.830  -0.988  -4.700
  104    HZ1  LYS  42           HZ1      LYS  42  -7.591  -2.921  -4.347
  105    HZ2  LYS  42           HZ2      LYS  42  -8.142  -1.809  -3.196
  106    HZ3  LYS  42           HZ3      LYS  42  -7.422  -1.257  -4.624
  107    H    GLU  43           HN       GLU  43 -14.289  -3.513  -0.195
  108    HA   GLU  43           HA       GLU  43 -14.288  -0.689  -0.357
  109    HB2  GLU  43           HB2      GLU  43 -16.329  -2.138  -0.436
  110    HB3  GLU  43           HB3      GLU  43 -16.145  -2.411   1.290
  111    HG2  GLU  43           HG2      GLU  43 -17.810  -0.725   0.925
  112    HG3  GLU  43           HG3      GLU  43 -16.394   0.010   1.672
  113    H    MET  44           HN       MET  44 -13.403  -2.937   2.146
  114    HA   MET  44           HA       MET  44 -13.227  -1.175   4.310
  115    HB2  MET  44           HB2      MET  44 -11.786  -3.709   3.592
  116    HB3  MET  44           HB3      MET  44 -11.291  -2.779   5.002
  117    HG2  MET  44           HG2      MET  44 -12.839  -4.591   5.565
  118    HG3  MET  44           HG3      MET  44 -13.482  -3.002   5.976
  119    HE1  MET  44           HE1      MET  44 -15.908  -3.811   6.238
  120    HE2  MET  44           HE2      MET  44 -16.777  -4.797   5.060
  121    HE3  MET  44           HE3      MET  44 -15.406  -5.476   5.940
  122    H    MET  45           HN       MET  45 -10.638  -2.115   1.992
  123    HA   MET  45           HA       MET  45  -8.832  -0.153   2.959
  124    HB2  MET  45           HB2      MET  45  -7.465  -0.591   1.057
  125    HB3  MET  45           HB3      MET  45  -8.149  -2.131   1.574
  126    HG2  MET  45           HG2      MET  45  -9.911  -1.796  -0.194
  127    HG3  MET  45           HG3      MET  45  -8.947  -0.438  -0.772
  128    HE1  MET  45           HE1      MET  45  -6.477  -0.668  -1.587
  129    HE2  MET  45           HE2      MET  45  -5.987  -1.635  -0.198
  130    HE3  MET  45           HE3      MET  45  -5.639  -2.203  -1.831
  131    H    SER  46           HN       SER  46 -11.309  -0.106   0.480
  132    HA   SER  46           HA       SER  46 -10.817   2.302  -0.746
  133    HB2  SER  46           HB2      SER  46 -12.581   0.895  -1.496
  134    HB3  SER  46           HB3      SER  46 -13.399   0.975   0.061
  135    HG   SER  46           HG       SER  46 -14.471   2.548  -0.791
  136    H    GLN  47           HN       GLN  47 -12.774   1.819   2.216
  137    HA   GLN  47           HA       GLN  47 -12.743   4.634   2.733
  138    HB2  GLN  47           HB2      GLN  47 -13.834   4.071   4.879
  139    HB3  GLN  47           HB3      GLN  47 -14.659   3.400   3.483
  140    HG2  GLN  47           HG2      GLN  47 -13.622   1.221   3.950
  141    HG3  GLN  47           HG3      GLN  47 -12.867   1.913   5.385
  142   HE21  GLN  47          HE21      GLN  47 -15.833   0.860   3.931
  143   HE22  GLN  47          HE22      GLN  47 -16.789   0.881   5.379
  144    H    ALA  48           HN       ALA  48 -11.113   1.844   4.272
  145    HA   ALA  48           HA       ALA  48  -9.865   3.430   6.265
  146    HB1  ALA  48           HB1      ALA  48 -10.298   1.021   6.547
  147    HB2  ALA  48           HB2      ALA  48  -9.059   0.680   5.335
  148    HB3  ALA  48           HB3      ALA  48  -8.613   1.453   6.858
  149    H    LEU  49           HN       LEU  49  -8.525   1.959   3.250
  150    HA   LEU  49           HA       LEU  49  -5.876   2.783   3.896
  151    HB2  LEU  49           HB2      LEU  49  -7.189   1.221   1.824
  152    HB3  LEU  49           HB3      LEU  49  -6.051   2.371   1.135
  153    HG   LEU  49           HG       LEU  49  -5.507   0.102   2.998
  154   HD11  LEU  49          HD11      LEU  49  -3.943  -0.496   1.242
  155   HD12  LEU  49          HD12      LEU  49  -5.571  -0.279   0.599
  156   HD13  LEU  49          HD13      LEU  49  -4.356   0.976   0.365
  157   HD21  LEU  49          HD21      LEU  49  -3.729   2.467   2.441
  158   HD22  LEU  49          HD22      LEU  49  -4.284   1.885   4.007
  159   HD23  LEU  49          HD23      LEU  49  -3.139   0.927   3.066
  160    H    LYS  50           HN       LYS  50  -8.223   3.782   1.443
  161    HA   LYS  50           HA       LYS  50  -6.560   5.679   0.275
  162    HB2  LYS  50           HB2      LYS  50  -9.579   5.772   0.260
  163    HB3  LYS  50           HB3      LYS  50  -8.476   6.388  -0.965
  164    HG2  LYS  50           HG2      LYS  50  -8.889   3.486  -0.261
  165    HG3  LYS  50           HG3      LYS  50  -9.517   4.313  -1.688
  166    HD2  LYS  50           HD2      LYS  50  -6.570   4.116  -1.049
  167    HD3  LYS  50           HD3      LYS  50  -7.419   2.942  -2.058
  168    HE2  LYS  50           HE2      LYS  50  -7.487   5.887  -2.641
  169    HE3  LYS  50           HE3      LYS  50  -6.178   4.855  -3.217
  170    HZ1  LYS  50           HZ1      LYS  50  -9.028   4.236  -3.750
  171    HZ2  LYS  50           HZ2      LYS  50  -7.651   3.607  -4.519
  172    HZ3  LYS  50           HZ3      LYS  50  -8.108   5.219  -4.780
  173    H    ALA  51           HN       ALA  51  -8.703   5.875   3.008
  174    HA   ALA  51           HA       ALA  51  -8.451   8.728   3.319
  175    HB1  ALA  51           HB1      ALA  51  -9.632   8.448   5.407
  176    HB2  ALA  51           HB2      ALA  51 -10.439   7.534   4.131
  177    HB3  ALA  51           HB3      ALA  51  -9.434   6.698   5.316
  178    H    THR  52           HN       THR  52  -6.843   5.857   4.619
  179    HA   THR  52           HA       THR  52  -5.636   7.270   6.805
  180    HB   THR  52           HB       THR  52  -6.290   4.807   6.757
  181    HG1  THR  52           HG1      THR  52  -3.618   4.934   7.564
  182   HG21  THR  52          HG21      THR  52  -5.226   4.237   4.612
  183   HG22  THR  52          HG22      THR  52  -4.612   3.229   5.926
  184   HG23  THR  52          HG23      THR  52  -3.643   4.569   5.313
  185    H    PHE  53           HN       PHE  53  -4.851   7.139   3.570
  186    HA   PHE  53           HA       PHE  53  -2.232   6.342   3.458
  187    HB2  PHE  53           HB2      PHE  53  -3.774   8.267   1.758
  188    HB3  PHE  53           HB3      PHE  53  -2.089   7.889   1.413
  189    HD1  PHE  53           HD2      PHE  53  -2.150   4.989   2.214
  190    HD2  PHE  53           HD1      PHE  53  -4.789   7.351  -0.125
  191    HE1  PHE  53           HE2      PHE  53  -2.840   2.981   0.971
  192    HE2  PHE  53           HE1      PHE  53  -5.488   5.352  -1.361
  193    HZ   PHE  53           HZ       PHE  53  -4.517   3.163  -0.815
  194    H    SER  54           HN       SER  54  -3.430   9.487   4.407
  195    HA   SER  54           HA       SER  54  -1.056  10.951   4.107
  196    HB2  SER  54           HB2      SER  54  -3.258  11.991   4.482
  197    HB3  SER  54           HB3      SER  54  -3.280  11.347   6.122
  198    HG   SER  54           HG       SER  54  -1.037  12.595   6.005
  199    H    GLY  55           HN       GLY  55  -2.036   8.621   6.479
  200    HA2  GLY  55           HA1      GLY  55  -0.568   9.288   8.711
  201    HA3  GLY  55           HA2      GLY  55  -0.898   7.643   8.199
  202    H    PHE  56           HN       PHE  56   0.593   6.971   6.250
  203    HA   PHE  56           HA       PHE  56   3.211   6.938   7.340
  204    HB2  PHE  56           HB2      PHE  56   2.516   5.033   6.023
  205    HB3  PHE  56           HB3      PHE  56   2.251   6.053   4.610
  206    HD1  PHE  56           HD1      PHE  56   4.869   4.785   6.902
  207    HD2  PHE  56           HD2      PHE  56   3.989   6.526   3.120
  208    HE1  PHE  56           HE1      PHE  56   7.173   4.343   6.170
  209    HE2  PHE  56           HE2      PHE  56   6.295   6.095   2.384
  210    HZ   PHE  56           HZ       PHE  56   7.943   5.192   3.983
  211    H    THR  57           HN       THR  57   1.761   8.700   4.693
  212    HA   THR  57           HA       THR  57   4.186   9.606   3.518
  213    HB   THR  57           HB       THR  57   1.575  11.111   3.401
  214    HG1  THR  57           HG1      THR  57   2.183   9.250   1.427
  215   HG21  THR  57          HG21      THR  57   3.519  12.206   2.387
  216   HG22  THR  57          HG22      THR  57   2.351  11.709   1.161
  217   HG23  THR  57          HG23      THR  57   3.819  10.767   1.412
  218    H    LYS  58           HN       LYS  58   2.006  10.964   5.880
  219    HA   LYS  58           HA       LYS  58   3.157  13.476   6.242
  220    HB2  LYS  58           HB2      LYS  58   1.016  12.759   7.273
  221    HB3  LYS  58           HB3      LYS  58   1.923  11.781   8.418
  222    HG2  LYS  58           HG2      LYS  58   2.832  13.671   9.477
  223    HG3  LYS  58           HG3      LYS  58   2.347  14.741   8.159
  224    HD2  LYS  58           HD2      LYS  58   0.893  15.025  10.101
  225    HD3  LYS  58           HD3      LYS  58  -0.005  14.380   8.728
  226    HE2  LYS  58           HE2      LYS  58  -0.679  13.206  10.708
  227    HE3  LYS  58           HE3      LYS  58   0.254  12.111   9.690
  228    HZ1  LYS  58           HZ1      LYS  58   1.266  13.549  12.086
  229    HZ2  LYS  58           HZ2      LYS  58   2.190  12.524  11.094
  230    HZ3  LYS  58           HZ3      LYS  58   0.898  11.897  11.991
  231    H    GLU  59           HN       GLU  59   3.988  10.395   7.818
  232    HA   GLU  59           HA       GLU  59   6.238  11.619   9.173
  233    HB2  GLU  59           HB2      GLU  59   6.135   9.883  10.566
  234    HB3  GLU  59           HB3      GLU  59   4.642   9.441   9.744
  235    HG2  GLU  59           HG2      GLU  59   5.842   7.961   8.273
  236    HG3  GLU  59           HG3      GLU  59   7.382   8.450   8.997
  237    H    GLN  60           HN       GLN  60   5.618   9.943   6.248
  238    HA   GLN  60           HA       GLN  60   8.105   8.868   5.590
  239    HB2  GLN  60           HB2      GLN  60   6.098   8.495   4.258
  240    HB3  GLN  60           HB3      GLN  60   6.029  10.195   3.835
  241    HG2  GLN  60           HG2      GLN  60   8.156   9.936   2.616
  242    HG3  GLN  60           HG3      GLN  60   8.104   8.203   2.968
  243   HE21  GLN  60          HE21      GLN  60   7.967   7.705   0.771
  244   HE22  GLN  60          HE22      GLN  60   6.521   7.943  -0.133
  245    H    GLN  61           HN       GLN  61   6.781  12.072   4.937
  246    HA   GLN  61           HA       GLN  61   9.091  13.256   3.850
  247    HB2  GLN  61           HB2      GLN  61   6.681  14.311   5.301
  248    HB3  GLN  61           HB3      GLN  61   8.013  15.395   4.921
  249    HG2  GLN  61           HG2      GLN  61   6.425  15.648   3.194
  250    HG3  GLN  61           HG3      GLN  61   7.759  14.728   2.513
  251   HE21  GLN  61          HE21      GLN  61   7.437  12.536   2.015
  252   HE22  GLN  61          HE22      GLN  61   5.849  11.873   1.855
  253    H    ARG  62           HN       ARG  62   7.999  12.705   7.107
  254    HA   ARG  62           HA       ARG  62   9.840  14.357   8.470
  255    HB2  ARG  62           HB2      ARG  62   7.586  13.476   9.228
  256    HB3  ARG  62           HB3      ARG  62   8.381  11.940   9.522
  257    HG2  ARG  62           HG2      ARG  62   9.183  14.515  10.851
  258    HG3  ARG  62           HG3      ARG  62   8.046  13.353  11.537
  259    HD2  ARG  62           HD2      ARG  62   9.750  11.655  11.602
  260    HD3  ARG  62           HD3      ARG  62  10.891  12.715  10.772
  261    HE   ARG  62           HE       ARG  62   9.800  13.526  13.367
  262   HH11  ARG  62          HH12      ARG  62  12.519  12.516  11.411
  263   HH12  ARG  62          HH11      ARG  62  13.707  12.963  12.596
  264   HH21  ARG  62          HH22      ARG  62  11.338  14.143  14.912
  265   HH22  ARG  62          HH21      ARG  62  13.026  13.893  14.602
  266    H    LEU  63           HN       LEU  63   9.711  10.849   7.940
  267    HA   LEU  63           HA       LEU  63  12.267  10.321   9.076
  268    HB2  LEU  63           HB2      LEU  63  10.528   8.669   7.269
  269    HB3  LEU  63           HB3      LEU  63  11.997   8.084   8.022
  270    HG   LEU  63           HG       LEU  63   9.518   8.988   9.488
  271   HD11  LEU  63          HD11      LEU  63  10.669   6.243   9.015
  272   HD12  LEU  63          HD12      LEU  63   9.310   6.613  10.078
  273   HD13  LEU  63          HD13      LEU  63   9.172   6.884   8.340
  274   HD21  LEU  63          HD21      LEU  63  12.092   7.794  10.512
  275   HD22  LEU  63          HD22      LEU  63  11.538   9.449  10.768
  276   HD23  LEU  63          HD23      LEU  63  10.647   8.100  11.478
  277    H    GLY  64           HN       GLY  64  11.701  12.109   6.550
  278    HA2  GLY  64           HA1      GLY  64  12.989  12.800   4.779
  279    HA3  GLY  64           HA2      GLY  64  14.303  11.855   5.472
  280    H    ILE  65           HN       ILE  65  11.369  10.236   4.858
  281    HA   ILE  65           HA       ILE  65  12.671   8.555   2.964
  282    HB   ILE  65           HB       ILE  65   9.806   8.499   3.910
  283   HG12  ILE  65          HG12      ILE  65  12.260   6.930   4.709
  284   HG13  ILE  65          HG13      ILE  65  11.287   7.986   5.727
  285   HG21  ILE  65          HG21      ILE  65  11.337   6.475   2.268
  286   HG22  ILE  65          HG22      ILE  65   9.719   6.244   2.929
  287   HG23  ILE  65          HG23      ILE  65  10.002   7.479   1.703
  288   HD11  ILE  65          HD11      ILE  65   9.412   6.414   5.528
  289   HD12  ILE  65          HD12      ILE  65  10.430   5.348   4.552
  290   HD13  ILE  65          HD13      ILE  65  10.846   5.669   6.236
  291    HA   PRO  66           HA       PRO  66  11.613  10.939  -0.696
  292    HB2  PRO  66           HB2      PRO  66  11.642   8.156  -1.762
  293    HB3  PRO  66           HB3      PRO  66  12.415   9.607  -2.406
  294    HG2  PRO  66           HG2      PRO  66  13.811   7.719  -1.110
  295    HG3  PRO  66           HG3      PRO  66  14.211   9.443  -0.967
  296    HD2  PRO  66           HD2      PRO  66  12.944   7.622   0.988
  297    HD3  PRO  66           HD3      PRO  66  13.888   9.099   1.262
  298    H    LYS  67           HN       LYS  67   9.587  11.528  -1.232
  299    HA   LYS  67           HA       LYS  67   7.287  10.260  -0.312
  300    HB2  LYS  67           HB2      LYS  67   6.091  11.770  -1.951
  301    HB3  LYS  67           HB3      LYS  67   7.173  12.571  -0.821
  302    HG2  LYS  67           HG2      LYS  67   8.811  12.928  -2.479
  303    HG3  LYS  67           HG3      LYS  67   8.023  11.817  -3.603
  304    HD2  LYS  67           HD2      LYS  67   6.619  14.277  -2.620
  305    HD3  LYS  67           HD3      LYS  67   7.754  14.360  -3.968
  306    HE2  LYS  67           HE2      LYS  67   5.389  12.492  -3.863
  307    HE3  LYS  67           HE3      LYS  67   5.353  14.079  -4.627
  308    HZ1  LYS  67           HZ1      LYS  67   7.018  13.385  -6.183
  309    HZ2  LYS  67           HZ2      LYS  67   5.784  12.229  -6.191
  310    HZ3  LYS  67           HZ3      LYS  67   7.237  11.907  -5.392
  311    H    ASP  68           HN       ASP  68   9.014   9.823  -3.304
  312    HA   ASP  68           HA       ASP  68   6.851   8.243  -4.482
  313    HB2  ASP  68           HB2      ASP  68   9.643   8.763  -5.542
  314    HB3  ASP  68           HB3      ASP  68   8.316   8.023  -6.432
  315    HA   PRO  69           HA       PRO  69   8.875   4.503  -3.174
  316    HB2  PRO  69           HB2      PRO  69   7.295   2.754  -4.352
  317    HB3  PRO  69           HB3      PRO  69   6.611   3.924  -3.214
  318    HG2  PRO  69           HG2      PRO  69   6.473   3.870  -6.190
  319    HG3  PRO  69           HG3      PRO  69   5.277   4.447  -5.017
  320    HD2  PRO  69           HD2      PRO  69   7.196   6.002  -6.448
  321    HD3  PRO  69           HD3      PRO  69   6.083   6.561  -5.179
  322    H    ARG  70           HN       ARG  70   9.631   5.798  -5.979
  323    HA   ARG  70           HA       ARG  70  10.407   3.430  -7.488
  324    HB2  ARG  70           HB2      ARG  70  11.046   6.205  -8.381
  325    HB3  ARG  70           HB3      ARG  70  10.536   4.816  -9.330
  326    HG2  ARG  70           HG2      ARG  70   8.676   6.185  -7.421
  327    HG3  ARG  70           HG3      ARG  70   8.905   6.764  -9.069
  328    HD2  ARG  70           HD2      ARG  70   8.157   3.911  -8.466
  329    HD3  ARG  70           HD3      ARG  70   6.949   5.190  -8.622
  330    HE   ARG  70           HE       ARG  70   8.876   4.669 -10.797
  331   HH11  ARG  70          HH12      ARG  70   5.571   4.845  -9.640
  332   HH12  ARG  70          HH11      ARG  70   4.877   4.723 -11.223
  333   HH21  ARG  70          HH22      ARG  70   7.942   4.527 -12.882
  334   HH22  ARG  70          HH21      ARG  70   6.210   4.571 -13.052
  335    H    GLN  71           HN       GLN  71  11.805   5.048  -5.061
  336    HA   GLN  71           HA       GLN  71  14.543   4.573  -5.987
  337    HB2  GLN  71           HB2      GLN  71  15.305   6.799  -5.658
  338    HB3  GLN  71           HB3      GLN  71  13.825   6.943  -6.598
  339    HG2  GLN  71           HG2      GLN  71  14.108   7.391  -3.637
  340    HG3  GLN  71           HG3      GLN  71  13.906   8.632  -4.873
  341   HE21  GLN  71          HE21      GLN  71  12.353   5.957  -3.210
  342   HE22  GLN  71          HE22      GLN  71  10.726   6.455  -3.536
  343    H    TRP  72           HN       TRP  72  12.577   3.729  -3.779
  344    HA   TRP  72           HA       TRP  72  13.684   4.606  -1.328
  345    HB2  TRP  72           HB2      TRP  72  11.711   2.535  -2.240
  346    HB3  TRP  72           HB3      TRP  72  12.326   2.454  -0.589
  347    HD1  TRP  72           HD1      TRP  72  12.280   5.939  -0.864
  348    HE1  TRP  72           HE1      TRP  72  10.023   6.980  -0.205
  349    HE3  TRP  72           HE3      TRP  72   9.375   1.770  -1.126
  350    HZ2  TRP  72           HZ2      TRP  72   7.343   6.122   0.164
  351    HZ3  TRP  72           HZ3      TRP  72   6.985   1.956  -0.608
  352    HH2  TRP  72           HH2      TRP  72   5.991   4.083   0.020
  353    H    THR  73           HN       THR  73  14.823   3.283   0.224
  354    HA   THR  73           HA       THR  73  16.415   1.144  -0.906
  355    HB   THR  73           HB       THR  73  17.573   1.157   1.261
  356    HG1  THR  73           HG1      THR  73  16.684   2.042   2.965
  357   HG21  THR  73          HG21      THR  73  18.521   3.401   1.185
  358   HG22  THR  73          HG22      THR  73  17.142   3.974   0.246
  359   HG23  THR  73          HG23      THR  73  18.259   2.802  -0.455
  360    H    GLU  74           HN       GLU  74  16.632  -0.816   0.782
  361    HA   GLU  74           HA       GLU  74  14.174  -2.145   0.641
  362    HB2  GLU  74           HB2      GLU  74  15.214  -3.903   2.003
  363    HB3  GLU  74           HB3      GLU  74  16.270  -3.361   0.709
  364    HG2  GLU  74           HG2      GLU  74  17.511  -1.990   2.323
  365    HG3  GLU  74           HG3      GLU  74  16.474  -2.603   3.613
  366    H    THR  75           HN       THR  75  15.625  -0.307   3.280
  367    HA   THR  75           HA       THR  75  13.720  -1.074   5.252
  368    HB   THR  75           HB       THR  75  15.367   1.462   5.211
  369    HG1  THR  75           HG1      THR  75  16.533  -0.372   6.714
  370   HG21  THR  75          HG21      THR  75  15.251   1.260   7.647
  371   HG22  THR  75          HG22      THR  75  14.268  -0.195   7.482
  372   HG23  THR  75          HG23      THR  75  13.640   1.361   6.939
  373    H    HIS  76           HN       HIS  76  13.801   1.371   2.745
  374    HA   HIS  76           HA       HIS  76  11.795   3.044   3.967
  375    HB2  HIS  76           HB2      HIS  76  13.122   3.066   1.256
  376    HB3  HIS  76           HB3      HIS  76  11.781   4.139   1.637
  377    HD1  HIS  76           HD1      HIS  76  14.838   4.953   1.041
  378    HD2  HIS  76           HD2      HIS  76  12.927   4.857   4.726
  379    HE1  HIS  76           HE1      HIS  76  16.107   6.548   2.487
  380    HE2  HIS  76           HE2      HIS  76  14.859   6.576   4.684
  381    H    VAL  77           HN       VAL  77  11.927   0.630   1.403
  382    HA   VAL  77           HA       VAL  77   9.254   0.833   0.589
  383    HB   VAL  77           HB       VAL  77  11.265  -1.409   0.389
  384   HG11  VAL  77          HG11      VAL  77   9.723  -2.539  -1.136
  385   HG12  VAL  77          HG12      VAL  77   9.035  -2.402   0.482
  386   HG13  VAL  77          HG13      VAL  77   8.494  -1.320  -0.802
  387   HG21  VAL  77          HG21      VAL  77  11.707   0.576  -0.980
  388   HG22  VAL  77          HG22      VAL  77  11.282  -0.806  -1.994
  389   HG23  VAL  77          HG23      VAL  77  10.095   0.461  -1.680
  390    H    ARG  78           HN       ARG  78  10.913  -1.441   2.771
  391    HA   ARG  78           HA       ARG  78   8.605  -2.798   3.605
  392    HB2  ARG  78           HB2      ARG  78  11.409  -2.653   4.471
  393    HB3  ARG  78           HB3      ARG  78  10.263  -3.127   5.722
  394    HG2  ARG  78           HG2      ARG  78   9.443  -4.932   4.314
  395    HG3  ARG  78           HG3      ARG  78  10.550  -4.450   3.027
  396    HD2  ARG  78           HD2      ARG  78  11.709  -4.980   5.700
  397    HD3  ARG  78           HD3      ARG  78  11.127  -6.368   4.783
  398    HE   ARG  78           HE       ARG  78  12.611  -5.321   2.945
  399   HH11  ARG  78          HH12      ARG  78  13.321  -5.316   6.374
  400   HH12  ARG  78          HH11      ARG  78  15.044  -5.423   6.144
  401   HH21  ARG  78          HH22      ARG  78  14.861  -5.468   2.643
  402   HH22  ARG  78          HH21      ARG  78  15.925  -5.454   4.014
  403    H    ASP  79           HN       ASP  79   9.979   0.205   4.665
  404    HA   ASP  79           HA       ASP  79   8.713   0.560   7.138
  405    HB2  ASP  79           HB2      ASP  79  10.403   2.056   5.677
  406    HB3  ASP  79           HB3      ASP  79   8.894   2.869   5.252
  407    H    TRP  80           HN       TRP  80   7.744   1.556   3.886
  408    HA   TRP  80           HA       TRP  80   5.164   2.479   4.667
  409    HB2  TRP  80           HB2      TRP  80   5.969   3.571   2.814
  410    HB3  TRP  80           HB3      TRP  80   6.799   2.145   2.205
  411    HD1  TRP  80           HD1      TRP  80   3.440   3.947   2.055
  412    HE1  TRP  80           HE1      TRP  80   2.136   2.953   0.070
  413    HE3  TRP  80           HE3      TRP  80   6.481   0.002   0.935
  414    HZ2  TRP  80           HZ2      TRP  80   2.357   0.796  -1.732
  415    HZ3  TRP  80           HZ3      TRP  80   5.866  -1.483  -0.919
  416    HH2  TRP  80           HH2      TRP  80   3.842  -1.098  -2.218
  417    H    VAL  81           HN       VAL  81   6.584  -0.465   3.598
  418    HA   VAL  81           HA       VAL  81   4.353  -1.854   2.621
  419    HB   VAL  81           HB       VAL  81   7.064  -2.568   3.625
  420   HG11  VAL  81          HG11      VAL  81   5.706  -4.282   4.686
  421   HG12  VAL  81          HG12      VAL  81   4.950  -4.653   3.137
  422   HG13  VAL  81          HG13      VAL  81   6.674  -4.952   3.372
  423   HG21  VAL  81          HG21      VAL  81   7.216  -3.641   1.424
  424   HG22  VAL  81          HG22      VAL  81   5.537  -3.202   1.111
  425   HG23  VAL  81          HG23      VAL  81   6.754  -1.941   1.311
  426    H    MET  82           HN       MET  82   5.943  -2.104   5.789
  427    HA   MET  82           HA       MET  82   3.756  -3.533   6.892
  428    HB2  MET  82           HB2      MET  82   4.817  -3.324   9.048
  429    HB3  MET  82           HB3      MET  82   5.979  -3.807   7.824
  430    HG2  MET  82           HG2      MET  82   7.268  -2.067   8.245
  431    HG3  MET  82           HG3      MET  82   5.915  -0.947   8.094
  432    HE1  MET  82           HE1      MET  82   6.721  -3.219  12.029
  433    HE2  MET  82           HE2      MET  82   5.960  -3.922  10.601
  434    HE3  MET  82           HE3      MET  82   7.673  -3.504  10.571
  435    H    TRP  83           HN       TRP  83   4.123  -0.154   6.301
  436    HA   TRP  83           HA       TRP  83   2.575   0.672   8.557
  437    HB2  TRP  83           HB2      TRP  83   3.902   2.360   7.411
  438    HB3  TRP  83           HB3      TRP  83   3.021   2.089   5.908
  439    HD1  TRP  83           HD1      TRP  83   2.577   3.663   9.382
  440    HE1  TRP  83           HE1      TRP  83   0.546   5.246   9.292
  441    HE3  TRP  83           HE3      TRP  83   0.901   2.552   4.691
  442    HZ2  TRP  83           HZ2      TRP  83  -1.488   5.931   7.457
  443    HZ3  TRP  83           HZ3      TRP  83  -1.088   3.710   3.842
  444    HH2  TRP  83           HH2      TRP  83  -2.255   5.363   5.197
  445    H    ALA  84           HN       ALA  84   1.560   0.303   5.105
  446    HA   ALA  84           HA       ALA  84  -1.171   0.713   5.698
  447    HB1  ALA  84           HB1      ALA  84  -0.295   0.780   3.397
  448    HB2  ALA  84           HB2      ALA  84  -0.019  -0.962   3.460
  449    HB3  ALA  84           HB3      ALA  84  -1.663  -0.325   3.550
  450    H    VAL  85           HN       VAL  85   0.862  -2.102   5.637
  451    HA   VAL  85           HA       VAL  85  -0.949  -4.093   6.289
  452    HB   VAL  85           HB       VAL  85   1.988  -3.686   6.622
  453   HG11  VAL  85          HG11      VAL  85   1.400  -4.820   8.706
  454   HG12  VAL  85          HG12      VAL  85   0.536  -6.056   7.797
  455   HG13  VAL  85          HG13      VAL  85   2.280  -5.898   7.623
  456   HG21  VAL  85          HG21      VAL  85   0.292  -5.740   5.233
  457   HG22  VAL  85          HG22      VAL  85   1.143  -4.384   4.492
  458   HG23  VAL  85          HG23      VAL  85   2.055  -5.707   5.221
  459    H    ASN  86           HN       ASN  86   1.007  -2.112   8.593
  460    HA   ASN  86           HA       ASN  86  -0.145  -3.483  10.789
  461    HB2  ASN  86           HB2      ASN  86   1.295  -2.384  12.173
  462    HB3  ASN  86           HB3      ASN  86   2.149  -2.279  10.646
  463   HD21  ASN  86          HD21      ASN  86   0.469  -0.177   9.576
  464   HD22  ASN  86          HD22      ASN  86   0.896   1.270  10.444
  465    H    GLU  87           HN       GLU  87  -1.233  -0.812   8.966
  466    HA   GLU  87           HA       GLU  87  -2.805   0.388  11.069
  467    HB2  GLU  87           HB2      GLU  87  -1.976   1.706   9.127
  468    HB3  GLU  87           HB3      GLU  87  -2.958   0.717   8.057
  469    HG2  GLU  87           HG2      GLU  87  -4.000   2.868   8.497
  470    HG3  GLU  87           HG3      GLU  87  -4.980   1.542   9.121
  471    H    PHE  88           HN       PHE  88  -3.140  -1.827   8.416
  472    HA   PHE  88           HA       PHE  88  -5.921  -2.397   8.882
  473    HB2  PHE  88           HB2      PHE  88  -3.783  -3.271   7.016
  474    HB3  PHE  88           HB3      PHE  88  -5.100  -4.410   7.315
  475    HD1  PHE  88           HD1      PHE  88  -7.441  -3.744   6.845
  476    HD2  PHE  88           HD2      PHE  88  -4.118  -1.375   5.655
  477    HE1  PHE  88           HE1      PHE  88  -8.871  -2.557   5.236
  478    HE2  PHE  88           HE2      PHE  88  -5.541  -0.188   4.042
  479    HZ   PHE  88           HZ       PHE  88  -7.917  -0.775   3.834
  480    H    SER  89           HN       SER  89  -3.246  -3.138  10.608
  481    HA   SER  89           HA       SER  89  -2.447  -4.844  11.862
  482    HB2  SER  89           HB2      SER  89  -4.608  -4.285  13.021
  483    HB3  SER  89           HB3      SER  89  -5.367  -5.603  12.128
  484    HG   SER  89           HG       SER  89  -4.114  -5.784  14.410
  485    H    LEU  90           HN       LEU  90  -2.180  -5.413   9.207
  486    HA   LEU  90           HA       LEU  90  -3.284  -7.990   8.572
  487    HB2  LEU  90           HB2      LEU  90  -0.920  -6.583   7.303
  488    HB3  LEU  90           HB3      LEU  90  -1.910  -7.841   6.583
  489    HG   LEU  90           HG       LEU  90  -2.834  -5.036   7.254
  490   HD11  LEU  90          HD11      LEU  90  -2.283  -6.366   4.601
  491   HD12  LEU  90          HD12      LEU  90  -2.964  -4.754   4.832
  492   HD13  LEU  90          HD13      LEU  90  -1.315  -5.100   5.357
  493   HD21  LEU  90          HD21      LEU  90  -4.887  -5.693   6.055
  494   HD22  LEU  90          HD22      LEU  90  -4.266  -7.336   5.894
  495   HD23  LEU  90          HD23      LEU  90  -4.629  -6.685   7.491
  496    H    LYS  91           HN       LYS  91  -0.148  -6.684   9.439
  497    HA   LYS  91           HA       LYS  91   1.723  -7.584  10.358
  498    HB2  LYS  91           HB2      LYS  91  -0.310  -8.841  12.194
  499    HB3  LYS  91           HB3      LYS  91   1.331  -8.345  12.592
  500    HG2  LYS  91           HG2      LYS  91   0.654  -5.994  12.059
  501    HG3  LYS  91           HG3      LYS  91  -1.007  -6.573  11.927
  502    HD2  LYS  91           HD2      LYS  91  -0.825  -5.753  14.117
  503    HD3  LYS  91           HD3      LYS  91  -0.682  -7.506  14.281
  504    HE2  LYS  91           HE2      LYS  91   1.811  -7.203  14.231
  505    HE3  LYS  91           HE3      LYS  91   1.529  -5.467  14.321
  506    HZ1  LYS  91           HZ1      LYS  91   0.351  -5.832  16.427
  507    HZ2  LYS  91           HZ2      LYS  91   1.963  -6.357  16.501
  508    HZ3  LYS  91           HZ3      LYS  91   0.714  -7.488  16.339
  509    H    GLY  92           HN       GLY  92   0.879  -9.318   8.169
  510    HA2  GLY  92           HA1      GLY  92   2.431 -11.601   9.113
  511    HA3  GLY  92           HA2      GLY  92   0.907 -11.896   8.280
  512    H    VAL  93           HN       VAL  93   3.395  -9.469   7.748
  513    HA   VAL  93           HA       VAL  93   3.390 -10.101   4.910
  514    HB   VAL  93           HB       VAL  93   3.723  -7.685   6.464
  515   HG11  VAL  93          HG11      VAL  93   6.123  -8.010   6.089
  516   HG12  VAL  93          HG12      VAL  93   5.828  -8.165   4.357
  517   HG13  VAL  93          HG13      VAL  93   5.500  -6.637   5.176
  518   HG21  VAL  93          HG21      VAL  93   2.134  -8.057   4.635
  519   HG22  VAL  93          HG22      VAL  93   3.177  -6.666   4.333
  520   HG23  VAL  93          HG23      VAL  93   3.492  -8.191   3.505
  521    H    ASP  94           HN       ASP  94   5.034 -11.069   3.902
  522    HA   ASP  94           HA       ASP  94   7.284 -11.984   5.450
  523    HB2  ASP  94           HB2      ASP  94   6.707 -12.202   2.480
  524    HB3  ASP  94           HB3      ASP  94   8.034 -13.000   3.313
  525    H    PHE  95           HN       PHE  95   8.585 -10.297   6.021
  526    HA   PHE  95           HA       PHE  95   8.886  -7.978   4.461
  527    HB2  PHE  95           HB2      PHE  95  10.530  -9.091   6.732
  528    HB3  PHE  95           HB3      PHE  95  10.877  -7.540   5.974
  529    HD1  PHE  95           HD1      PHE  95   9.303  -5.668   6.205
  530    HD2  PHE  95           HD2      PHE  95   8.687  -9.372   8.206
  531    HE1  PHE  95           HE1      PHE  95   7.670  -4.589   7.697
  532    HE2  PHE  95           HE2      PHE  95   7.054  -8.303   9.696
  533    HZ   PHE  95           HZ       PHE  95   6.546  -5.871   9.424
  534    H    GLN  96           HN       GLN  96  10.384 -11.047   4.354
  535    HA   GLN  96           HA       GLN  96  12.694 -10.183   2.856
  536    HB2  GLN  96           HB2      GLN  96  11.569 -12.926   3.396
  537    HB3  GLN  96           HB3      GLN  96  13.069 -12.627   2.530
  538    HG2  GLN  96           HG2      GLN  96  12.466 -11.967   5.402
  539    HG3  GLN  96           HG3      GLN  96  13.590 -13.184   4.798
  540   HE21  GLN  96          HE21      GLN  96  13.031  -9.797   5.308
  541   HE22  GLN  96          HE22      GLN  96  14.650  -9.271   5.015
  542    H    LYS  97           HN       LYS  97   9.487 -11.371   2.186
  543    HA   LYS  97           HA       LYS  97   9.863 -11.688  -0.621
  544    HB2  LYS  97           HB2      LYS  97   7.772 -12.022   1.295
  545    HB3  LYS  97           HB3      LYS  97   7.179 -10.931   0.054
  546    HG2  LYS  97           HG2      LYS  97   8.425 -13.583  -0.577
  547    HG3  LYS  97           HG3      LYS  97   6.701 -13.377  -0.266
  548    HD2  LYS  97           HD2      LYS  97   6.710 -11.633  -2.101
  549    HD3  LYS  97           HD3      LYS  97   8.341 -12.192  -2.492
  550    HE2  LYS  97           HE2      LYS  97   6.620 -13.263  -3.886
  551    HE3  LYS  97           HE3      LYS  97   7.518 -14.427  -2.913
  552    HZ1  LYS  97           HZ1      LYS  97   4.816 -13.355  -2.302
  553    HZ2  LYS  97           HZ2      LYS  97   5.675 -14.429  -1.318
  554    HZ3  LYS  97           HZ3      LYS  97   5.165 -14.913  -2.858
  555    H    PHE  98           HN       PHE  98   9.292  -9.169   1.617
  556    HA   PHE  98           HA       PHE  98   8.546  -7.209  -0.393
  557    HB2  PHE  98           HB2      PHE  98   8.531  -7.301   2.589
  558    HB3  PHE  98           HB3      PHE  98   8.474  -5.749   1.755
  559    HD1  PHE  98           HD1      PHE  98   6.538  -5.137   0.389
  560    HD2  PHE  98           HD2      PHE  98   6.720  -8.828   2.491
  561    HE1  PHE  98           HE1      PHE  98   4.119  -5.427   0.095
  562    HE2  PHE  98           HE2      PHE  98   4.313  -9.134   2.182
  563    HZ   PHE  98           HZ       PHE  98   3.008  -7.346   0.885
  564    H    CYS  99           HN       CYS  99  11.292  -8.471   0.069
  565    HA   CYS  99           HA       CYS  99  12.970  -6.270   0.786
  566    HB2  CYS  99           HB2      CYS  99  13.370  -8.989  -0.364
  567    HB3  CYS  99           HB3      CYS  99  14.683  -7.820  -0.453
  568    HG   CYS  99           HG       CYS  99  15.605  -8.691   1.790
  569    H    MET 100           HN       MET 100  11.947  -4.704  -0.613
  570    HA   MET 100           HA       MET 100  13.053  -4.844  -3.328
  571    HB2  MET 100           HB2      MET 100  10.499  -3.601  -2.347
  572    HB3  MET 100           HB3      MET 100  11.275  -3.023  -3.811
  573    HG2  MET 100           HG2      MET 100   9.742  -4.497  -4.640
  574    HG3  MET 100           HG3      MET 100  11.196  -5.502  -4.522
  575    HE1  MET 100           HE1      MET 100   7.755  -4.602  -2.900
  576    HE2  MET 100           HE2      MET 100   7.733  -5.646  -1.480
  577    HE3  MET 100           HE3      MET 100   8.874  -4.301  -1.571
  578    H    SER 101           HN       SER 101  14.464  -3.306  -3.854
  579    HA   SER 101           HA       SER 101  14.661  -0.862  -2.327
  580    HB2  SER 101           HB2      SER 101  15.703  -1.423  -5.126
  581    HB3  SER 101           HB3      SER 101  16.279  -0.192  -3.999
  582    HG   SER 101           HG       SER 101  16.370  -2.674  -2.907
  583    H    GLY 102           HN       GLY 102  13.911   1.225  -3.344
  584    HA2  GLY 102           HA1      GLY 102  11.252   1.152  -4.008
  585    HA3  GLY 102           HA2      GLY 102  12.313   2.476  -4.429
  586    H    ALA 103           HN       ALA 103  13.967   1.281  -6.339
  587    HA   ALA 103           HA       ALA 103  12.357   1.430  -8.625
  588    HB1  ALA 103           HB1      ALA 103  15.090   0.190  -8.326
  589    HB2  ALA 103           HB2      ALA 103  14.325   0.634  -9.852
  590    HB3  ALA 103           HB3      ALA 103  14.749   1.885  -8.684
  591    H    ALA 104           HN       ALA 104  13.490  -1.297  -6.743
  592    HA   ALA 104           HA       ALA 104  12.389  -3.320  -8.407
  593    HB1  ALA 104           HB1      ALA 104  12.745  -4.801  -6.500
  594    HB2  ALA 104           HB2      ALA 104  14.163  -3.788  -6.779
  595    HB3  ALA 104           HB3      ALA 104  13.050  -3.405  -5.463
  596    H    LEU 105           HN       LEU 105  11.256  -1.742  -5.362
  597    HA   LEU 105           HA       LEU 105   8.830  -2.807  -5.022
  598    HB2  LEU 105           HB2      LEU 105   9.791  -1.022  -3.627
  599    HB3  LEU 105           HB3      LEU 105   9.486   0.148  -4.907
  600    HG   LEU 105           HG       LEU 105   7.063  -0.404  -4.732
  601   HD11  LEU 105          HD11      LEU 105   6.365  -1.467  -2.562
  602   HD12  LEU 105          HD12      LEU 105   7.079  -2.556  -3.759
  603   HD13  LEU 105          HD13      LEU 105   8.037  -1.998  -2.386
  604   HD21  LEU 105          HD21      LEU 105   8.329   0.613  -2.209
  605   HD22  LEU 105          HD22      LEU 105   8.028   1.562  -3.666
  606   HD23  LEU 105          HD23      LEU 105   6.673   0.903  -2.750
  607    H    CYS 106           HN       CYS 106   9.552  -0.149  -7.137
  608    HA   CYS 106           HA       CYS 106   7.078   0.046  -8.379
  609    HB2  CYS 106           HB2      CYS 106   8.649   1.830  -8.530
  610    HB3  CYS 106           HB3      CYS 106   9.855   0.778  -9.264
  611    HG   CYS 106           HG       CYS 106   8.895   0.780 -11.743
  612    H    ALA 107           HN       ALA 107  10.048  -1.541  -9.571
  613    HA   ALA 107           HA       ALA 107   9.160  -2.318 -12.028
  614    HB1  ALA 107           HB1      ALA 107  11.484  -2.392 -11.264
  615    HB2  ALA 107           HB2      ALA 107  11.112  -3.826 -10.310
  616    HB3  ALA 107           HB3      ALA 107  10.989  -3.880 -12.070
  617    H    LEU 108           HN       LEU 108   8.407  -3.948  -8.992
  618    HA   LEU 108           HA       LEU 108   7.879  -6.463 -10.066
  619    HB2  LEU 108           HB2      LEU 108   6.247  -6.665  -8.062
  620    HB3  LEU 108           HB3      LEU 108   7.967  -6.555  -7.788
  621    HG   LEU 108           HG       LEU 108   7.620  -4.090  -7.306
  622   HD11  LEU 108          HD11      LEU 108   4.720  -4.937  -7.337
  623   HD12  LEU 108          HD12      LEU 108   5.321  -3.473  -6.543
  624   HD13  LEU 108          HD13      LEU 108   5.480  -3.662  -8.289
  625   HD21  LEU 108          HD21      LEU 108   8.020  -5.739  -5.582
  626   HD22  LEU 108          HD22      LEU 108   6.857  -4.531  -5.032
  627   HD23  LEU 108          HD23      LEU 108   6.299  -6.127  -5.532
  628    H    GLY 109           HN       GLY 109   5.771  -3.639  -9.909
  629    HA2  GLY 109           HA1      GLY 109   3.786  -3.229 -11.007
  630    HA3  GLY 109           HA2      GLY 109   4.022  -4.731 -11.894
  631    H    LYS 110           HN       LYS 110   1.524  -3.939 -10.979
  632    HA   LYS 110           HA       LYS 110   0.666  -4.820  -8.542
  633    HB2  LYS 110           HB2      LYS 110  -1.256  -4.128  -9.438
  634    HB3  LYS 110           HB3      LYS 110  -0.547  -4.171 -11.043
  635    HG2  LYS 110           HG2      LYS 110  -2.462  -5.494 -11.193
  636    HG3  LYS 110           HG3      LYS 110  -1.141  -6.647 -11.053
  637    HD2  LYS 110           HD2      LYS 110  -1.695  -6.476  -8.502
  638    HD3  LYS 110           HD3      LYS 110  -3.265  -5.951  -9.109
  639    HE2  LYS 110           HE2      LYS 110  -1.862  -8.521  -9.857
  640    HE3  LYS 110           HE3      LYS 110  -3.185  -8.378  -8.702
  641    HZ1  LYS 110           HZ1      LYS 110  -4.043  -9.076 -10.810
  642    HZ2  LYS 110           HZ2      LYS 110  -3.305  -7.778 -11.611
  643    HZ3  LYS 110           HZ3      LYS 110  -4.574  -7.489 -10.520
  644    H    GLU 111           HN       GLU 111   0.882  -6.882 -11.476
  645    HA   GLU 111           HA       GLU 111  -0.151  -9.178 -10.390
  646    HB2  GLU 111           HB2      GLU 111   1.129 -10.425 -12.108
  647    HB3  GLU 111           HB3      GLU 111   0.261  -9.038 -12.742
  648    HG2  GLU 111           HG2      GLU 111   2.292  -7.764 -12.883
  649    HG3  GLU 111           HG3      GLU 111   3.197  -9.048 -12.081
  650    H    CYS 112           HN       CYS 112   3.206  -8.113 -10.222
  651    HA   CYS 112           HA       CYS 112   4.061 -10.542  -8.974
  652    HB2  CYS 112           HB2      CYS 112   5.611  -9.210 -10.338
  653    HB3  CYS 112           HB3      CYS 112   5.490  -7.887  -9.185
  654    HG   CYS 112           HG       CYS 112   6.478 -10.831  -7.882
  655    H    PHE 113           HN       PHE 113   3.568  -7.193  -7.832
  656    HA   PHE 113           HA       PHE 113   4.244  -7.540  -5.198
  657    HB2  PHE 113           HB2      PHE 113   3.517  -5.399  -6.490
  658    HB3  PHE 113           HB3      PHE 113   1.900  -5.806  -5.930
  659    HD1  PHE 113           HD2      PHE 113   1.672  -6.264  -3.390
  660    HD2  PHE 113           HD1      PHE 113   4.904  -4.068  -5.128
  661    HE1  PHE 113           HE2      PHE 113   2.167  -5.267  -1.211
  662    HE2  PHE 113           HE1      PHE 113   5.391  -3.091  -2.934
  663    HZ   PHE 113           HZ       PHE 113   4.038  -3.698  -0.978
  664    H    LEU 114           HN       LEU 114   1.042  -8.195  -6.651
  665    HA   LEU 114           HA       LEU 114  -0.047  -8.702  -4.036
  666    HB2  LEU 114           HB2      LEU 114  -1.439  -9.613  -6.504
  667    HB3  LEU 114           HB3      LEU 114  -2.109  -9.048  -4.987
  668    HG   LEU 114           HG       LEU 114  -1.165  -7.509  -7.338
  669   HD11  LEU 114          HD11      LEU 114  -3.436  -7.317  -5.383
  670   HD12  LEU 114          HD12      LEU 114  -3.153  -6.161  -6.686
  671   HD13  LEU 114          HD13      LEU 114  -3.504  -7.847  -7.062
  672   HD21  LEU 114          HD21      LEU 114  -0.826  -5.493  -6.163
  673   HD22  LEU 114          HD22      LEU 114  -1.282  -6.232  -4.625
  674   HD23  LEU 114          HD23      LEU 114   0.219  -6.704  -5.417
  675    H    GLU 115           HN       GLU 115   1.428 -10.576  -6.518
  676    HA   GLU 115           HA       GLU 115   0.818 -13.092  -5.307
  677    HB2  GLU 115           HB2      GLU 115   2.892 -12.206  -7.304
  678    HB3  GLU 115           HB3      GLU 115   2.797 -13.861  -6.719
  679    HG2  GLU 115           HG2      GLU 115   0.541 -12.418  -8.090
  680    HG3  GLU 115           HG3      GLU 115   1.680 -13.495  -8.899
  681    H    LEU 116           HN       LEU 116   2.780 -10.487  -4.623
  682    HA   LEU 116           HA       LEU 116   4.989 -11.916  -3.430
  683    HB2  LEU 116           HB2      LEU 116   5.844 -10.098  -4.441
  684    HB3  LEU 116           HB3      LEU 116   4.346  -9.195  -4.329
  685    HG   LEU 116           HG       LEU 116   5.991  -9.524  -1.870
  686   HD11  LEU 116          HD11      LEU 116   6.575  -7.592  -4.098
  687   HD12  LEU 116          HD12      LEU 116   7.293  -7.541  -2.488
  688   HD13  LEU 116          HD13      LEU 116   7.624  -8.903  -3.560
  689   HD21  LEU 116          HD21      LEU 116   4.333  -7.292  -2.991
  690   HD22  LEU 116          HD22      LEU 116   3.825  -8.435  -1.748
  691   HD23  LEU 116          HD23      LEU 116   5.131  -7.296  -1.418
  692    H    ALA 117           HN       ALA 117   2.043 -10.389  -2.477
  693    HA   ALA 117           HA       ALA 117   2.604 -11.180   0.309
  694    HB1  ALA 117           HB1      ALA 117   1.286  -9.250   1.095
  695    HB2  ALA 117           HB2      ALA 117   2.716  -8.741   0.195
  696    HB3  ALA 117           HB3      ALA 117   1.127  -8.691  -0.573
  697    HA   PRO 118           HA       PRO 118  -1.640 -12.961   0.402
  698    HB2  PRO 118           HB2      PRO 118  -2.426 -10.602   2.057
  699    HB3  PRO 118           HB3      PRO 118  -2.800 -12.313   2.299
  700    HG2  PRO 118           HG2      PRO 118  -0.929 -11.105   3.763
  701    HG3  PRO 118           HG3      PRO 118  -0.718 -12.775   3.207
  702    HD2  PRO 118           HD2      PRO 118   0.583 -10.281   2.253
  703    HD3  PRO 118           HD3      PRO 118   1.202 -11.945   2.269
  704    H    ASP 119           HN       ASP 119  -3.326 -12.678  -0.971
  705    HA   ASP 119           HA       ASP 119  -3.076 -10.864  -3.028
  706    HB2  ASP 119           HB2      ASP 119  -5.056 -11.763  -3.957
  707    HB3  ASP 119           HB3      ASP 119  -4.279 -13.071  -3.076
  708    H    PHE 120           HN       PHE 120  -4.699 -10.270  -0.001
  709    HA   PHE 120           HA       PHE 120  -6.149  -8.016  -1.135
  710    HB2  PHE 120           HB2      PHE 120  -7.326  -9.377   0.547
  711    HB3  PHE 120           HB3      PHE 120  -6.053  -9.016   1.708
  712    HD1  PHE 120           HD1      PHE 120  -7.581  -6.612  -0.667
  713    HD2  PHE 120           HD2      PHE 120  -7.298  -7.947   3.370
  714    HE1  PHE 120           HE1      PHE 120  -8.812  -4.618   0.082
  715    HE2  PHE 120           HE2      PHE 120  -8.527  -5.955   4.119
  716    HZ   PHE 120           HZ       PHE 120  -9.284  -4.287   2.475
  717    H    VAL 121           HN       VAL 121  -3.497  -8.847   0.901
  718    HA   VAL 121           HA       VAL 121  -2.937  -6.235   1.854
  719    HB   VAL 121           HB       VAL 121  -1.267  -8.743   1.806
  720   HG11  VAL 121          HG11      VAL 121  -0.946  -6.207   3.409
  721   HG12  VAL 121          HG12      VAL 121   0.003  -7.679   3.622
  722   HG13  VAL 121          HG13      VAL 121   0.117  -6.763   2.118
  723   HG21  VAL 121          HG21      VAL 121  -3.481  -8.875   2.902
  724   HG22  VAL 121          HG22      VAL 121  -2.122  -9.110   4.020
  725   HG23  VAL 121          HG23      VAL 121  -2.980  -7.566   3.978
  726    H    GLY 122           HN       GLY 122  -1.582  -8.330  -0.673
  727    HA2  GLY 122           HA1      GLY 122   0.439  -6.664  -1.580
  728    HA3  GLY 122           HA2      GLY 122  -0.485  -7.777  -2.584
  729    H    ASP 123           HN       ASP 123  -3.029  -6.667  -2.392
  730    HA   ASP 123           HA       ASP 123  -2.768  -4.530  -4.274
  731    HB2  ASP 123           HB2      ASP 123  -4.519  -6.099  -4.664
  732    HB3  ASP 123           HB3      ASP 123  -5.145  -5.916  -3.026
  733    H    ILE 124           HN       ILE 124  -3.836  -4.850  -0.916
  734    HA   ILE 124           HA       ILE 124  -4.428  -2.238  -0.307
  735    HB   ILE 124           HB       ILE 124  -3.169  -4.459   1.253
  736   HG12  ILE 124          HG12      ILE 124  -5.683  -2.824   1.645
  737   HG13  ILE 124          HG13      ILE 124  -5.602  -4.384   0.832
  738   HG21  ILE 124          HG21      ILE 124  -3.624  -1.695   2.395
  739   HG22  ILE 124          HG22      ILE 124  -3.061  -3.117   3.270
  740   HG23  ILE 124          HG23      ILE 124  -2.043  -2.384   2.027
  741   HD11  ILE 124          HD11      ILE 124  -4.909  -5.457   2.877
  742   HD12  ILE 124          HD12      ILE 124  -4.875  -3.900   3.711
  743   HD13  ILE 124          HD13      ILE 124  -6.406  -4.561   3.135
  744    H    LEU 125           HN       LEU 125  -1.216  -3.688   0.112
  745    HA   LEU 125           HA       LEU 125   0.124  -1.271   0.411
  746    HB2  LEU 125           HB2      LEU 125   0.850  -4.083  -0.145
  747    HB3  LEU 125           HB3      LEU 125   2.073  -2.861  -0.478
  748    HG   LEU 125           HG       LEU 125   0.651  -3.104   2.161
  749   HD11  LEU 125          HD11      LEU 125   1.924  -5.141   1.727
  750   HD12  LEU 125          HD12      LEU 125   3.350  -4.175   1.351
  751   HD13  LEU 125          HD13      LEU 125   2.685  -4.168   2.986
  752   HD21  LEU 125          HD21      LEU 125   1.568  -0.914   1.656
  753   HD22  LEU 125          HD22      LEU 125   2.516  -1.704   2.918
  754   HD23  LEU 125          HD23      LEU 125   3.128  -1.641   1.264
  755    H    TRP 126           HN       TRP 126  -0.623  -3.150  -2.488
  756    HA   TRP 126           HA       TRP 126   0.986  -1.656  -4.251
  757    HB2  TRP 126           HB2      TRP 126   0.164  -3.769  -5.022
  758    HB3  TRP 126           HB3      TRP 126  -1.511  -3.278  -4.768
  759    HD1  TRP 126           HD1      TRP 126  -2.718  -2.388  -6.805
  760    HE1  TRP 126           HE1      TRP 126  -2.016  -1.417  -9.102
  761    HE3  TRP 126           HE3      TRP 126   2.340  -2.419  -6.178
  762    HZ2  TRP 126           HZ2      TRP 126   0.394  -0.754 -10.442
  763    HZ3  TRP 126           HZ3      TRP 126   3.777  -1.606  -8.003
  764    HH2  TRP 126           HH2      TRP 126   2.817  -0.794 -10.094
  765    H    GLU 127           HN       GLU 127  -2.388  -1.222  -3.194
  766    HA   GLU 127           HA       GLU 127  -3.007   0.971  -4.779
  767    HB2  GLU 127           HB2      GLU 127  -3.977  -0.074  -2.212
  768    HB3  GLU 127           HB3      GLU 127  -4.203   1.658  -2.425
  769    HG2  GLU 127           HG2      GLU 127  -5.100  -0.433  -4.377
  770    HG3  GLU 127           HG3      GLU 127  -6.125   0.305  -3.147
  771    H    HIS 128           HN       HIS 128  -1.683   1.052  -1.448
  772    HA   HIS 128           HA       HIS 128  -1.211   3.830  -1.599
  773    HB2  HIS 128           HB2      HIS 128  -1.161   2.367   0.524
  774    HB3  HIS 128           HB3      HIS 128   0.514   2.021   0.086
  775    HD1  HIS 128           HD1      HIS 128   0.810   3.348   2.519
  776    HD2  HIS 128           HD2      HIS 128  -0.236   5.597  -0.819
  777    HE1  HIS 128           HE1      HIS 128   1.300   5.739   3.134
  778    HE2  HIS 128           HE2      HIS 128   0.472   7.094   1.173
  779    H    LEU 129           HN       LEU 129   0.753   1.098  -2.666
  780    HA   LEU 129           HA       LEU 129   3.106   2.451  -3.242
  781    HB2  LEU 129           HB2      LEU 129   2.807   0.014  -3.443
  782    HB3  LEU 129           HB3      LEU 129   1.713   0.248  -4.787
  783    HG   LEU 129           HG       LEU 129   3.418   0.678  -6.283
  784   HD11  LEU 129          HD11      LEU 129   4.317   2.566  -4.962
  785   HD12  LEU 129          HD12      LEU 129   5.216   1.408  -3.980
  786   HD13  LEU 129          HD13      LEU 129   5.576   1.571  -5.701
  787   HD21  LEU 129          HD21      LEU 129   4.858  -0.938  -4.186
  788   HD22  LEU 129          HD22      LEU 129   3.659  -1.593  -5.305
  789   HD23  LEU 129          HD23      LEU 129   5.170  -0.925  -5.922
  790    H    GLU 130           HN       GLU 130   0.188   1.976  -5.131
  791    HA   GLU 130           HA       GLU 130   0.961   3.529  -7.305
  792    HB2  GLU 130           HB2      GLU 130  -0.894   1.854  -7.298
  793    HB3  GLU 130           HB3      GLU 130  -1.843   2.949  -6.305
  794    HG2  GLU 130           HG2      GLU 130  -2.598   3.121  -8.552
  795    HG3  GLU 130           HG3      GLU 130  -1.742   4.609  -8.152
  796    H    ILE 131           HN       ILE 131  -0.897   4.232  -4.422
  797    HA   ILE 131           HA       ILE 131  -1.623   6.858  -4.950
  798    HB   ILE 131           HB       ILE 131  -1.359   5.230  -2.482
  799   HG12  ILE 131          HG12      ILE 131  -3.732   5.676  -2.264
  800   HG13  ILE 131          HG13      ILE 131  -3.667   6.895  -3.531
  801   HG21  ILE 131          HG21      ILE 131  -0.529   7.310  -1.658
  802   HG22  ILE 131          HG22      ILE 131  -1.770   8.211  -2.538
  803   HG23  ILE 131          HG23      ILE 131  -2.227   7.193  -1.170
  804   HD11  ILE 131          HD11      ILE 131  -3.131   5.081  -5.151
  805   HD12  ILE 131          HD12      ILE 131  -3.395   3.911  -3.851
  806   HD13  ILE 131          HD13      ILE 131  -4.719   4.943  -4.396
  807    H    LEU 132           HN       LEU 132   1.299   5.709  -3.162
  808    HA   LEU 132           HA       LEU 132   2.322   8.190  -2.426
  809    HB2  LEU 132           HB2      LEU 132   4.069   5.981  -3.476
  810    HB3  LEU 132           HB3      LEU 132   4.502   7.229  -2.329
  811    HG   LEU 132           HG       LEU 132   2.316   5.435  -1.496
  812   HD11  LEU 132          HD11      LEU 132   3.802   3.918  -2.689
  813   HD12  LEU 132          HD12      LEU 132   5.181   4.526  -1.774
  814   HD13  LEU 132          HD13      LEU 132   3.895   3.645  -0.950
  815   HD21  LEU 132          HD21      LEU 132   3.578   5.519   0.627
  816   HD22  LEU 132          HD22      LEU 132   4.838   6.464  -0.168
  817   HD23  LEU 132          HD23      LEU 132   3.216   7.138   0.012
  818    H    GLN 133           HN       GLN 133   2.392   6.548  -5.468
  819    HA   GLN 133           HA       GLN 133   4.255   8.475  -6.592
  820    HB2  GLN 133           HB2      GLN 133   4.710   6.960  -8.231
  821    HB3  GLN 133           HB3      GLN 133   4.168   5.856  -6.983
  822    HG2  GLN 133           HG2      GLN 133   1.837   6.238  -8.174
  823    HG3  GLN 133           HG3      GLN 133   2.886   6.616  -9.540
  824   HE21  GLN 133          HE21      GLN 133   3.401   4.293  -6.930
  825   HE22  GLN 133          HE22      GLN 133   3.403   2.886  -7.934
  826    H    LYS 134           HN       LYS 134   0.797   7.714  -6.594
  827    HA   LYS 134           HA       LYS 134  -0.058   9.155  -8.722
  828    HB2  LYS 134           HB2      LYS 134  -2.015   8.486  -7.891
  829    HB3  LYS 134           HB3      LYS 134  -1.169   7.903  -6.464
  830    HG2  LYS 134           HG2      LYS 134  -1.586  10.713  -6.183
  831    HG3  LYS 134           HG3      LYS 134  -3.112   9.953  -6.648
  832    HD2  LYS 134           HD2      LYS 134  -2.791   8.298  -4.843
  833    HD3  LYS 134           HD3      LYS 134  -1.314   9.135  -4.365
  834    HE2  LYS 134           HE2      LYS 134  -4.084  10.337  -4.356
  835    HE3  LYS 134           HE3      LYS 134  -3.239   9.703  -2.945
  836    HZ1  LYS 134           HZ1      LYS 134  -1.528  11.364  -3.266
  837    HZ2  LYS 134           HZ2      LYS 134  -3.041  12.093  -3.073
  838    HZ3  LYS 134           HZ3      LYS 134  -2.340  11.992  -4.617
  839    H    GLU 135           HN       GLU 135   1.134  10.412  -5.652
  840    HA   GLU 135           HA       GLU 135   0.062  12.989  -5.899
  841    HB2  GLU 135           HB2      GLU 135   2.435  11.891  -4.441
  842    HB3  GLU 135           HB3      GLU 135   2.065  13.611  -4.411
  843    HG2  GLU 135           HG2      GLU 135  -0.199  13.044  -3.562
  844    HG3  GLU 135           HG3      GLU 135   0.316  11.361  -3.457
  845    H    ASP 136           HN       ASP 136   2.565  11.470  -7.654
  846    HA   ASP 136           HA       ASP 136   3.043  14.008  -9.031
  847    HB2  ASP 136           HB2      ASP 136   4.955  13.549  -7.452
  848    HB3  ASP 136           HB3      ASP 136   5.278  12.077  -8.360
  849    H    VAL 137           HN       VAL 137   1.361  11.695  -9.561
  850    HA   VAL 137           HA       VAL 137   2.731  10.215 -11.625
  851    HB   VAL 137           HB       VAL 137   1.113   9.066 -10.150
  852   HG11  VAL 137          HG11      VAL 137  -1.002  10.650 -11.596
  853   HG12  VAL 137          HG12      VAL 137  -1.283   9.308 -10.483
  854   HG13  VAL 137          HG13      VAL 137  -0.563  10.806  -9.892
  855   HG21  VAL 137          HG21      VAL 137  -0.046   7.820 -11.941
  856   HG22  VAL 137          HG22      VAL 137   0.456   9.060 -13.090
  857   HG23  VAL 137          HG23      VAL 137   1.668   8.077 -12.266
  858    H    LYS 138           HN       LYS 138   3.073  11.122 -13.476
  859    HA   LYS 138           HA       LYS 138   0.881  12.279 -14.963
  860    HB2  LYS 138           HB2      LYS 138   1.823  14.225 -13.764
  861    HB3  LYS 138           HB3      LYS 138   3.410  13.861 -14.427
  862    HG2  LYS 138           HG2      LYS 138   2.511  14.216 -16.694
  863    HG3  LYS 138           HG3      LYS 138   0.961  14.665 -15.982
  864    HD2  LYS 138           HD2      LYS 138   2.041  16.520 -14.806
  865    HD3  LYS 138           HD3      LYS 138   3.589  16.070 -15.523
  866    HE2  LYS 138           HE2      LYS 138   2.618  16.442 -17.761
  867    HE3  LYS 138           HE3      LYS 138   1.121  16.976 -16.999
  868    HZ1  LYS 138           HZ1      LYS 138   3.777  18.259 -16.631
  869    HZ2  LYS 138           HZ2      LYS 138   2.303  18.794 -15.978
  870    HZ3  LYS 138           HZ3      LYS 138   2.549  18.829 -17.652
  Start of MODEL   24
    1    H1   MET  29           H1       MET  29 -28.126 -10.734 -15.921
    2    H2   MET  29           H2       MET  29 -27.316 -12.001 -16.705
    3    H3   MET  29           H3       MET  29 -26.722 -10.415 -16.813
    4    HA   MET  29           HA       MET  29 -26.157 -10.358 -14.536
    5    HB2  MET  29           HB2      MET  29 -26.493 -12.322 -13.085
    6    HB3  MET  29           HB3      MET  29 -28.013 -11.641 -13.646
    7    HG2  MET  29           HG2      MET  29 -28.202 -13.402 -15.312
    8    HG3  MET  29           HG3      MET  29 -26.660 -14.074 -14.783
    9    HE1  MET  29           HE1      MET  29 -27.450 -15.343 -11.193
   10    HE2  MET  29           HE2      MET  29 -26.248 -15.226 -12.475
   11    HE3  MET  29           HE3      MET  29 -26.778 -13.772 -11.629
   12    H    GLU  30           HN       GLU  30 -25.558 -12.089 -17.256
   13    HA   GLU  30           HA       GLU  30 -23.676 -12.912 -18.198
   14    HB2  GLU  30           HB2      GLU  30 -22.302 -11.978 -15.671
   15    HB3  GLU  30           HB3      GLU  30 -21.497 -12.468 -17.155
   16    HG2  GLU  30           HG2      GLU  30 -23.307 -10.092 -16.785
   17    HG3  GLU  30           HG3      GLU  30 -21.559 -10.065 -17.009
   18    H    CYS  31           HN       CYS  31 -21.790 -14.542 -17.727
   19    HA   CYS  31           HA       CYS  31 -22.611 -16.492 -15.694
   20    HB2  CYS  31           HB2      CYS  31 -22.137 -17.157 -18.608
   21    HB3  CYS  31           HB3      CYS  31 -22.368 -18.339 -17.325
   22    HG   CYS  31           HG       CYS  31 -24.860 -16.196 -17.280
   23    H    ALA  32           HN       ALA  32 -20.144 -15.039 -17.647
   24    HA   ALA  32           HA       ALA  32 -17.997 -16.763 -17.027
   25    HB1  ALA  32           HB1      ALA  32 -16.551 -14.898 -17.633
   26    HB2  ALA  32           HB2      ALA  32 -17.881 -15.040 -18.782
   27    HB3  ALA  32           HB3      ALA  32 -17.918 -13.789 -17.541
   28    H    ASP  33           HN       ASP  33 -19.144 -13.791 -15.502
   29    HA   ASP  33           HA       ASP  33 -18.372 -14.837 -12.905
   30    HB2  ASP  33           HB2      ASP  33 -16.401 -13.535 -13.470
   31    HB3  ASP  33           HB3      ASP  33 -17.397 -12.168 -13.957
   32    H    VAL  34           HN       VAL  34 -20.102 -14.620 -11.653
   33    HA   VAL  34           HA       VAL  34 -22.293 -12.914 -12.347
   34    HB   VAL  34           HB       VAL  34 -21.792 -14.392  -9.749
   35   HG11  VAL  34          HG11      VAL  34 -24.222 -14.215  -9.438
   36   HG12  VAL  34          HG12      VAL  34 -23.447 -12.632  -9.505
   37   HG13  VAL  34          HG13      VAL  34 -24.329 -13.241 -10.905
   38   HG21  VAL  34          HG21      VAL  34 -21.819 -15.904 -11.680
   39   HG22  VAL  34          HG22      VAL  34 -23.224 -16.143 -10.643
   40   HG23  VAL  34          HG23      VAL  34 -23.387 -15.257 -12.158
   41    HA   PRO  35           HA       PRO  35 -20.118  -9.374 -10.712
   42    HB2  PRO  35           HB2      PRO  35 -22.750  -8.072 -11.165
   43    HB3  PRO  35           HB3      PRO  35 -21.145  -7.601 -11.742
   44    HG2  PRO  35           HG2      PRO  35 -22.903  -8.683 -13.410
   45    HG3  PRO  35           HG3      PRO  35 -21.186  -9.128 -13.489
   46    HD2  PRO  35           HD2      PRO  35 -23.477 -10.636 -12.275
   47    HD3  PRO  35           HD3      PRO  35 -22.133 -11.240 -13.269
   48    H    LEU  36           HN       LEU  36 -19.798  -9.120  -8.667
   49    HA   LEU  36           HA       LEU  36 -22.094  -8.778  -6.860
   50    HB2  LEU  36           HB2      LEU  36 -19.611 -10.415  -6.334
   51    HB3  LEU  36           HB3      LEU  36 -20.779  -9.978  -5.104
   52    HG   LEU  36           HG       LEU  36 -21.378 -11.678  -7.528
   53   HD11  LEU  36          HD11      LEU  36 -21.009 -12.464  -4.638
   54   HD12  LEU  36          HD12      LEU  36 -21.482 -13.536  -5.958
   55   HD13  LEU  36          HD13      LEU  36 -19.878 -12.800  -5.951
   56   HD21  LEU  36          HD21      LEU  36 -23.309 -10.412  -6.733
   57   HD22  LEU  36          HD22      LEU  36 -23.490 -12.134  -6.392
   58   HD23  LEU  36          HD23      LEU  36 -23.042 -11.021  -5.099
   59    H    LEU  37           HN       LEU  37 -21.543  -6.510  -7.370
   60    HA   LEU  37           HA       LEU  37 -19.098  -5.445  -6.304
   61    HB2  LEU  37           HB2      LEU  37 -20.746  -4.515  -8.170
   62    HB3  LEU  37           HB3      LEU  37 -21.502  -3.739  -6.793
   63    HG   LEU  37           HG       LEU  37 -19.933  -2.237  -7.924
   64   HD11  LEU  37          HD11      LEU  37 -20.276  -1.957  -5.529
   65   HD12  LEU  37          HD12      LEU  37 -18.962  -3.085  -5.201
   66   HD13  LEU  37          HD13      LEU  37 -18.626  -1.544  -5.988
   67   HD21  LEU  37          HD21      LEU  37 -17.531  -2.680  -7.877
   68   HD22  LEU  37          HD22      LEU  37 -17.835  -4.268  -7.176
   69   HD23  LEU  37          HD23      LEU  37 -18.393  -3.905  -8.809
   70    H    THR  38           HN       THR  38 -19.019  -6.103  -4.194
   71    HA   THR  38           HA       THR  38 -20.919  -4.816  -2.368
   72    HB   THR  38           HB       THR  38 -21.626  -7.170  -2.664
   73    HG1  THR  38           HG1      THR  38 -22.182  -6.587  -0.683
   74   HG21  THR  38          HG21      THR  38 -20.236  -8.995  -1.818
   75   HG22  THR  38          HG22      THR  38 -18.922  -7.861  -1.501
   76   HG23  THR  38          HG23      THR  38 -19.443  -8.167  -3.158
   77    HA   PRO  39           HA       PRO  39 -17.247  -3.523  -0.197
   78    HB2  PRO  39           HB2      PRO  39 -19.234  -3.451   2.020
   79    HB3  PRO  39           HB3      PRO  39 -18.104  -2.203   1.477
   80    HG2  PRO  39           HG2      PRO  39 -20.699  -2.008   0.925
   81    HG3  PRO  39           HG3      PRO  39 -19.476  -1.536  -0.270
   82    HD2  PRO  39           HD2      PRO  39 -21.151  -4.006  -0.153
   83    HD3  PRO  39           HD3      PRO  39 -20.637  -3.049  -1.557
   84    H    SER  40           HN       SER  40 -16.236  -5.587  -0.213
   85    HA   SER  40           HA       SER  40 -16.547  -6.934   2.372
   86    HB2  SER  40           HB2      SER  40 -17.567  -8.249   0.422
   87    HB3  SER  40           HB3      SER  40 -15.915  -8.452  -0.160
   88    HG   SER  40           HG       SER  40 -16.949  -9.273   2.356
   89    H    SER  41           HN       SER  41 -14.444  -6.957  -0.520
   90    HA   SER  41           HA       SER  41 -12.139  -7.189   1.227
   91    HB2  SER  41           HB2      SER  41 -12.131  -7.068  -1.787
   92    HB3  SER  41           HB3      SER  41 -10.902  -7.754  -0.723
   93    HG   SER  41           HG       SER  41 -11.999  -9.546  -0.613
   94    H    LYS  42           HN       LYS  42 -12.974  -5.070  -1.572
   95    HA   LYS  42           HA       LYS  42 -10.651  -3.496  -0.775
   96    HB2  LYS  42           HB2      LYS  42 -10.899  -4.344  -3.140
   97    HB3  LYS  42           HB3      LYS  42 -12.160  -3.128  -3.345
   98    HG2  LYS  42           HG2      LYS  42 -10.624  -1.358  -2.869
   99    HG3  LYS  42           HG3      LYS  42  -9.352  -2.505  -2.427
  100    HD2  LYS  42           HD2      LYS  42  -9.400  -3.335  -4.783
  101    HD3  LYS  42           HD3      LYS  42 -10.553  -2.053  -5.169
  102    HE2  LYS  42           HE2      LYS  42  -8.891  -0.385  -4.393
  103    HE3  LYS  42           HE3      LYS  42  -7.739  -1.695  -4.137
  104    HZ1  LYS  42           HZ1      LYS  42  -8.950  -0.904  -6.731
  105    HZ2  LYS  42           HZ2      LYS  42  -7.900  -2.218  -6.508
  106    HZ3  LYS  42           HZ3      LYS  42  -7.344  -0.640  -6.250
  107    H    GLU  43           HN       GLU  43 -14.086  -3.191  -0.723
  108    HA   GLU  43           HA       GLU  43 -14.234  -0.371  -0.915
  109    HB2  GLU  43           HB2      GLU  43 -16.221  -1.815  -1.094
  110    HB3  GLU  43           HB3      GLU  43 -16.044  -2.275   0.591
  111    HG2  GLU  43           HG2      GLU  43 -17.792  -0.632   0.335
  112    HG3  GLU  43           HG3      GLU  43 -16.455   0.035   1.268
  113    H    MET  44           HN       MET  44 -13.446  -2.580   1.661
  114    HA   MET  44           HA       MET  44 -13.540  -0.752   3.791
  115    HB2  MET  44           HB2      MET  44 -12.078  -3.360   3.409
  116    HB3  MET  44           HB3      MET  44 -12.003  -2.446   4.913
  117    HG2  MET  44           HG2      MET  44 -13.672  -4.213   5.041
  118    HG3  MET  44           HG3      MET  44 -14.427  -2.624   5.150
  119    HE1  MET  44           HE1      MET  44 -16.349  -4.993   4.627
  120    HE2  MET  44           HE2      MET  44 -16.836  -3.297   4.573
  121    HE3  MET  44           HE3      MET  44 -17.288  -4.384   3.257
  122    H    MET  45           HN       MET  45 -10.708  -1.923   1.894
  123    HA   MET  45           HA       MET  45  -8.937  -0.031   3.015
  124    HB2  MET  45           HB2      MET  45  -7.461  -0.439   1.112
  125    HB3  MET  45           HB3      MET  45  -8.080  -1.957   1.774
  126    HG2  MET  45           HG2      MET  45  -9.816  -1.906  -0.035
  127    HG3  MET  45           HG3      MET  45  -8.941  -0.534  -0.725
  128    HE1  MET  45           HE1      MET  45  -5.912  -1.252  -0.337
  129    HE2  MET  45           HE2      MET  45  -5.624  -2.032  -1.889
  130    HE3  MET  45           HE3      MET  45  -6.675  -0.618  -1.789
  131    H    SER  46           HN       SER  46 -11.179   0.198   0.308
  132    HA   SER  46           HA       SER  46 -10.280   2.592  -0.749
  133    HB2  SER  46           HB2      SER  46 -12.126   1.098  -1.628
  134    HB3  SER  46           HB3      SER  46 -13.198   1.870  -0.459
  135    HG   SER  46           HG       SER  46 -13.464   3.186  -2.118
  136    H    GLN  47           HN       GLN  47 -12.570   2.104   1.957
  137    HA   GLN  47           HA       GLN  47 -12.512   4.910   2.555
  138    HB2  GLN  47           HB2      GLN  47 -13.859   4.418   4.503
  139    HB3  GLN  47           HB3      GLN  47 -14.507   3.598   3.096
  140    HG2  GLN  47           HG2      GLN  47 -13.522   1.500   3.861
  141    HG3  GLN  47           HG3      GLN  47 -12.866   2.328   5.275
  142   HE21  GLN  47          HE21      GLN  47 -14.723   0.114   5.181
  143   HE22  GLN  47          HE22      GLN  47 -16.168   0.639   5.973
  144    H    ALA  48           HN       ALA  48 -11.028   2.023   4.060
  145    HA   ALA  48           HA       ALA  48  -9.830   3.496   6.168
  146    HB1  ALA  48           HB1      ALA  48 -10.291   1.080   6.305
  147    HB2  ALA  48           HB2      ALA  48  -9.013   0.791   5.123
  148    HB3  ALA  48           HB3      ALA  48  -8.618   1.478   6.698
  149    H    LEU  49           HN       LEU  49  -8.375   2.124   3.161
  150    HA   LEU  49           HA       LEU  49  -5.753   2.951   3.914
  151    HB2  LEU  49           HB2      LEU  49  -7.001   1.428   1.787
  152    HB3  LEU  49           HB3      LEU  49  -5.840   2.578   1.146
  153    HG   LEU  49           HG       LEU  49  -5.356   0.283   2.998
  154   HD11  LEU  49          HD11      LEU  49  -5.363  -0.127   0.622
  155   HD12  LEU  49          HD12      LEU  49  -4.194   1.167   0.374
  156   HD13  LEU  49          HD13      LEU  49  -3.726  -0.278   1.266
  157   HD21  LEU  49          HD21      LEU  49  -3.529   2.618   2.465
  158   HD22  LEU  49          HD22      LEU  49  -4.136   2.073   4.025
  159   HD23  LEU  49          HD23      LEU  49  -2.991   1.075   3.128
  160    H    LYS  50           HN       LYS  50  -8.004   3.943   1.370
  161    HA   LYS  50           HA       LYS  50  -6.329   5.835   0.255
  162    HB2  LYS  50           HB2      LYS  50  -9.351   5.939   0.217
  163    HB3  LYS  50           HB3      LYS  50  -8.247   6.611  -0.978
  164    HG2  LYS  50           HG2      LYS  50  -8.651   3.683  -0.374
  165    HG3  LYS  50           HG3      LYS  50  -9.243   4.553  -1.791
  166    HD2  LYS  50           HD2      LYS  50  -6.314   4.362  -1.093
  167    HD3  LYS  50           HD3      LYS  50  -7.130   3.182  -2.121
  168    HE2  LYS  50           HE2      LYS  50  -7.310   6.108  -2.736
  169    HE3  LYS  50           HE3      LYS  50  -5.878   5.189  -3.196
  170    HZ1  LYS  50           HZ1      LYS  50  -8.644   4.418  -3.958
  171    HZ2  LYS  50           HZ2      LYS  50  -7.189   3.743  -4.525
  172    HZ3  LYS  50           HZ3      LYS  50  -7.611   5.334  -4.949
  173    H    ALA  51           HN       ALA  51  -8.566   6.068   2.907
  174    HA   ALA  51           HA       ALA  51  -8.246   8.911   3.282
  175    HB1  ALA  51           HB1      ALA  51  -9.388   6.876   5.188
  176    HB2  ALA  51           HB2      ALA  51  -9.530   8.631   5.310
  177    HB3  ALA  51           HB3      ALA  51 -10.304   7.775   3.978
  178    H    THR  52           HN       THR  52  -6.824   5.969   4.636
  179    HA   THR  52           HA       THR  52  -5.627   7.280   6.876
  180    HB   THR  52           HB       THR  52  -6.276   4.818   6.740
  181    HG1  THR  52           HG1      THR  52  -4.763   4.357   8.275
  182   HG21  THR  52          HG21      THR  52  -4.579   3.270   5.899
  183   HG22  THR  52          HG22      THR  52  -3.595   4.627   5.349
  184   HG23  THR  52          HG23      THR  52  -5.157   4.312   4.594
  185    H    PHE  53           HN       PHE  53  -4.743   7.314   3.653
  186    HA   PHE  53           HA       PHE  53  -2.099   6.535   3.650
  187    HB2  PHE  53           HB2      PHE  53  -3.545   8.531   1.934
  188    HB3  PHE  53           HB3      PHE  53  -1.850   8.128   1.671
  189    HD1  PHE  53           HD2      PHE  53  -2.003   5.210   2.368
  190    HD2  PHE  53           HD1      PHE  53  -4.490   7.687  -0.024
  191    HE1  PHE  53           HE2      PHE  53  -2.672   3.252   1.047
  192    HE2  PHE  53           HE1      PHE  53  -5.169   5.729  -1.340
  193    HZ   PHE  53           HZ       PHE  53  -4.265   3.507  -0.804
  194    H    SER  54           HN       SER  54  -3.433   9.557   4.759
  195    HA   SER  54           HA       SER  54  -1.064  11.074   4.695
  196    HB2  SER  54           HB2      SER  54  -3.444  11.318   6.551
  197    HB3  SER  54           HB3      SER  54  -2.212  12.555   6.287
  198    HG   SER  54           HG       SER  54  -2.973  12.000   3.906
  199    H    GLY  55           HN       GLY  55  -2.108   8.523   6.780
  200    HA2  GLY  55           HA1      GLY  55  -0.690   8.974   9.103
  201    HA3  GLY  55           HA2      GLY  55  -0.988   7.388   8.416
  202    H    PHE  56           HN       PHE  56   0.555   6.891   6.476
  203    HA   PHE  56           HA       PHE  56   3.198   7.024   7.590
  204    HB2  PHE  56           HB2      PHE  56   2.466   4.999   6.394
  205    HB3  PHE  56           HB3      PHE  56   2.353   5.929   4.900
  206    HD1  PHE  56           HD1      PHE  56   4.724   4.804   7.511
  207    HD2  PHE  56           HD2      PHE  56   4.218   6.256   3.546
  208    HE1  PHE  56           HE1      PHE  56   7.075   4.294   7.032
  209    HE2  PHE  56           HE2      PHE  56   6.576   5.755   3.062
  210    HZ   PHE  56           HZ       PHE  56   8.056   4.940   4.869
  211    H    THR  57           HN       THR  57   1.563   8.450   4.853
  212    HA   THR  57           HA       THR  57   3.776   9.512   3.496
  213    HB   THR  57           HB       THR  57   1.075  10.832   3.665
  214    HG1  THR  57           HG1      THR  57   0.388   8.973   2.900
  215   HG21  THR  57          HG21      THR  57   2.836  12.078   2.474
  216   HG22  THR  57          HG22      THR  57   1.572  11.525   1.374
  217   HG23  THR  57          HG23      THR  57   3.114  10.676   1.442
  218    H    LYS  58           HN       LYS  58   2.253  10.496   6.410
  219    HA   LYS  58           HA       LYS  58   3.230  13.223   6.388
  220    HB2  LYS  58           HB2      LYS  58   1.129  12.658   7.535
  221    HB3  LYS  58           HB3      LYS  58   2.010  11.596   8.623
  222    HG2  LYS  58           HG2      LYS  58   3.258  13.529   9.474
  223    HG3  LYS  58           HG3      LYS  58   2.323  14.580   8.405
  224    HD2  LYS  58           HD2      LYS  58   0.257  13.825   9.519
  225    HD3  LYS  58           HD3      LYS  58   1.232  12.852  10.621
  226    HE2  LYS  58           HE2      LYS  58   0.598  14.961  11.646
  227    HE3  LYS  58           HE3      LYS  58   2.344  14.860  11.424
  228    HZ1  LYS  58           HZ1      LYS  58   1.261  17.031  10.802
  229    HZ2  LYS  58           HZ2      LYS  58   0.576  16.226   9.477
  230    HZ3  LYS  58           HZ3      LYS  58   2.261  16.342   9.622
  231    H    GLU  59           HN       GLU  59   4.030  10.139   7.896
  232    HA   GLU  59           HA       GLU  59   6.240  11.303   9.372
  233    HB2  GLU  59           HB2      GLU  59   6.195   9.427  10.633
  234    HB3  GLU  59           HB3      GLU  59   4.634   9.146   9.872
  235    HG2  GLU  59           HG2      GLU  59   5.735   7.794   8.152
  236    HG3  GLU  59           HG3      GLU  59   7.283   8.035   8.978
  237    H    GLN  60           HN       GLN  60   5.609   9.777   6.379
  238    HA   GLN  60           HA       GLN  60   8.067   8.725   5.632
  239    HB2  GLN  60           HB2      GLN  60   5.757   8.824   4.413
  240    HB3  GLN  60           HB3      GLN  60   6.351  10.341   3.760
  241    HG2  GLN  60           HG2      GLN  60   8.149   9.250   2.661
  242    HG3  GLN  60           HG3      GLN  60   7.774   7.713   3.451
  243   HE21  GLN  60          HE21      GLN  60   7.905   8.316   0.616
  244   HE22  GLN  60          HE22      GLN  60   6.349   7.935  -0.035
  245    H    GLN  61           HN       GLN  61   6.758  11.954   5.320
  246    HA   GLN  61           HA       GLN  61   9.037  13.253   4.298
  247    HB2  GLN  61           HB2      GLN  61   6.893  14.383   6.110
  248    HB3  GLN  61           HB3      GLN  61   7.962  15.311   5.061
  249    HG2  GLN  61           HG2      GLN  61   5.839  13.365   4.186
  250    HG3  GLN  61           HG3      GLN  61   5.759  15.122   4.080
  251   HE21  GLN  61          HE21      GLN  61   7.173  12.232   2.760
  252   HE22  GLN  61          HE22      GLN  61   7.805  12.953   1.323
  253    H    ARG  62           HN       ARG  62   8.006  12.439   7.531
  254    HA   ARG  62           HA       ARG  62   9.888  14.001   8.955
  255    HB2  ARG  62           HB2      ARG  62   7.719  13.096   9.835
  256    HB3  ARG  62           HB3      ARG  62   8.473  11.508   9.883
  257    HG2  ARG  62           HG2      ARG  62   8.614  12.335  12.067
  258    HG3  ARG  62           HG3      ARG  62  10.229  12.542  11.384
  259    HD2  ARG  62           HD2      ARG  62   9.614  14.534  12.596
  260    HD3  ARG  62           HD3      ARG  62   9.676  14.893  10.871
  261    HE   ARG  62           HE       ARG  62   7.122  14.483  11.042
  262   HH11  ARG  62          HH12      ARG  62   9.152  16.072  13.412
  263   HH12  ARG  62          HH11      ARG  62   7.835  16.965  14.120
  264   HH21  ARG  62          HH22      ARG  62   5.407  15.678  11.954
  265   HH22  ARG  62          HH21      ARG  62   5.712  16.746  13.287
  266    H    LEU  63           HN       LEU  63   9.757  10.582   8.051
  267    HA   LEU  63           HA       LEU  63  12.327   9.943   9.137
  268    HB2  LEU  63           HB2      LEU  63  10.564   8.426   7.237
  269    HB3  LEU  63           HB3      LEU  63  12.005   7.782   8.001
  270    HG   LEU  63           HG       LEU  63   9.509   8.674   9.448
  271   HD11  LEU  63          HD11      LEU  63  10.575   5.901   8.935
  272   HD12  LEU  63          HD12      LEU  63   9.130   6.316   9.858
  273   HD13  LEU  63          HD13      LEU  63   9.190   6.634   8.125
  274   HD21  LEU  63          HD21      LEU  63  11.994   7.312  10.482
  275   HD22  LEU  63          HD22      LEU  63  11.532   8.985  10.785
  276   HD23  LEU  63          HD23      LEU  63  10.542   7.670  11.417
  277    H    GLY  64           HN       GLY  64  11.595  11.826   6.683
  278    HA2  GLY  64           HA1      GLY  64  12.845  12.674   4.942
  279    HA3  GLY  64           HA2      GLY  64  14.207  11.747   5.568
  280    H    ILE  65           HN       ILE  65  11.196  10.259   4.782
  281    HA   ILE  65           HA       ILE  65  12.569   8.605   2.872
  282    HB   ILE  65           HB       ILE  65   9.751   8.381   3.939
  283   HG12  ILE  65          HG12      ILE  65  12.303   6.898   4.613
  284   HG13  ILE  65          HG13      ILE  65  11.385   7.957   5.677
  285   HG21  ILE  65          HG21      ILE  65   9.943   7.395   1.719
  286   HG22  ILE  65          HG22      ILE  65  11.347   6.464   2.237
  287   HG23  ILE  65          HG23      ILE  65   9.764   6.137   2.940
  288   HD11  ILE  65          HD11      ILE  65  10.437   5.319   4.579
  289   HD12  ILE  65          HD12      ILE  65  11.034   5.608   6.214
  290   HD13  ILE  65          HD13      ILE  65   9.537   6.370   5.674
  291    HA   PRO  66           HA       PRO  66  11.243  11.144  -0.595
  292    HB2  PRO  66           HB2      PRO  66  11.471   8.570  -2.033
  293    HB3  PRO  66           HB3      PRO  66  12.243  10.119  -2.375
  294    HG2  PRO  66           HG2      PRO  66  13.553   7.990  -1.301
  295    HG3  PRO  66           HG3      PRO  66  14.021   9.675  -1.016
  296    HD2  PRO  66           HD2      PRO  66  12.751   7.739   0.792
  297    HD3  PRO  66           HD3      PRO  66  13.671   9.206   1.172
  298    H    LYS  67           HN       LYS  67   9.228  11.520  -1.486
  299    HA   LYS  67           HA       LYS  67   6.992  10.180  -0.531
  300    HB2  LYS  67           HB2      LYS  67   7.171  11.814  -3.066
  301    HB3  LYS  67           HB3      LYS  67   5.700  11.442  -2.175
  302    HG2  LYS  67           HG2      LYS  67   6.666  12.653  -0.223
  303    HG3  LYS  67           HG3      LYS  67   8.005  13.145  -1.262
  304    HD2  LYS  67           HD2      LYS  67   5.088  13.773  -1.724
  305    HD3  LYS  67           HD3      LYS  67   6.293  14.892  -1.086
  306    HE2  LYS  67           HE2      LYS  67   6.341  13.609  -3.818
  307    HE3  LYS  67           HE3      LYS  67   5.874  15.271  -3.466
  308    HZ1  LYS  67           HZ1      LYS  67   8.561  14.088  -3.001
  309    HZ2  LYS  67           HZ2      LYS  67   8.111  15.682  -2.632
  310    HZ3  LYS  67           HZ3      LYS  67   8.142  15.162  -4.246
  311    H    ASP  68           HN       ASP  68   8.392   9.919  -3.808
  312    HA   ASP  68           HA       ASP  68   6.576   7.879  -4.662
  313    HB2  ASP  68           HB2      ASP  68   9.264   8.759  -5.739
  314    HB3  ASP  68           HB3      ASP  68   8.263   7.535  -6.509
  315    HA   PRO  69           HA       PRO  69   8.844   4.342  -3.208
  316    HB2  PRO  69           HB2      PRO  69   7.947   2.461  -4.856
  317    HB3  PRO  69           HB3      PRO  69   6.848   3.259  -3.723
  318    HG2  PRO  69           HG2      PRO  69   7.231   3.746  -6.653
  319    HG3  PRO  69           HG3      PRO  69   5.724   3.652  -5.722
  320    HD2  PRO  69           HD2      PRO  69   6.981   6.006  -6.439
  321    HD3  PRO  69           HD3      PRO  69   5.861   5.840  -5.071
  322    H    ARG  70           HN       ARG  70   9.152   5.551  -6.398
  323    HA   ARG  70           HA       ARG  70  10.579   3.434  -7.597
  324    HB2  ARG  70           HB2      ARG  70  10.288   6.307  -8.484
  325    HB3  ARG  70           HB3      ARG  70  10.780   4.955  -9.499
  326    HG2  ARG  70           HG2      ARG  70   8.671   4.365  -9.879
  327    HG3  ARG  70           HG3      ARG  70   8.286   4.390  -8.159
  328    HD2  ARG  70           HD2      ARG  70   6.856   5.965  -9.194
  329    HD3  ARG  70           HD3      ARG  70   8.095   6.893  -8.350
  330    HE   ARG  70           HE       ARG  70   8.810   6.407 -11.069
  331   HH11  ARG  70          HH12      ARG  70   6.852   8.515  -9.010
  332   HH12  ARG  70          HH11      ARG  70   6.790   9.779 -10.200
  333   HH21  ARG  70          HH22      ARG  70   8.689   8.094 -12.595
  334   HH22  ARG  70          HH21      ARG  70   7.816   9.545 -12.210
  335    H    GLN  71           HN       GLN  71  11.744   5.149  -5.234
  336    HA   GLN  71           HA       GLN  71  14.496   4.958  -6.164
  337    HB2  GLN  71           HB2      GLN  71  15.107   7.208  -5.744
  338    HB3  GLN  71           HB3      GLN  71  13.596   7.311  -6.640
  339    HG2  GLN  71           HG2      GLN  71  13.904   7.585  -3.660
  340    HG3  GLN  71           HG3      GLN  71  13.633   8.897  -4.806
  341   HE21  GLN  71          HE21      GLN  71  12.213   6.034  -3.330
  342   HE22  GLN  71          HE22      GLN  71  10.567   6.483  -3.625
  343    H    TRP  72           HN       TRP  72  12.565   3.865  -4.036
  344    HA   TRP  72           HA       TRP  72  13.613   4.779  -1.552
  345    HB2  TRP  72           HB2      TRP  72  11.642   2.747  -2.497
  346    HB3  TRP  72           HB3      TRP  72  12.282   2.573  -0.865
  347    HD1  TRP  72           HD1      TRP  72  12.204   6.106  -1.024
  348    HE1  TRP  72           HE1      TRP  72   9.949   7.076  -0.242
  349    HE3  TRP  72           HE3      TRP  72   9.386   1.888  -1.308
  350    HZ2  TRP  72           HZ2      TRP  72   7.311   6.149   0.196
  351    HZ3  TRP  72           HZ3      TRP  72   7.016   2.000  -0.697
  352    HH2  TRP  72           HH2      TRP  72   6.003   4.081   0.035
  353    H    THR  73           HN       THR  73  14.695   3.446   0.010
  354    HA   THR  73           HA       THR  73  16.357   1.328  -1.063
  355    HB   THR  73           HB       THR  73  17.314   1.254   1.219
  356    HG1  THR  73           HG1      THR  73  16.535   2.637   2.813
  357   HG21  THR  73          HG21      THR  73  17.067   4.087   0.195
  358   HG22  THR  73          HG22      THR  73  18.198   2.879  -0.419
  359   HG23  THR  73          HG23      THR  73  18.341   3.458   1.242
  360    H    GLU  74           HN       GLU  74  16.317  -0.819   0.183
  361    HA   GLU  74           HA       GLU  74  13.770  -1.923   0.266
  362    HB2  GLU  74           HB2      GLU  74  16.136  -2.839   1.918
  363    HB3  GLU  74           HB3      GLU  74  14.725  -3.800   1.501
  364    HG2  GLU  74           HG2      GLU  74  16.313  -4.555   0.014
  365    HG3  GLU  74           HG3      GLU  74  15.434  -3.362  -0.941
  366    H    THR  75           HN       THR  75  15.708  -0.520   2.866
  367    HA   THR  75           HA       THR  75  14.025  -0.897   5.027
  368    HB   THR  75           HB       THR  75  15.536   1.675   4.609
  369    HG1  THR  75           HG1      THR  75  17.341   0.583   4.503
  370   HG21  THR  75          HG21      THR  75  14.227   1.436   6.676
  371   HG22  THR  75          HG22      THR  75  15.958   1.466   7.010
  372   HG23  THR  75          HG23      THR  75  15.081  -0.064   7.039
  373    H    HIS  76           HN       HIS  76  13.928   1.669   2.550
  374    HA   HIS  76           HA       HIS  76  11.896   3.176   3.901
  375    HB2  HIS  76           HB2      HIS  76  13.028   3.303   1.103
  376    HB3  HIS  76           HB3      HIS  76  11.702   4.338   1.620
  377    HD1  HIS  76           HD1      HIS  76  14.643   5.298   0.777
  378    HD2  HIS  76           HD2      HIS  76  13.126   4.948   4.640
  379    HE1  HIS  76           HE1      HIS  76  16.017   6.851   2.185
  380    HE2  HIS  76           HE2      HIS  76  15.129   6.590   4.534
  381    H    VAL  77           HN       VAL  77  11.961   0.850   1.243
  382    HA   VAL  77           HA       VAL  77   9.262   0.914   0.578
  383    HB   VAL  77           HB       VAL  77  11.321  -1.291   0.362
  384   HG11  VAL  77          HG11      VAL  77   9.087  -2.274   0.491
  385   HG12  VAL  77          HG12      VAL  77   8.543  -1.215  -0.811
  386   HG13  VAL  77          HG13      VAL  77   9.770  -2.440  -1.126
  387   HG21  VAL  77          HG21      VAL  77  11.752   0.687  -1.037
  388   HG22  VAL  77          HG22      VAL  77  11.315  -0.704  -2.035
  389   HG23  VAL  77          HG23      VAL  77  10.130   0.570  -1.719
  390    H    ARG  78           HN       ARG  78  11.062  -1.144   2.881
  391    HA   ARG  78           HA       ARG  78   8.926  -2.719   3.754
  392    HB2  ARG  78           HB2      ARG  78  11.330  -1.781   5.305
  393    HB3  ARG  78           HB3      ARG  78  10.222  -3.027   5.851
  394    HG2  ARG  78           HG2      ARG  78  10.825  -4.320   3.786
  395    HG3  ARG  78           HG3      ARG  78  12.100  -3.126   3.512
  396    HD2  ARG  78           HD2      ARG  78  11.783  -5.054   5.783
  397    HD3  ARG  78           HD3      ARG  78  13.162  -4.844   4.700
  398    HE   ARG  78           HE       ARG  78  12.513  -2.556   6.369
  399   HH11  ARG  78          HH12      ARG  78  14.552  -5.372   5.909
  400   HH12  ARG  78          HH11      ARG  78  15.655  -4.922   7.170
  401   HH21  ARG  78          HH22      ARG  78  13.979  -1.954   7.986
  402   HH22  ARG  78          HH21      ARG  78  15.340  -2.977   8.344
  403    H    ASP  79           HN       ASP  79  10.087   0.391   4.965
  404    HA   ASP  79           HA       ASP  79   8.510   0.664   7.233
  405    HB2  ASP  79           HB2      ASP  79   9.747   2.574   5.300
  406    HB3  ASP  79           HB3      ASP  79   8.569   3.214   6.444
  407    H    TRP  80           HN       TRP  80   7.787   1.509   3.879
  408    HA   TRP  80           HA       TRP  80   5.170   2.514   4.499
  409    HB2  TRP  80           HB2      TRP  80   6.112   3.537   2.642
  410    HB3  TRP  80           HB3      TRP  80   6.859   2.044   2.076
  411    HD1  TRP  80           HD1      TRP  80   3.517   3.928   1.977
  412    HE1  TRP  80           HE1      TRP  80   2.170   2.936   0.016
  413    HE3  TRP  80           HE3      TRP  80   6.547   0.008   0.792
  414    HZ2  TRP  80           HZ2      TRP  80   2.369   0.781  -1.802
  415    HZ3  TRP  80           HZ3      TRP  80   5.908  -1.478  -1.047
  416    HH2  TRP  80           HH2      TRP  80   3.856  -1.106  -2.312
  417    H    VAL  81           HN       VAL  81   6.660  -0.421   3.493
  418    HA   VAL  81           HA       VAL  81   4.456  -1.809   2.439
  419    HB   VAL  81           HB       VAL  81   7.201  -2.450   3.357
  420   HG11  VAL  81          HG11      VAL  81   5.159  -4.642   3.061
  421   HG12  VAL  81          HG12      VAL  81   6.907  -4.855   3.190
  422   HG13  VAL  81          HG13      VAL  81   5.999  -4.186   4.545
  423   HG21  VAL  81          HG21      VAL  81   6.726  -1.907   1.045
  424   HG22  VAL  81          HG22      VAL  81   7.312  -3.566   1.191
  425   HG23  VAL  81          HG23      VAL  81   5.593  -3.257   0.945
  426    H    MET  82           HN       MET  82   6.055  -2.134   5.590
  427    HA   MET  82           HA       MET  82   3.901  -3.665   6.635
  428    HB2  MET  82           HB2      MET  82   5.041  -3.595   8.749
  429    HB3  MET  82           HB3      MET  82   6.172  -3.940   7.450
  430    HG2  MET  82           HG2      MET  82   6.929  -1.617   7.491
  431    HG3  MET  82           HG3      MET  82   5.808  -1.284   8.813
  432    HE1  MET  82           HE1      MET  82   6.082  -4.223  10.199
  433    HE2  MET  82           HE2      MET  82   7.257  -3.904  11.478
  434    HE3  MET  82           HE3      MET  82   5.951  -2.757  11.174
  435    H    TRP  83           HN       TRP  83   4.207  -0.258   6.238
  436    HA   TRP  83           HA       TRP  83   2.646   0.422   8.537
  437    HB2  TRP  83           HB2      TRP  83   3.932   2.186   7.482
  438    HB3  TRP  83           HB3      TRP  83   3.090   1.954   5.952
  439    HD1  TRP  83           HD1      TRP  83   2.535   3.373   9.478
  440    HE1  TRP  83           HE1      TRP  83   0.523   4.974   9.394
  441    HE3  TRP  83           HE3      TRP  83   1.015   2.491   4.691
  442    HZ2  TRP  83           HZ2      TRP  83  -1.456   5.756   7.524
  443    HZ3  TRP  83           HZ3      TRP  83  -0.938   3.702   3.825
  444    HH2  TRP  83           HH2      TRP  83  -2.141   5.299   5.211
  445    H    ALA  84           HN       ALA  84   1.631   0.276   5.064
  446    HA   ALA  84           HA       ALA  84  -1.103   0.596   5.668
  447    HB1  ALA  84           HB1      ALA  84  -0.224   0.807   3.378
  448    HB2  ALA  84           HB2      ALA  84   0.061  -0.933   3.337
  449    HB3  ALA  84           HB3      ALA  84  -1.587  -0.313   3.466
  450    H    VAL  85           HN       VAL  85   0.973  -2.170   5.478
  451    HA   VAL  85           HA       VAL  85  -0.815  -4.219   6.004
  452    HB   VAL  85           HB       VAL  85   2.113  -3.790   6.415
  453   HG11  VAL  85          HG11      VAL  85   0.661  -6.227   7.433
  454   HG12  VAL  85          HG12      VAL  85   2.411  -6.046   7.303
  455   HG13  VAL  85          HG13      VAL  85   1.499  -5.030   8.419
  456   HG21  VAL  85          HG21      VAL  85   0.497  -5.824   4.897
  457   HG22  VAL  85          HG22      VAL  85   1.289  -4.397   4.228
  458   HG23  VAL  85          HG23      VAL  85   2.256  -5.709   4.902
  459    H    ASN  86           HN       ASN  86   1.152  -2.407   8.435
  460    HA   ASN  86           HA       ASN  86   0.030  -3.940  10.515
  461    HB2  ASN  86           HB2      ASN  86   1.449  -2.910  11.968
  462    HB3  ASN  86           HB3      ASN  86   2.284  -2.676  10.444
  463   HD21  ASN  86          HD21      ASN  86   0.586  -0.554   9.520
  464   HD22  ASN  86          HD22      ASN  86   0.942   0.841  10.499
  465    H    GLU  87           HN       GLU  87  -1.140  -1.151   8.946
  466    HA   GLU  87           HA       GLU  87  -2.744  -0.212  11.164
  467    HB2  GLU  87           HB2      GLU  87  -2.948   0.454   8.218
  468    HB3  GLU  87           HB3      GLU  87  -3.744   1.311   9.529
  469    HG2  GLU  87           HG2      GLU  87  -0.777   1.125   9.106
  470    HG3  GLU  87           HG3      GLU  87  -1.790   2.506   8.689
  471    H    PHE  88           HN       PHE  88  -3.018  -2.073   8.251
  472    HA   PHE  88           HA       PHE  88  -5.811  -2.682   8.545
  473    HB2  PHE  88           HB2      PHE  88  -3.622  -3.227   6.641
  474    HB3  PHE  88           HB3      PHE  88  -4.868  -4.479   6.754
  475    HD1  PHE  88           HD1      PHE  88  -7.257  -3.878   6.385
  476    HD2  PHE  88           HD2      PHE  88  -4.068  -1.199   5.530
  477    HE1  PHE  88           HE1      PHE  88  -8.765  -2.542   4.976
  478    HE2  PHE  88           HE2      PHE  88  -5.567   0.137   4.120
  479    HZ   PHE  88           HZ       PHE  88  -7.919  -0.526   3.844
  480    H    SER  89           HN       SER  89  -3.199  -3.654  10.233
  481    HA   SER  89           HA       SER  89  -2.612  -5.429  11.505
  482    HB2  SER  89           HB2      SER  89  -5.506  -6.244  11.146
  483    HB3  SER  89           HB3      SER  89  -4.404  -6.863  12.375
  484    HG   SER  89           HG       SER  89  -5.101  -4.126  12.083
  485    H    LEU  90           HN       LEU  90  -2.040  -5.589   8.766
  486    HA   LEU  90           HA       LEU  90  -2.532  -8.367   7.972
  487    HB2  LEU  90           HB2      LEU  90  -0.732  -6.477   6.491
  488    HB3  LEU  90           HB3      LEU  90  -1.734  -7.769   5.849
  489    HG   LEU  90           HG       LEU  90  -2.790  -5.148   6.926
  490   HD11  LEU  90          HD11      LEU  90  -1.379  -4.905   4.931
  491   HD12  LEU  90          HD12      LEU  90  -2.407  -6.055   4.079
  492   HD13  LEU  90          HD13      LEU  90  -3.074  -4.510   4.616
  493   HD21  LEU  90          HD21      LEU  90  -4.871  -5.849   5.815
  494   HD22  LEU  90          HD22      LEU  90  -4.119  -7.378   5.359
  495   HD23  LEU  90          HD23      LEU  90  -4.393  -7.003   7.061
  496    H    LYS  91           HN       LYS  91  -0.718  -7.097  10.190
  497    HA   LYS  91           HA       LYS  91   1.943  -7.416   9.415
  498    HB2  LYS  91           HB2      LYS  91   0.852  -6.143  11.392
  499    HB3  LYS  91           HB3      LYS  91   1.024  -7.662  12.255
  500    HG2  LYS  91           HG2      LYS  91   3.340  -7.565  12.226
  501    HG3  LYS  91           HG3      LYS  91   3.373  -6.432  10.873
  502    HD2  LYS  91           HD2      LYS  91   3.975  -5.303  12.944
  503    HD3  LYS  91           HD3      LYS  91   2.441  -4.679  12.326
  504    HE2  LYS  91           HE2      LYS  91   1.231  -6.086  13.913
  505    HE3  LYS  91           HE3      LYS  91   2.756  -6.731  14.520
  506    HZ1  LYS  91           HZ1      LYS  91   3.364  -4.478  15.211
  507    HZ2  LYS  91           HZ2      LYS  91   1.939  -5.000  15.962
  508    HZ3  LYS  91           HZ3      LYS  91   1.861  -3.900  14.673
  509    H    GLY  92           HN       GLY  92   1.162  -9.608   8.377
  510    HA2  GLY  92           HA1      GLY  92   2.752 -11.542   9.892
  511    HA3  GLY  92           HA2      GLY  92   1.271 -12.051   9.061
  512    H    VAL  93           HN       VAL  93   3.138  -9.449   7.882
  513    HA   VAL  93           HA       VAL  93   3.266 -10.595   5.260
  514    HB   VAL  93           HB       VAL  93   3.358  -7.982   6.420
  515   HG11  VAL  93          HG11      VAL  93   5.104  -6.921   5.080
  516   HG12  VAL  93          HG12      VAL  93   5.784  -8.062   6.243
  517   HG13  VAL  93          HG13      VAL  93   5.656  -8.507   4.540
  518   HG21  VAL  93          HG21      VAL  93   2.838  -7.279   4.181
  519   HG22  VAL  93          HG22      VAL  93   3.378  -8.832   3.537
  520   HG23  VAL  93          HG23      VAL  93   1.944  -8.751   4.565
  521    H    ASP  94           HN       ASP  94   5.056 -11.403   4.205
  522    HA   ASP  94           HA       ASP  94   7.349 -12.021   5.847
  523    HB2  ASP  94           HB2      ASP  94   6.661 -12.566   2.955
  524    HB3  ASP  94           HB3      ASP  94   8.252 -12.924   3.616
  525    H    PHE  95           HN       PHE  95   8.410 -10.182   6.378
  526    HA   PHE  95           HA       PHE  95   8.510  -7.894   4.772
  527    HB2  PHE  95           HB2      PHE  95  10.424  -8.691   6.975
  528    HB3  PHE  95           HB3      PHE  95  10.178  -7.063   6.353
  529    HD1  PHE  95           HD1      PHE  95   7.934  -5.968   6.682
  530    HD2  PHE  95           HD2      PHE  95   9.053  -9.560   8.672
  531    HE1  PHE  95           HE1      PHE  95   6.165  -5.590   8.350
  532    HE2  PHE  95           HE2      PHE  95   7.284  -9.187  10.342
  533    HZ   PHE  95           HZ       PHE  95   5.817  -7.238  10.167
  534    H    GLN  96           HN       GLN  96  10.413 -10.756   4.816
  535    HA   GLN  96           HA       GLN  96  12.642  -9.628   3.372
  536    HB2  GLN  96           HB2      GLN  96  11.906 -12.493   3.967
  537    HB3  GLN  96           HB3      GLN  96  13.383 -12.003   3.154
  538    HG2  GLN  96           HG2      GLN  96  12.559 -11.330   5.972
  539    HG3  GLN  96           HG3      GLN  96  13.845 -12.427   5.476
  540   HE21  GLN  96          HE21      GLN  96  14.812 -10.704   3.351
  541   HE22  GLN  96          HE22      GLN  96  15.607  -9.373   4.116
  542    H    LYS  97           HN       LYS  97   9.675 -11.328   2.579
  543    HA   LYS  97           HA       LYS  97  10.243 -11.674  -0.196
  544    HB2  LYS  97           HB2      LYS  97   8.200 -12.449   1.477
  545    HB3  LYS  97           HB3      LYS  97   7.437 -11.146   0.581
  546    HG2  LYS  97           HG2      LYS  97   8.719 -13.594  -0.613
  547    HG3  LYS  97           HG3      LYS  97   6.990 -13.320  -0.415
  548    HD2  LYS  97           HD2      LYS  97   7.102 -11.419  -1.956
  549    HD3  LYS  97           HD3      LYS  97   8.848 -11.661  -2.121
  550    HE2  LYS  97           HE2      LYS  97   6.668 -13.574  -2.952
  551    HE3  LYS  97           HE3      LYS  97   7.719 -12.641  -4.015
  552    HZ1  LYS  97           HZ1      LYS  97   8.620 -14.768  -2.141
  553    HZ2  LYS  97           HZ2      LYS  97   9.617 -13.887  -3.192
  554    HZ3  LYS  97           HZ3      LYS  97   8.449 -14.942  -3.818
  555    H    PHE  98           HN       PHE  98   9.269  -9.153   1.888
  556    HA   PHE  98           HA       PHE  98   8.299  -7.410  -0.209
  557    HB2  PHE  98           HB2      PHE  98   8.203  -7.480   2.748
  558    HB3  PHE  98           HB3      PHE  98   8.177  -5.890   1.981
  559    HD1  PHE  98           HD1      PHE  98   6.327  -5.271   0.470
  560    HD2  PHE  98           HD2      PHE  98   6.415  -8.975   2.554
  561    HE1  PHE  98           HE1      PHE  98   3.928  -5.573   0.048
  562    HE2  PHE  98           HE2      PHE  98   4.031  -9.290   2.112
  563    HZ   PHE  98           HZ       PHE  98   2.798  -7.482   0.727
  564    H    CYS  99           HN       CYS  99  11.195  -8.227   0.210
  565    HA   CYS  99           HA       CYS  99  12.386  -5.632   0.733
  566    HB2  CYS  99           HB2      CYS  99  13.559  -8.340   0.237
  567    HB3  CYS  99           HB3      CYS  99  14.522  -6.881   0.429
  568    HG   CYS  99           HG       CYS  99  12.310  -7.696   2.873
  569    H    MET 100           HN       MET 100  11.699  -4.503  -1.072
  570    HA   MET 100           HA       MET 100  13.371  -5.114  -3.389
  571    HB2  MET 100           HB2      MET 100  11.524  -3.276  -4.345
  572    HB3  MET 100           HB3      MET 100  11.568  -4.996  -4.725
  573    HG2  MET 100           HG2      MET 100  10.124  -3.950  -2.351
  574    HG3  MET 100           HG3      MET 100   9.385  -3.943  -3.967
  575    HE1  MET 100           HE1      MET 100   7.740  -6.787  -1.798
  576    HE2  MET 100           HE2      MET 100   8.475  -5.303  -1.192
  577    HE3  MET 100           HE3      MET 100   7.464  -5.259  -2.635
  578    H    SER 101           HN       SER 101  14.690  -3.444  -4.045
  579    HA   SER 101           HA       SER 101  14.824  -1.049  -2.496
  580    HB2  SER 101           HB2      SER 101  16.703  -2.023  -3.962
  581    HB3  SER 101           HB3      SER 101  15.814  -1.385  -5.344
  582    HG   SER 101           HG       SER 101  16.685   0.164  -3.130
  583    H    GLY 102           HN       GLY 102  13.957   1.057  -3.232
  584    HA2  GLY 102           HA1      GLY 102  11.290   0.832  -3.853
  585    HA3  GLY 102           HA2      GLY 102  12.216   2.308  -4.019
  586    H    ALA 103           HN       ALA 103  13.920   1.572  -6.153
  587    HA   ALA 103           HA       ALA 103  12.304   1.972  -8.416
  588    HB1  ALA 103           HB1      ALA 103  14.694   2.493  -8.374
  589    HB2  ALA 103           HB2      ALA 103  15.072   0.773  -8.280
  590    HB3  ALA 103           HB3      ALA 103  14.301   1.429  -9.724
  591    H    ALA 104           HN       ALA 104  13.488  -0.903  -6.853
  592    HA   ALA 104           HA       ALA 104  12.459  -2.765  -8.764
  593    HB1  ALA 104           HB1      ALA 104  12.989  -4.448  -7.101
  594    HB2  ALA 104           HB2      ALA 104  14.328  -3.313  -7.255
  595    HB3  ALA 104           HB3      ALA 104  13.227  -3.195  -5.879
  596    H    LEU 105           HN       LEU 105  11.334  -1.475  -5.577
  597    HA   LEU 105           HA       LEU 105   9.096  -2.837  -5.151
  598    HB2  LEU 105           HB2      LEU 105   9.896  -1.081  -3.699
  599    HB3  LEU 105           HB3      LEU 105   9.515   0.140  -4.908
  600    HG   LEU 105           HG       LEU 105   7.124  -0.461  -4.701
  601   HD11  LEU 105          HD11      LEU 105   8.159  -2.251  -2.518
  602   HD12  LEU 105          HD12      LEU 105   6.468  -1.745  -2.659
  603   HD13  LEU 105          HD13      LEU 105   7.212  -2.713  -3.941
  604   HD21  LEU 105          HD21      LEU 105   8.458   0.287  -2.122
  605   HD22  LEU 105          HD22      LEU 105   8.098   1.386  -3.456
  606   HD23  LEU 105          HD23      LEU 105   6.778   0.616  -2.574
  607    H    CYS 106           HN       CYS 106   9.159   0.112  -7.003
  608    HA   CYS 106           HA       CYS 106   6.633   0.000  -8.080
  609    HB2  CYS 106           HB2      CYS 106   8.169   1.913  -8.146
  610    HB3  CYS 106           HB3      CYS 106   9.178   1.055  -9.299
  611    HG   CYS 106           HG       CYS 106   7.516   1.247 -11.426
  612    H    ALA 107           HN       ALA 107   9.683  -1.336  -9.351
  613    HA   ALA 107           HA       ALA 107   8.601  -2.139 -11.815
  614    HB1  ALA 107           HB1      ALA 107  10.725  -3.239 -12.179
  615    HB2  ALA 107           HB2      ALA 107  10.957  -1.630 -11.495
  616    HB3  ALA 107           HB3      ALA 107  11.129  -3.056 -10.472
  617    H    LEU 108           HN       LEU 108   8.253  -3.727  -8.749
  618    HA   LEU 108           HA       LEU 108   8.253  -6.350  -9.762
  619    HB2  LEU 108           HB2      LEU 108   6.694  -6.893  -7.785
  620    HB3  LEU 108           HB3      LEU 108   8.338  -6.401  -7.472
  621    HG   LEU 108           HG       LEU 108   7.523  -4.137  -6.889
  622   HD11  LEU 108          HD11      LEU 108   5.141  -3.797  -6.449
  623   HD12  LEU 108          HD12      LEU 108   5.438  -4.086  -8.163
  624   HD13  LEU 108          HD13      LEU 108   4.780  -5.375  -7.154
  625   HD21  LEU 108          HD21      LEU 108   7.952  -5.828  -5.207
  626   HD22  LEU 108          HD22      LEU 108   6.596  -4.798  -4.747
  627   HD23  LEU 108          HD23      LEU 108   6.298  -6.421  -5.368
  628    H    GLY 109           HN       GLY 109   5.795  -3.863  -9.804
  629    HA2  GLY 109           HA1      GLY 109   3.936  -3.747 -11.190
  630    HA3  GLY 109           HA2      GLY 109   4.293  -5.374 -11.754
  631    H    LYS 110           HN       LYS 110   1.724  -4.234 -10.972
  632    HA   LYS 110           HA       LYS 110   0.806  -4.902  -8.482
  633    HB2  LYS 110           HB2      LYS 110  -1.122  -4.229  -9.393
  634    HB3  LYS 110           HB3      LYS 110  -0.359  -4.249 -10.970
  635    HG2  LYS 110           HG2      LYS 110  -2.289  -5.518 -11.239
  636    HG3  LYS 110           HG3      LYS 110  -1.016  -6.718 -11.055
  637    HD2  LYS 110           HD2      LYS 110  -1.743  -6.450  -8.498
  638    HD3  LYS 110           HD3      LYS 110  -3.274  -6.054  -9.280
  639    HE2  LYS 110           HE2      LYS 110  -1.651  -8.542  -9.840
  640    HE3  LYS 110           HE3      LYS 110  -3.009  -8.473  -8.721
  641    HZ1  LYS 110           HZ1      LYS 110  -3.147  -7.908 -11.642
  642    HZ2  LYS 110           HZ2      LYS 110  -4.451  -7.850 -10.561
  643    HZ3  LYS 110           HZ3      LYS 110  -3.682  -9.323 -10.874
  644    H    GLU 111           HN       GLU 111   0.899  -7.139 -11.280
  645    HA   GLU 111           HA       GLU 111  -0.264  -9.285  -9.991
  646    HB2  GLU 111           HB2      GLU 111   1.736  -9.317 -12.246
  647    HB3  GLU 111           HB3      GLU 111   0.690 -10.658 -11.794
  648    HG2  GLU 111           HG2      GLU 111  -1.275  -9.282 -12.271
  649    HG3  GLU 111           HG3      GLU 111  -0.220  -7.954 -12.748
  650    H    CYS 112           HN       CYS 112   3.104  -8.323 -10.011
  651    HA   CYS 112           HA       CYS 112   3.966 -10.742  -8.728
  652    HB2  CYS 112           HB2      CYS 112   5.534  -9.438 -10.103
  653    HB3  CYS 112           HB3      CYS 112   5.408  -8.097  -8.970
  654    HG   CYS 112           HG       CYS 112   6.242 -10.757  -7.267
  655    H    PHE 113           HN       PHE 113   3.466  -7.371  -7.676
  656    HA   PHE 113           HA       PHE 113   4.143  -7.658  -5.028
  657    HB2  PHE 113           HB2      PHE 113   3.448  -5.538  -6.372
  658    HB3  PHE 113           HB3      PHE 113   1.823  -5.914  -5.814
  659    HD1  PHE 113           HD2      PHE 113   1.636  -6.369  -3.172
  660    HD2  PHE 113           HD1      PHE 113   4.744  -4.175  -5.113
  661    HE1  PHE 113           HE2      PHE 113   2.102  -5.162  -1.095
  662    HE2  PHE 113           HE1      PHE 113   5.200  -2.983  -3.028
  663    HZ   PHE 113           HZ       PHE 113   3.938  -3.726  -0.901
  664    H    LEU 114           HN       LEU 114   0.979  -8.341  -6.519
  665    HA   LEU 114           HA       LEU 114  -0.203  -8.771  -3.941
  666    HB2  LEU 114           HB2      LEU 114  -1.463  -9.793  -6.442
  667    HB3  LEU 114           HB3      LEU 114  -2.220  -9.205  -4.975
  668    HG   LEU 114           HG       LEU 114  -1.200  -7.708  -7.320
  669   HD11  LEU 114          HD11      LEU 114  -3.247  -6.390  -6.805
  670   HD12  LEU 114          HD12      LEU 114  -3.549  -8.097  -7.135
  671   HD13  LEU 114          HD13      LEU 114  -3.566  -7.505  -5.476
  672   HD21  LEU 114          HD21      LEU 114   0.089  -6.799  -5.397
  673   HD22  LEU 114          HD22      LEU 114  -1.009  -5.641  -6.160
  674   HD23  LEU 114          HD23      LEU 114  -1.448  -6.396  -4.627
  675    H    GLU 115           HN       GLU 115   1.305 -10.748  -6.354
  676    HA   GLU 115           HA       GLU 115   0.654 -13.221  -5.093
  677    HB2  GLU 115           HB2      GLU 115   2.784 -12.404  -7.066
  678    HB3  GLU 115           HB3      GLU 115   2.627 -14.051  -6.473
  679    HG2  GLU 115           HG2      GLU 115   0.363 -12.600  -7.802
  680    HG3  GLU 115           HG3      GLU 115   1.562 -13.522  -8.710
  681    H    LEU 116           HN       LEU 116   2.622 -10.640  -4.401
  682    HA   LEU 116           HA       LEU 116   4.772 -12.079  -3.099
  683    HB2  LEU 116           HB2      LEU 116   5.652 -10.348  -4.253
  684    HB3  LEU 116           HB3      LEU 116   4.212  -9.361  -4.099
  685    HG   LEU 116           HG       LEU 116   5.713  -9.653  -1.608
  686   HD11  LEU 116          HD11      LEU 116   7.585  -9.701  -3.162
  687   HD12  LEU 116          HD12      LEU 116   6.941  -8.282  -3.988
  688   HD13  LEU 116          HD13      LEU 116   7.513  -8.151  -2.325
  689   HD21  LEU 116          HD21      LEU 116   5.346  -7.263  -1.540
  690   HD22  LEU 116          HD22      LEU 116   4.775  -7.292  -3.208
  691   HD23  LEU 116          HD23      LEU 116   3.850  -8.106  -1.946
  692    H    ALA 117           HN       ALA 117   1.844 -10.459  -2.274
  693    HA   ALA 117           HA       ALA 117   2.275 -11.289   0.535
  694    HB1  ALA 117           HB1      ALA 117   2.357  -8.856   0.513
  695    HB2  ALA 117           HB2      ALA 117   0.831  -8.785  -0.364
  696    HB3  ALA 117           HB3      ALA 117   0.868  -9.390   1.299
  697    HA   PRO 118           HA       PRO 118  -2.028 -12.981   0.303
  698    HB2  PRO 118           HB2      PRO 118  -2.896 -10.679   1.993
  699    HB3  PRO 118           HB3      PRO 118  -3.277 -12.396   2.157
  700    HG2  PRO 118           HG2      PRO 118  -1.498 -11.217   3.777
  701    HG3  PRO 118           HG3      PRO 118  -1.267 -12.880   3.208
  702    HD2  PRO 118           HD2      PRO 118   0.113 -10.389   2.379
  703    HD3  PRO 118           HD3      PRO 118   0.717 -12.056   2.416
  704    H    ASP 119           HN       ASP 119  -3.567 -12.574  -1.224
  705    HA   ASP 119           HA       ASP 119  -3.069 -10.695  -3.154
  706    HB2  ASP 119           HB2      ASP 119  -5.060 -11.382  -4.259
  707    HB3  ASP 119           HB3      ASP 119  -4.388 -12.793  -3.453
  708    H    PHE 120           HN       PHE 120  -4.848 -10.090  -0.246
  709    HA   PHE 120           HA       PHE 120  -6.207  -7.795  -1.417
  710    HB2  PHE 120           HB2      PHE 120  -7.539  -9.124   0.130
  711    HB3  PHE 120           HB3      PHE 120  -6.295  -8.964   1.362
  712    HD1  PHE 120           HD1      PHE 120  -7.745  -6.333  -0.829
  713    HD2  PHE 120           HD2      PHE 120  -7.358  -7.919   3.099
  714    HE1  PHE 120           HE1      PHE 120  -8.894  -4.359   0.084
  715    HE2  PHE 120           HE2      PHE 120  -8.496  -5.945   4.019
  716    HZ   PHE 120           HZ       PHE 120  -9.268  -4.162   2.509
  717    H    VAL 121           HN       VAL 121  -3.679  -8.750   0.691
  718    HA   VAL 121           HA       VAL 121  -3.054  -6.199   1.752
  719    HB   VAL 121           HB       VAL 121  -1.522  -8.792   1.660
  720   HG11  VAL 121          HG11      VAL 121  -1.043  -6.329   3.335
  721   HG12  VAL 121          HG12      VAL 121  -0.199  -7.870   3.506
  722   HG13  VAL 121          HG13      VAL 121  -0.009  -6.917   2.032
  723   HG21  VAL 121          HG21      VAL 121  -2.437  -9.169   3.838
  724   HG22  VAL 121          HG22      VAL 121  -3.164  -7.557   3.851
  725   HG23  VAL 121          HG23      VAL 121  -3.760  -8.778   2.721
  726    H    GLY 122           HN       GLY 122  -1.649  -8.285  -0.769
  727    HA2  GLY 122           HA1      GLY 122   0.426  -6.643  -1.582
  728    HA3  GLY 122           HA2      GLY 122  -0.487  -7.718  -2.638
  729    H    ASP 123           HN       ASP 123  -3.012  -6.563  -2.537
  730    HA   ASP 123           HA       ASP 123  -2.610  -4.390  -4.352
  731    HB2  ASP 123           HB2      ASP 123  -4.383  -6.083  -4.701
  732    HB3  ASP 123           HB3      ASP 123  -5.209  -5.495  -3.257
  733    H    ILE 124           HN       ILE 124  -3.857  -4.744  -1.058
  734    HA   ILE 124           HA       ILE 124  -4.452  -2.145  -0.422
  735    HB   ILE 124           HB       ILE 124  -3.225  -4.385   1.129
  736   HG12  ILE 124          HG12      ILE 124  -5.701  -2.703   1.575
  737   HG13  ILE 124          HG13      ILE 124  -5.667  -4.229   0.693
  738   HG21  ILE 124          HG21      ILE 124  -3.105  -3.067   3.163
  739   HG22  ILE 124          HG22      ILE 124  -2.054  -2.353   1.938
  740   HG23  ILE 124          HG23      ILE 124  -3.619  -1.623   2.292
  741   HD11  ILE 124          HD11      ILE 124  -6.456  -4.415   3.036
  742   HD12  ILE 124          HD12      ILE 124  -5.058  -5.431   2.670
  743   HD13  ILE 124          HD13      ILE 124  -4.846  -3.925   3.571
  744    H    LEU 125           HN       LEU 125  -1.251  -3.604   0.023
  745    HA   LEU 125           HA       LEU 125   0.102  -1.192   0.337
  746    HB2  LEU 125           HB2      LEU 125   0.804  -4.002  -0.238
  747    HB3  LEU 125           HB3      LEU 125   2.029  -2.789  -0.599
  748    HG   LEU 125           HG       LEU 125   0.665  -3.057   2.071
  749   HD11  LEU 125          HD11      LEU 125   3.369  -4.048   1.179
  750   HD12  LEU 125          HD12      LEU 125   2.747  -4.084   2.830
  751   HD13  LEU 125          HD13      LEU 125   1.976  -5.056   1.575
  752   HD21  LEU 125          HD21      LEU 125   3.102  -1.531   1.156
  753   HD22  LEU 125          HD22      LEU 125   1.532  -0.835   1.561
  754   HD23  LEU 125          HD23      LEU 125   2.500  -1.615   2.813
  755    H    TRP 126           HN       TRP 126  -0.627  -3.080  -2.555
  756    HA   TRP 126           HA       TRP 126   0.972  -1.603  -4.325
  757    HB2  TRP 126           HB2      TRP 126   0.102  -3.741  -5.025
  758    HB3  TRP 126           HB3      TRP 126  -1.559  -3.174  -4.842
  759    HD1  TRP 126           HD1      TRP 126  -2.660  -2.293  -6.944
  760    HE1  TRP 126           HE1      TRP 126  -1.841  -1.403  -9.234
  761    HE3  TRP 126           HE3      TRP 126   2.367  -2.534  -6.146
  762    HZ2  TRP 126           HZ2      TRP 126   0.644  -0.884 -10.505
  763    HZ3  TRP 126           HZ3      TRP 126   3.898  -1.835  -7.936
  764    HH2  TRP 126           HH2      TRP 126   3.051  -1.033 -10.078
  765    H    GLU 127           HN       GLU 127  -2.364  -1.101  -3.209
  766    HA   GLU 127           HA       GLU 127  -2.962   1.097  -4.817
  767    HB2  GLU 127           HB2      GLU 127  -3.905   0.174  -2.167
  768    HB3  GLU 127           HB3      GLU 127  -4.155   1.878  -2.538
  769    HG2  GLU 127           HG2      GLU 127  -5.063  -0.429  -4.226
  770    HG3  GLU 127           HG3      GLU 127  -6.077   0.511  -3.128
  771    H    HIS 128           HN       HIS 128  -1.638   1.165  -1.474
  772    HA   HIS 128           HA       HIS 128  -1.124   3.930  -1.639
  773    HB2  HIS 128           HB2      HIS 128  -1.105   2.515   0.507
  774    HB3  HIS 128           HB3      HIS 128   0.555   2.098   0.074
  775    HD1  HIS 128           HD1      HIS 128   0.783   3.470   2.530
  776    HD2  HIS 128           HD2      HIS 128   0.069   5.675  -0.929
  777    HE1  HIS 128           HE1      HIS 128   1.402   5.843   3.101
  778    HE2  HIS 128           HE2      HIS 128   1.150   7.120   0.931
  779    H    LEU 129           HN       LEU 129   0.819   1.147  -2.641
  780    HA   LEU 129           HA       LEU 129   3.168   2.439  -3.283
  781    HB2  LEU 129           HB2      LEU 129   2.678  -0.011  -3.515
  782    HB3  LEU 129           HB3      LEU 129   1.733   0.353  -4.944
  783    HG   LEU 129           HG       LEU 129   3.590   0.726  -6.251
  784   HD11  LEU 129          HD11      LEU 129   5.720   1.498  -5.417
  785   HD12  LEU 129          HD12      LEU 129   4.434   2.530  -4.788
  786   HD13  LEU 129          HD13      LEU 129   5.170   1.308  -3.752
  787   HD21  LEU 129          HD21      LEU 129   4.756  -1.018  -4.086
  788   HD22  LEU 129          HD22      LEU 129   3.647  -1.586  -5.338
  789   HD23  LEU 129          HD23      LEU 129   5.237  -0.966  -5.783
  790    H    GLU 130           HN       GLU 130   0.266   1.968  -5.204
  791    HA   GLU 130           HA       GLU 130   1.047   3.537  -7.349
  792    HB2  GLU 130           HB2      GLU 130  -0.771   1.861  -7.432
  793    HB3  GLU 130           HB3      GLU 130  -1.745   2.861  -6.368
  794    HG2  GLU 130           HG2      GLU 130  -2.548   3.120  -8.587
  795    HG3  GLU 130           HG3      GLU 130  -1.745   4.619  -8.123
  796    H    ILE 131           HN       ILE 131  -0.708   4.290  -4.434
  797    HA   ILE 131           HA       ILE 131  -1.398   6.927  -5.045
  798    HB   ILE 131           HB       ILE 131  -1.146   5.389  -2.508
  799   HG12  ILE 131          HG12      ILE 131  -3.510   5.819  -2.286
  800   HG13  ILE 131          HG13      ILE 131  -3.475   6.994  -3.595
  801   HG21  ILE 131          HG21      ILE 131  -2.028   7.444  -1.322
  802   HG22  ILE 131          HG22      ILE 131  -0.322   7.489  -1.786
  803   HG23  ILE 131          HG23      ILE 131  -1.517   8.366  -2.746
  804   HD11  ILE 131          HD11      ILE 131  -4.530   5.019  -4.388
  805   HD12  ILE 131          HD12      ILE 131  -2.945   5.112  -5.153
  806   HD13  ILE 131          HD13      ILE 131  -3.213   4.003  -3.804
  807    H    LEU 132           HN       LEU 132   1.505   5.664  -3.349
  808    HA   LEU 132           HA       LEU 132   2.626   8.042  -2.522
  809    HB2  LEU 132           HB2      LEU 132   4.207   5.785  -3.705
  810    HB3  LEU 132           HB3      LEU 132   4.795   7.004  -2.594
  811    HG   LEU 132           HG       LEU 132   2.533   5.351  -1.662
  812   HD11  LEU 132          HD11      LEU 132   4.029   3.501  -1.121
  813   HD12  LEU 132          HD12      LEU 132   3.941   3.763  -2.866
  814   HD13  LEU 132          HD13      LEU 132   5.351   4.316  -1.960
  815   HD21  LEU 132          HD21      LEU 132   5.121   6.307  -0.406
  816   HD22  LEU 132          HD22      LEU 132   3.527   7.037  -0.201
  817   HD23  LEU 132          HD23      LEU 132   3.848   5.421   0.435
  818    H    GLN 133           HN       GLN 133   2.595   6.640  -5.645
  819    HA   GLN 133           HA       GLN 133   4.372   8.698  -6.698
  820    HB2  GLN 133           HB2      GLN 133   4.234   7.331  -8.831
  821    HB3  GLN 133           HB3      GLN 133   5.035   6.566  -7.467
  822    HG2  GLN 133           HG2      GLN 133   2.631   5.593  -7.038
  823    HG3  GLN 133           HG3      GLN 133   2.440   5.931  -8.751
  824   HE21  GLN 133          HE21      GLN 133   2.839   3.559  -6.863
  825   HE22  GLN 133          HE22      GLN 133   3.932   2.544  -7.743
  826    H    LYS 134           HN       LYS 134   0.968   7.744  -6.677
  827    HA   LYS 134           HA       LYS 134   0.074   9.126  -8.856
  828    HB2  LYS 134           HB2      LYS 134  -1.834   8.267  -8.124
  829    HB3  LYS 134           HB3      LYS 134  -1.016   7.757  -6.661
  830    HG2  LYS 134           HG2      LYS 134  -2.176  10.512  -6.874
  831    HG3  LYS 134           HG3      LYS 134  -3.195   9.126  -6.492
  832    HD2  LYS 134           HD2      LYS 134  -1.548   8.610  -4.622
  833    HD3  LYS 134           HD3      LYS 134  -0.859  10.200  -4.930
  834    HE2  LYS 134           HE2      LYS 134  -3.773   9.770  -4.321
  835    HE3  LYS 134           HE3      LYS 134  -2.560  10.060  -3.074
  836    HZ1  LYS 134           HZ1      LYS 134  -2.113  12.193  -3.942
  837    HZ2  LYS 134           HZ2      LYS 134  -3.799  12.066  -3.834
  838    HZ3  LYS 134           HZ3      LYS 134  -3.033  11.919  -5.344
  839    H    GLU 135           HN       GLU 135   1.235  10.534  -5.864
  840    HA   GLU 135           HA       GLU 135   0.005  13.057  -6.568
  841    HB2  GLU 135           HB2      GLU 135   1.107  13.907  -4.541
  842    HB3  GLU 135           HB3      GLU 135   0.069  12.522  -4.256
  843    HG2  GLU 135           HG2      GLU 135   1.987  11.070  -4.080
  844    HG3  GLU 135           HG3      GLU 135   3.065  12.409  -4.477
  845    H    ASP 136           HN       ASP 136   2.687  11.440  -7.579
  846    HA   ASP 136           HA       ASP 136   3.817  13.962  -8.584
  847    HB2  ASP 136           HB2      ASP 136   5.156  12.659  -6.682
  848    HB3  ASP 136           HB3      ASP 136   5.667  11.675  -8.051
  849    H    VAL 137           HN       VAL 137   1.946  11.909  -9.515
  850    HA   VAL 137           HA       VAL 137   3.390  10.391 -11.517
  851    HB   VAL 137           HB       VAL 137   1.542   9.403 -10.143
  852   HG11  VAL 137          HG11      VAL 137  -0.204  11.224 -11.774
  853   HG12  VAL 137          HG12      VAL 137  -0.782   9.860 -10.814
  854   HG13  VAL 137          HG13      VAL 137   0.014  11.218 -10.020
  855   HG21  VAL 137          HG21      VAL 137   1.125   9.373 -13.131
  856   HG22  VAL 137          HG22      VAL 137   2.230   8.346 -12.219
  857   HG23  VAL 137          HG23      VAL 137   0.488   8.183 -11.996
  858    H    LYS 138           HN       LYS 138   1.690  13.302 -11.204
  859    HA   LYS 138           HA       LYS 138   2.415  14.142 -13.811
  860    HB2  LYS 138           HB2      LYS 138   0.134  12.799 -14.002
  861    HB3  LYS 138           HB3      LYS 138  -0.547  14.294 -13.378
  862    HG2  LYS 138           HG2      LYS 138   1.032  13.945 -15.919
  863    HG3  LYS 138           HG3      LYS 138  -0.689  14.297 -15.776
  864    HD2  LYS 138           HD2      LYS 138  -0.126  16.450 -14.703
  865    HD3  LYS 138           HD3      LYS 138   1.587  16.095 -14.941
  866    HE2  LYS 138           HE2      LYS 138   0.873  17.556 -16.695
  867    HE3  LYS 138           HE3      LYS 138   1.148  15.957 -17.387
  868    HZ1  LYS 138           HZ1      LYS 138  -0.915  17.068 -18.154
  869    HZ2  LYS 138           HZ2      LYS 138  -1.525  16.958 -16.573
  870    HZ3  LYS 138           HZ3      LYS 138  -1.181  15.551 -17.452
  Start of MODEL   25
    1    H1   MET  29           H1       MET  29 -36.901   2.138   5.868
    2    H2   MET  29           H2       MET  29 -37.073   1.997   4.188
    3    H3   MET  29           H3       MET  29 -35.946   3.087   4.833
    4    HA   MET  29           HA       MET  29 -34.833   1.138   3.995
    5    HB2  MET  29           HB2      MET  29 -34.873   1.108   7.024
    6    HB3  MET  29           HB3      MET  29 -33.586   0.509   5.991
    7    HG2  MET  29           HG2      MET  29 -32.830   2.563   6.799
    8    HG3  MET  29           HG3      MET  29 -33.345   2.876   5.144
    9    HE1  MET  29           HE1      MET  29 -34.144   3.290   8.936
   10    HE2  MET  29           HE2      MET  29 -35.709   4.104   8.916
   11    HE3  MET  29           HE3      MET  29 -35.583   2.425   8.397
   12    H    GLU  30           HN       GLU  30 -35.025  -0.954   3.471
   13    HA   GLU  30           HA       GLU  30 -37.207  -2.537   4.308
   14    HB2  GLU  30           HB2      GLU  30 -34.598  -3.434   3.069
   15    HB3  GLU  30           HB3      GLU  30 -36.078  -4.380   3.151
   16    HG2  GLU  30           HG2      GLU  30 -37.186  -2.589   1.793
   17    HG3  GLU  30           HG3      GLU  30 -35.590  -1.871   1.571
   18    H    CYS  31           HN       CYS  31 -37.445  -3.920   5.977
   19    HA   CYS  31           HA       CYS  31 -35.441  -3.744   8.059
   20    HB2  CYS  31           HB2      CYS  31 -37.200  -4.895   9.438
   21    HB3  CYS  31           HB3      CYS  31 -37.686  -3.348   8.753
   22    HG   CYS  31           HG       CYS  31 -39.382  -5.999   8.688
   23    H    ALA  32           HN       ALA  32 -36.488  -6.085   5.733
   24    HA   ALA  32           HA       ALA  32 -35.625  -8.408   7.140
   25    HB1  ALA  32           HB1      ALA  32 -35.954  -8.006   4.164
   26    HB2  ALA  32           HB2      ALA  32 -35.800  -9.555   4.992
   27    HB3  ALA  32           HB3      ALA  32 -37.211  -8.538   5.280
   28    H    ASP  33           HN       ASP  33 -34.179  -7.039   4.181
   29    HA   ASP  33           HA       ASP  33 -31.534  -7.476   5.412
   30    HB2  ASP  33           HB2      ASP  33 -32.126  -9.004   3.452
   31    HB3  ASP  33           HB3      ASP  33 -32.092  -7.562   2.442
   32    H    VAL  34           HN       VAL  34 -31.091  -5.481   6.125
   33    HA   VAL  34           HA       VAL  34 -32.109  -3.116   5.054
   34    HB   VAL  34           HB       VAL  34 -31.343  -3.238   7.349
   35   HG11  VAL  34          HG11      VAL  34 -28.555  -3.458   6.223
   36   HG12  VAL  34          HG12      VAL  34 -28.964  -3.252   7.925
   37   HG13  VAL  34          HG13      VAL  34 -29.439  -4.723   7.078
   38   HG21  VAL  34          HG21      VAL  34 -31.427  -1.045   6.307
   39   HG22  VAL  34          HG22      VAL  34 -30.114  -1.126   7.481
   40   HG23  VAL  34          HG23      VAL  34 -29.762  -1.226   5.754
   41    HA   PRO  35           HA       PRO  35 -29.525  -2.638   1.463
   42    HB2  PRO  35           HB2      PRO  35 -30.449  -0.192   0.744
   43    HB3  PRO  35           HB3      PRO  35 -31.355  -1.683   0.458
   44    HG2  PRO  35           HG2      PRO  35 -31.654   0.324   2.658
   45    HG3  PRO  35           HG3      PRO  35 -32.913  -0.480   1.702
   46    HD2  PRO  35           HD2      PRO  35 -32.260  -1.288   4.194
   47    HD3  PRO  35           HD3      PRO  35 -32.782  -2.427   2.937
   48    H    LEU  36           HN       LEU  36 -27.486  -2.057   1.451
   49    HA   LEU  36           HA       LEU  36 -26.595   0.568   2.035
   50    HB2  LEU  36           HB2      LEU  36 -25.004  -0.130   3.876
   51    HB3  LEU  36           HB3      LEU  36 -26.688   0.040   4.320
   52    HG   LEU  36           HG       LEU  36 -26.813  -2.526   3.990
   53   HD11  LEU  36          HD11      LEU  36 -24.729  -3.711   4.436
   54   HD12  LEU  36          HD12      LEU  36 -24.644  -2.818   2.917
   55   HD13  LEU  36          HD13      LEU  36 -23.840  -2.189   4.354
   56   HD21  LEU  36          HD21      LEU  36 -27.039  -1.397   6.126
   57   HD22  LEU  36          HD22      LEU  36 -26.092  -2.876   6.298
   58   HD23  LEU  36          HD23      LEU  36 -25.284  -1.309   6.281
   59    H    LEU  37           HN       LEU  37 -24.256   0.793   1.674
   60    HA   LEU  37           HA       LEU  37 -23.361  -1.072  -0.356
   61    HB2  LEU  37           HB2      LEU  37 -22.032   1.406   0.753
   62    HB3  LEU  37           HB3      LEU  37 -21.457   0.477  -0.618
   63    HG   LEU  37           HG       LEU  37 -23.981   2.121  -0.457
   64   HD11  LEU  37          HD11      LEU  37 -21.929   3.374  -0.868
   65   HD12  LEU  37          HD12      LEU  37 -21.548   2.315  -2.225
   66   HD13  LEU  37          HD13      LEU  37 -22.967   3.361  -2.294
   67   HD21  LEU  37          HD21      LEU  37 -24.414   1.413  -2.761
   68   HD22  LEU  37          HD22      LEU  37 -23.055   0.293  -2.670
   69   HD23  LEU  37          HD23      LEU  37 -24.465   0.051  -1.641
   70    H    THR  38           HN       THR  38 -22.954  -2.940   0.718
   71    HA   THR  38           HA       THR  38 -21.602  -3.260   3.133
   72    HB   THR  38           HB       THR  38 -21.275  -5.388   1.100
   73    HG1  THR  38           HG1      THR  38 -23.633  -5.825   1.360
   74   HG21  THR  38          HG21      THR  38 -22.489  -5.287   3.864
   75   HG22  THR  38          HG22      THR  38 -20.835  -5.765   3.478
   76   HG23  THR  38          HG23      THR  38 -22.192  -6.750   2.928
   77    HA   PRO  39           HA       PRO  39 -17.472  -2.424   1.619
   78    HB2  PRO  39           HB2      PRO  39 -16.643  -2.321   4.373
   79    HB3  PRO  39           HB3      PRO  39 -16.853  -0.974   3.246
   80    HG2  PRO  39           HG2      PRO  39 -18.427  -1.403   5.457
   81    HG3  PRO  39           HG3      PRO  39 -18.940  -0.493   4.025
   82    HD2  PRO  39           HD2      PRO  39 -19.528  -3.333   4.781
   83    HD3  PRO  39           HD3      PRO  39 -20.598  -2.115   4.050
   84    H    SER  40           HN       SER  40 -18.027  -4.983   1.279
   85    HA   SER  40           HA       SER  40 -17.004  -6.688   3.320
   86    HB2  SER  40           HB2      SER  40 -17.366  -8.442   1.468
   87    HB3  SER  40           HB3      SER  40 -18.779  -7.570   2.068
   88    HG   SER  40           HG       SER  40 -17.889  -7.703  -0.426
   89    H    SER  41           HN       SER  41 -15.890  -6.311  -0.098
   90    HA   SER  41           HA       SER  41 -13.425  -7.611   0.740
   91    HB2  SER  41           HB2      SER  41 -12.994  -7.554  -1.791
   92    HB3  SER  41           HB3      SER  41 -14.323  -8.558  -1.207
   93    HG   SER  41           HG       SER  41 -15.675  -7.355  -2.275
   94    H    LYS  42           HN       LYS  42 -13.912  -4.915  -1.580
   95    HA   LYS  42           HA       LYS  42 -11.272  -3.975  -0.798
   96    HB2  LYS  42           HB2      LYS  42 -12.074  -4.212  -3.242
   97    HB3  LYS  42           HB3      LYS  42 -12.890  -2.674  -2.953
   98    HG2  LYS  42           HG2      LYS  42 -10.744  -1.654  -2.307
   99    HG3  LYS  42           HG3      LYS  42  -9.942  -3.195  -2.601
  100    HD2  LYS  42           HD2      LYS  42 -10.726  -3.060  -4.980
  101    HD3  LYS  42           HD3      LYS  42 -11.271  -1.414  -4.631
  102    HE2  LYS  42           HE2      LYS  42  -8.991  -0.808  -3.963
  103    HE3  LYS  42           HE3      LYS  42  -8.452  -2.446  -4.322
  104    HZ1  LYS  42           HZ1      LYS  42  -9.198  -2.049  -6.648
  105    HZ2  LYS  42           HZ2      LYS  42  -7.896  -1.087  -6.156
  106    HZ3  LYS  42           HZ3      LYS  42  -9.454  -0.420  -6.244
  107    H    GLU  43           HN       GLU  43 -14.545  -3.072  -0.311
  108    HA   GLU  43           HA       GLU  43 -14.305  -0.296  -0.291
  109    HB2  GLU  43           HB2      GLU  43 -16.394  -1.805  -0.177
  110    HB3  GLU  43           HB3      GLU  43 -16.127  -1.774   1.560
  111    HG2  GLU  43           HG2      GLU  43 -17.755  -0.119   0.966
  112    HG3  GLU  43           HG3      GLU  43 -16.280   0.677   1.519
  113    H    MET  44           HN       MET  44 -13.527  -2.684   2.168
  114    HA   MET  44           HA       MET  44 -13.112  -0.984   4.323
  115    HB2  MET  44           HB2      MET  44 -11.791  -3.570   3.537
  116    HB3  MET  44           HB3      MET  44 -11.451  -2.753   5.064
  117    HG2  MET  44           HG2      MET  44 -13.776  -2.889   5.690
  118    HG3  MET  44           HG3      MET  44 -14.180  -3.604   4.135
  119    HE1  MET  44           HE1      MET  44 -14.902  -6.645   6.208
  120    HE2  MET  44           HE2      MET  44 -15.185  -5.003   6.791
  121    HE3  MET  44           HE3      MET  44 -15.456  -5.388   5.092
  122    H    MET  45           HN       MET  45 -10.626  -2.010   1.901
  123    HA   MET  45           HA       MET  45  -8.755  -0.098   2.868
  124    HB2  MET  45           HB2      MET  45  -7.477  -0.447   0.830
  125    HB3  MET  45           HB3      MET  45  -8.001  -1.994   1.499
  126    HG2  MET  45           HG2      MET  45  -9.896  -1.919  -0.152
  127    HG3  MET  45           HG3      MET  45  -9.090  -0.526  -0.878
  128    HE1  MET  45           HE1      MET  45  -6.788  -0.592  -2.028
  129    HE2  MET  45           HE2      MET  45  -6.023  -1.292  -0.604
  130    HE3  MET  45           HE3      MET  45  -5.773  -2.027  -2.188
  131    H    SER  46           HN       SER  46 -11.274   0.045   0.417
  132    HA   SER  46           HA       SER  46 -10.659   2.491  -0.713
  133    HB2  SER  46           HB2      SER  46 -12.479   0.980  -1.462
  134    HB3  SER  46           HB3      SER  46 -13.432   1.469  -0.062
  135    HG   SER  46           HG       SER  46 -14.110   2.993  -1.342
  136    H    GLN  47           HN       GLN  47 -12.638   1.870   2.206
  137    HA   GLN  47           HA       GLN  47 -12.715   4.661   2.826
  138    HB2  GLN  47           HB2      GLN  47 -13.807   4.010   4.917
  139    HB3  GLN  47           HB3      GLN  47 -14.560   3.246   3.528
  140    HG2  GLN  47           HG2      GLN  47 -13.434   1.159   4.041
  141    HG3  GLN  47           HG3      GLN  47 -12.610   1.922   5.400
  142   HE21  GLN  47          HE21      GLN  47 -14.409  -0.367   5.358
  143   HE22  GLN  47          HE22      GLN  47 -15.705   0.027   6.427
  144    H    ALA  48           HN       ALA  48 -10.919   1.892   4.237
  145    HA   ALA  48           HA       ALA  48  -9.695   3.535   6.217
  146    HB1  ALA  48           HB1      ALA  48  -8.384   1.594   6.816
  147    HB2  ALA  48           HB2      ALA  48 -10.068   1.131   6.563
  148    HB3  ALA  48           HB3      ALA  48  -8.860   0.782   5.323
  149    H    LEU  49           HN       LEU  49  -8.343   2.034   3.196
  150    HA   LEU  49           HA       LEU  49  -5.714   2.942   3.752
  151    HB2  LEU  49           HB2      LEU  49  -7.092   1.483   1.630
  152    HB3  LEU  49           HB3      LEU  49  -5.909   2.621   1.005
  153    HG   LEU  49           HG       LEU  49  -5.434   0.295   2.835
  154   HD11  LEU  49          HD11      LEU  49  -5.615  -0.153   0.461
  155   HD12  LEU  49          HD12      LEU  49  -4.396   1.071   0.123
  156   HD13  LEU  49          HD13      LEU  49  -3.955  -0.384   1.014
  157   HD21  LEU  49          HD21      LEU  49  -3.075   0.962   2.906
  158   HD22  LEU  49          HD22      LEU  49  -3.474   2.457   2.063
  159   HD23  LEU  49          HD23      LEU  49  -4.106   2.165   3.682
  160    H    LYS  50           HN       LYS  50  -8.160   3.950   1.411
  161    HA   LYS  50           HA       LYS  50  -6.585   5.903   0.253
  162    HB2  LYS  50           HB2      LYS  50  -9.599   5.922   0.361
  163    HB3  LYS  50           HB3      LYS  50  -8.573   6.651  -0.869
  164    HG2  LYS  50           HG2      LYS  50  -8.859   3.703  -0.311
  165    HG3  LYS  50           HG3      LYS  50  -9.555   4.578  -1.672
  166    HD2  LYS  50           HD2      LYS  50  -6.589   4.276  -1.121
  167    HD3  LYS  50           HD3      LYS  50  -7.503   3.335  -2.299
  168    HE2  LYS  50           HE2      LYS  50  -7.047   6.320  -2.323
  169    HE3  LYS  50           HE3      LYS  50  -6.322   5.133  -3.405
  170    HZ1  LYS  50           HZ1      LYS  50  -8.619   4.592  -4.155
  171    HZ2  LYS  50           HZ2      LYS  50  -8.111   6.161  -4.546
  172    HZ3  LYS  50           HZ3      LYS  50  -9.185   5.918  -3.257
  173    H    ALA  51           HN       ALA  51  -8.634   6.016   3.062
  174    HA   ALA  51           HA       ALA  51  -8.378   8.862   3.462
  175    HB1  ALA  51           HB1      ALA  51  -9.450   8.471   5.608
  176    HB2  ALA  51           HB2      ALA  51 -10.328   7.659   4.311
  177    HB3  ALA  51           HB3      ALA  51  -9.286   6.729   5.386
  178    H    THR  52           HN       THR  52  -6.789   5.940   4.679
  179    HA   THR  52           HA       THR  52  -5.522   7.224   6.876
  180    HB   THR  52           HB       THR  52  -6.078   4.767   6.737
  181    HG1  THR  52           HG1      THR  52  -4.759   5.226   8.410
  182   HG21  THR  52          HG21      THR  52  -4.454   3.274   5.679
  183   HG22  THR  52          HG22      THR  52  -3.556   4.667   5.072
  184   HG23  THR  52          HG23      THR  52  -5.185   4.344   4.480
  185    H    PHE  53           HN       PHE  53  -4.756   7.291   3.597
  186    HA   PHE  53           HA       PHE  53  -2.087   6.699   3.456
  187    HB2  PHE  53           HB2      PHE  53  -3.650   8.754   1.908
  188    HB3  PHE  53           HB3      PHE  53  -1.988   8.321   1.520
  189    HD1  PHE  53           HD2      PHE  53  -2.167   5.392   2.104
  190    HD2  PHE  53           HD1      PHE  53  -4.748   8.014  -0.018
  191    HE1  PHE  53           HE2      PHE  53  -2.984   3.503   0.765
  192    HE2  PHE  53           HE1      PHE  53  -5.580   6.127  -1.354
  193    HZ   PHE  53           HZ       PHE  53  -4.641   3.884  -1.023
  194    H    SER  54           HN       SER  54  -3.517   9.627   4.682
  195    HA   SER  54           HA       SER  54  -1.251  11.278   4.541
  196    HB2  SER  54           HB2      SER  54  -3.535  11.375   6.525
  197    HB3  SER  54           HB3      SER  54  -2.433  12.697   6.139
  198    HG   SER  54           HG       SER  54  -4.696  12.095   4.930
  199    H    GLY  55           HN       GLY  55  -2.093   8.692   6.696
  200    HA2  GLY  55           HA1      GLY  55  -0.603   9.291   8.951
  201    HA3  GLY  55           HA2      GLY  55  -0.911   7.669   8.354
  202    H    PHE  56           HN       PHE  56   0.575   7.108   6.360
  203    HA   PHE  56           HA       PHE  56   3.230   7.252   7.440
  204    HB2  PHE  56           HB2      PHE  56   2.435   5.191   6.342
  205    HB3  PHE  56           HB3      PHE  56   2.344   6.054   4.808
  206    HD1  PHE  56           HD1      PHE  56   4.613   4.721   7.373
  207    HD2  PHE  56           HD2      PHE  56   4.301   6.532   3.537
  208    HE1  PHE  56           HE1      PHE  56   6.982   4.219   6.944
  209    HE2  PHE  56           HE2      PHE  56   6.666   6.042   3.105
  210    HZ   PHE  56           HZ       PHE  56   8.013   4.874   4.808
  211    H    THR  57           HN       THR  57   1.604   8.587   4.646
  212    HA   THR  57           HA       THR  57   3.891   9.561   3.298
  213    HB   THR  57           HB       THR  57   1.068  10.607   3.250
  214    HG1  THR  57           HG1      THR  57   2.361   8.803   1.456
  215   HG21  THR  57          HG21      THR  57   3.306  10.942   1.242
  216   HG22  THR  57          HG22      THR  57   2.631  12.213   2.263
  217   HG23  THR  57          HG23      THR  57   1.637  11.466   1.013
  218    H    LYS  58           HN       LYS  58   2.243  10.631   6.064
  219    HA   LYS  58           HA       LYS  58   3.138  13.389   6.047
  220    HB2  LYS  58           HB2      LYS  58   1.112  12.728   7.266
  221    HB3  LYS  58           HB3      LYS  58   2.061  11.661   8.284
  222    HG2  LYS  58           HG2      LYS  58   3.327  13.762   8.998
  223    HG3  LYS  58           HG3      LYS  58   1.996  14.655   8.253
  224    HD2  LYS  58           HD2      LYS  58   1.823  12.649  10.497
  225    HD3  LYS  58           HD3      LYS  58   1.509  14.384  10.590
  226    HE2  LYS  58           HE2      LYS  58  -0.462  14.198   9.308
  227    HE3  LYS  58           HE3      LYS  58  -0.057  12.564   8.783
  228    HZ1  LYS  58           HZ1      LYS  58  -0.379  11.788  11.041
  229    HZ2  LYS  58           HZ2      LYS  58  -1.778  12.571  10.478
  230    HZ3  LYS  58           HZ3      LYS  58  -0.741  13.364  11.560
  231    H    GLU  59           HN       GLU  59   4.027  10.372   7.653
  232    HA   GLU  59           HA       GLU  59   6.209  11.645   9.070
  233    HB2  GLU  59           HB2      GLU  59   6.010   9.938  10.505
  234    HB3  GLU  59           HB3      GLU  59   4.584   9.450   9.599
  235    HG2  GLU  59           HG2      GLU  59   5.905   7.960   8.250
  236    HG3  GLU  59           HG3      GLU  59   7.385   8.497   9.065
  237    H    GLN  60           HN       GLN  60   5.620   9.915   6.195
  238    HA   GLN  60           HA       GLN  60   8.101   8.921   5.461
  239    HB2  GLN  60           HB2      GLN  60   5.770   8.974   4.238
  240    HB3  GLN  60           HB3      GLN  60   6.384  10.457   3.530
  241    HG2  GLN  60           HG2      GLN  60   8.199   9.298   2.515
  242    HG3  GLN  60           HG3      GLN  60   7.759   7.798   3.336
  243   HE21  GLN  60          HE21      GLN  60   7.976   8.327   0.504
  244   HE22  GLN  60          HE22      GLN  60   6.431   7.977  -0.180
  245    H    GLN  61           HN       GLN  61   6.702  12.110   5.045
  246    HA   GLN  61           HA       GLN  61   8.946  13.434   3.998
  247    HB2  GLN  61           HB2      GLN  61   6.713  14.486   5.741
  248    HB3  GLN  61           HB3      GLN  61   7.856  15.497   4.863
  249    HG2  GLN  61           HG2      GLN  61   5.828  13.615   3.672
  250    HG3  GLN  61           HG3      GLN  61   5.790  15.377   3.643
  251   HE21  GLN  61          HE21      GLN  61   7.207  12.518   2.307
  252   HE22  GLN  61          HE22      GLN  61   8.018  13.282   0.988
  253    H    ARG  62           HN       ARG  62   7.896  12.806   7.292
  254    HA   ARG  62           HA       ARG  62   9.768  14.443   8.632
  255    HB2  ARG  62           HB2      ARG  62   7.661  13.606   9.619
  256    HB3  ARG  62           HB3      ARG  62   8.328  11.981   9.616
  257    HG2  ARG  62           HG2      ARG  62   8.590  12.700  11.809
  258    HG3  ARG  62           HG3      ARG  62  10.184  12.915  11.089
  259    HD2  ARG  62           HD2      ARG  62   8.129  15.095  11.442
  260    HD3  ARG  62           HD3      ARG  62   9.493  14.809  12.518
  261    HE   ARG  62           HE       ARG  62   9.567  15.961   9.840
  262   HH11  ARG  62          HH12      ARG  62  11.330  14.821  12.651
  263   HH12  ARG  62          HH11      ARG  62  12.819  15.580  12.181
  264   HH21  ARG  62          HH22      ARG  62  11.507  17.004   9.250
  265   HH22  ARG  62          HH21      ARG  62  12.923  16.830  10.249
  266    H    LEU  63           HN       LEU  63   9.706  10.979   7.936
  267    HA   LEU  63           HA       LEU  63  12.284  10.464   9.048
  268    HB2  LEU  63           HB2      LEU  63  10.556   8.803   7.240
  269    HB3  LEU  63           HB3      LEU  63  12.018   8.235   8.022
  270    HG   LEU  63           HG       LEU  63   9.500   9.128   9.433
  271   HD11  LEU  63          HD11      LEU  63   9.247   6.987   8.282
  272   HD12  LEU  63          HD12      LEU  63  10.691   6.380   9.090
  273   HD13  LEU  63          HD13      LEU  63   9.254   6.783  10.033
  274   HD21  LEU  63          HD21      LEU  63  12.064   7.977  10.530
  275   HD22  LEU  63          HD22      LEU  63  11.487   9.630  10.744
  276   HD23  LEU  63          HD23      LEU  63  10.594   8.286  11.456
  277    H    GLY  64           HN       GLY  64  11.564  12.229   6.520
  278    HA2  GLY  64           HA1      GLY  64  12.764  12.972   4.715
  279    HA3  GLY  64           HA2      GLY  64  14.150  12.127   5.397
  280    H    ILE  65           HN       ILE  65  11.255  10.401   4.766
  281    HA   ILE  65           HA       ILE  65  12.649   8.716   2.928
  282    HB   ILE  65           HB       ILE  65   9.785   8.586   3.880
  283   HG12  ILE  65          HG12      ILE  65  12.275   7.072   4.693
  284   HG13  ILE  65          HG13      ILE  65  11.323   8.164   5.694
  285   HG21  ILE  65          HG21      ILE  65   9.767   6.317   2.950
  286   HG22  ILE  65          HG22      ILE  65  10.023   7.530   1.698
  287   HG23  ILE  65          HG23      ILE  65  11.383   6.574   2.291
  288   HD11  ILE  65          HD11      ILE  65  10.888   5.853   6.276
  289   HD12  ILE  65          HD12      ILE  65   9.443   6.601   5.596
  290   HD13  ILE  65          HD13      ILE  65  10.415   5.504   4.611
  291    HA   PRO  66           HA       PRO  66  11.531  10.996  -0.784
  292    HB2  PRO  66           HB2      PRO  66  11.627   8.218  -1.853
  293    HB3  PRO  66           HB3      PRO  66  12.397   9.683  -2.469
  294    HG2  PRO  66           HG2      PRO  66  13.783   7.796  -1.154
  295    HG3  PRO  66           HG3      PRO  66  14.173   9.521  -1.010
  296    HD2  PRO  66           HD2      PRO  66  12.889   7.703   0.933
  297    HD3  PRO  66           HD3      PRO  66  13.827   9.182   1.216
  298    H    LYS  67           HN       LYS  67   9.546  11.485  -1.563
  299    HA   LYS  67           HA       LYS  67   7.196  10.342  -0.643
  300    HB2  LYS  67           HB2      LYS  67   7.611  12.605  -1.772
  301    HB3  LYS  67           HB3      LYS  67   7.419  11.751  -3.295
  302    HG2  LYS  67           HG2      LYS  67   5.181  10.941  -2.242
  303    HG3  LYS  67           HG3      LYS  67   5.404  12.340  -1.185
  304    HD2  LYS  67           HD2      LYS  67   5.223  12.327  -4.198
  305    HD3  LYS  67           HD3      LYS  67   4.063  13.013  -3.059
  306    HE2  LYS  67           HE2      LYS  67   5.644  14.695  -2.384
  307    HE3  LYS  67           HE3      LYS  67   6.914  13.950  -3.352
  308    HZ1  LYS  67           HZ1      LYS  67   5.480  14.398  -5.331
  309    HZ2  LYS  67           HZ2      LYS  67   6.094  15.784  -4.564
  310    HZ3  LYS  67           HZ3      LYS  67   4.477  15.334  -4.328
  311    H    ASP  68           HN       ASP  68   8.615   9.947  -3.894
  312    HA   ASP  68           HA       ASP  68   6.744   7.980  -4.775
  313    HB2  ASP  68           HB2      ASP  68   9.546   8.603  -5.744
  314    HB3  ASP  68           HB3      ASP  68   8.435   7.514  -6.557
  315    HA   PRO  69           HA       PRO  69   8.789   4.341  -3.201
  316    HB2  PRO  69           HB2      PRO  69   7.932   2.487  -4.921
  317    HB3  PRO  69           HB3      PRO  69   6.829   3.281  -3.793
  318    HG2  PRO  69           HG2      PRO  69   7.229   3.758  -6.709
  319    HG3  PRO  69           HG3      PRO  69   5.731   3.778  -5.762
  320    HD2  PRO  69           HD2      PRO  69   7.177   6.019  -6.537
  321    HD3  PRO  69           HD3      PRO  69   5.985   5.970  -5.224
  322    H    ARG  70           HN       ARG  70   9.198   5.104  -6.625
  323    HA   ARG  70           HA       ARG  70  10.875   2.954  -7.276
  324    HB2  ARG  70           HB2      ARG  70  11.347   4.184  -9.378
  325    HB3  ARG  70           HB3      ARG  70   9.640   4.005  -9.016
  326    HG2  ARG  70           HG2      ARG  70  10.993   6.507  -8.159
  327    HG3  ARG  70           HG3      ARG  70  10.660   6.280  -9.876
  328    HD2  ARG  70           HD2      ARG  70   8.626   6.133  -7.647
  329    HD3  ARG  70           HD3      ARG  70   8.852   7.496  -8.743
  330    HE   ARG  70           HE       ARG  70   8.276   4.936  -9.990
  331   HH11  ARG  70          HH12      ARG  70   6.995   8.018  -8.838
  332   HH12  ARG  70          HH11      ARG  70   5.551   7.889  -9.796
  333   HH21  ARG  70          HH22      ARG  70   6.389   4.785 -11.223
  334   HH22  ARG  70          HH21      ARG  70   5.197   6.050 -11.145
  335    H    GLN  71           HN       GLN  71  11.825   5.149  -5.177
  336    HA   GLN  71           HA       GLN  71  14.629   4.813  -5.965
  337    HB2  GLN  71           HB2      GLN  71  15.227   7.070  -5.589
  338    HB3  GLN  71           HB3      GLN  71  13.757   7.149  -6.553
  339    HG2  GLN  71           HG2      GLN  71  13.931   7.498  -3.570
  340    HG3  GLN  71           HG3      GLN  71  13.742   8.785  -4.759
  341   HE21  GLN  71          HE21      GLN  71  12.198   5.987  -3.292
  342   HE22  GLN  71          HE22      GLN  71  10.575   6.456  -3.673
  343    H    TRP  72           HN       TRP  72  12.563   3.848  -3.856
  344    HA   TRP  72           HA       TRP  72  13.629   4.706  -1.360
  345    HB2  TRP  72           HB2      TRP  72  11.657   2.653  -2.318
  346    HB3  TRP  72           HB3      TRP  72  12.267   2.537  -0.669
  347    HD1  TRP  72           HD1      TRP  72  12.189   6.052  -0.936
  348    HE1  TRP  72           HE1      TRP  72   9.933   7.049  -0.211
  349    HE3  TRP  72           HE3      TRP  72   9.343   1.835  -1.137
  350    HZ2  TRP  72           HZ2      TRP  72   7.280   6.153   0.215
  351    HZ3  TRP  72           HZ3      TRP  72   6.963   1.986  -0.563
  352    HH2  TRP  72           HH2      TRP  72   5.955   4.092   0.094
  353    H    THR  73           HN       THR  73  14.652   3.277   0.208
  354    HA   THR  73           HA       THR  73  16.361   1.246  -0.958
  355    HB   THR  73           HB       THR  73  17.290   1.140   1.383
  356    HG1  THR  73           HG1      THR  73  16.587   2.757   2.840
  357   HG21  THR  73          HG21      THR  73  18.435   3.295   1.282
  358   HG22  THR  73          HG22      THR  73  17.229   3.900   0.147
  359   HG23  THR  73          HG23      THR  73  18.313   2.590  -0.330
  360    H    GLU  74           HN       GLU  74  16.560  -0.803   0.562
  361    HA   GLU  74           HA       GLU  74  14.137  -2.180   0.572
  362    HB2  GLU  74           HB2      GLU  74  15.288  -3.872   1.941
  363    HB3  GLU  74           HB3      GLU  74  16.279  -3.337   0.594
  364    HG2  GLU  74           HG2      GLU  74  17.889  -3.199   2.138
  365    HG3  GLU  74           HG3      GLU  74  17.130  -1.660   2.539
  366    H    THR  75           HN       THR  75  15.539  -0.049   2.912
  367    HA   THR  75           HA       THR  75  13.913  -0.879   5.116
  368    HB   THR  75           HB       THR  75  15.337   1.765   4.894
  369    HG1  THR  75           HG1      THR  75  16.392  -0.820   4.987
  370   HG21  THR  75          HG21      THR  75  15.627   1.461   7.311
  371   HG22  THR  75          HG22      THR  75  14.784  -0.086   7.217
  372   HG23  THR  75          HG23      THR  75  13.925   1.414   6.863
  373    H    HIS  76           HN       HIS  76  13.785   1.667   2.658
  374    HA   HIS  76           HA       HIS  76  11.735   3.161   4.010
  375    HB2  HIS  76           HB2      HIS  76  12.839   3.321   1.197
  376    HB3  HIS  76           HB3      HIS  76  11.581   4.392   1.801
  377    HD1  HIS  76           HD1      HIS  76  14.666   5.070   0.924
  378    HD2  HIS  76           HD2      HIS  76  13.019   5.014   4.731
  379    HE1  HIS  76           HE1      HIS  76  16.142   6.544   2.307
  380    HE2  HIS  76           HE2      HIS  76  15.280   6.267   4.665
  381    H    VAL  77           HN       VAL  77  11.887   0.828   1.389
  382    HA   VAL  77           HA       VAL  77   9.197   0.872   0.640
  383    HB   VAL  77           HB       VAL  77  11.286  -1.305   0.471
  384   HG11  VAL  77          HG11      VAL  77   9.071  -2.328   0.536
  385   HG12  VAL  77          HG12      VAL  77   8.538  -1.267  -0.769
  386   HG13  VAL  77          HG13      VAL  77   9.791  -2.470  -1.068
  387   HG21  VAL  77          HG21      VAL  77  11.734   0.676  -0.895
  388   HG22  VAL  77          HG22      VAL  77  11.328  -0.706  -1.916
  389   HG23  VAL  77          HG23      VAL  77  10.128   0.555  -1.615
  390    H    ARG  78           HN       ARG  78  10.964  -1.307   2.855
  391    HA   ARG  78           HA       ARG  78   8.698  -2.794   3.597
  392    HB2  ARG  78           HB2      ARG  78  11.359  -2.390   4.927
  393    HB3  ARG  78           HB3      ARG  78  10.125  -3.455   5.592
  394    HG2  ARG  78           HG2      ARG  78  10.117  -4.657   3.383
  395    HG3  ARG  78           HG3      ARG  78  11.539  -3.709   2.948
  396    HD2  ARG  78           HD2      ARG  78  11.340  -5.462   5.385
  397    HD3  ARG  78           HD3      ARG  78  12.050  -5.970   3.855
  398    HE   ARG  78           HE       ARG  78  13.633  -4.024   4.232
  399   HH11  ARG  78          HH12      ARG  78  12.080  -5.680   6.884
  400   HH12  ARG  78          HH11      ARG  78  13.415  -5.478   7.974
  401   HH21  ARG  78          HH22      ARG  78  15.414  -3.755   5.653
  402   HH22  ARG  78          HH21      ARG  78  15.309  -4.391   7.269
  403    H    ASP  79           HN       ASP  79  10.033   0.167   4.899
  404    HA   ASP  79           HA       ASP  79   8.597   0.365   7.291
  405    HB2  ASP  79           HB2      ASP  79  10.038   2.147   5.486
  406    HB3  ASP  79           HB3      ASP  79   8.680   2.952   6.272
  407    H    TRP  80           HN       TRP  80   7.795   1.385   3.999
  408    HA   TRP  80           HA       TRP  80   5.216   2.399   4.713
  409    HB2  TRP  80           HB2      TRP  80   6.087   3.461   2.861
  410    HB3  TRP  80           HB3      TRP  80   6.854   2.000   2.254
  411    HD1  TRP  80           HD1      TRP  80   3.536   3.898   2.152
  412    HE1  TRP  80           HE1      TRP  80   2.162   2.929   0.201
  413    HE3  TRP  80           HE3      TRP  80   6.470  -0.102   0.987
  414    HZ2  TRP  80           HZ2      TRP  80   2.308   0.766  -1.607
  415    HZ3  TRP  80           HZ3      TRP  80   5.789  -1.582  -0.845
  416    HH2  TRP  80           HH2      TRP  80   3.745  -1.163  -2.108
  417    H    VAL  81           HN       VAL  81   6.613  -0.571   3.688
  418    HA   VAL  81           HA       VAL  81   4.363  -1.925   2.687
  419    HB   VAL  81           HB       VAL  81   7.015  -2.772   3.811
  420   HG11  VAL  81          HG11      VAL  81   4.823  -4.687   3.044
  421   HG12  VAL  81          HG12      VAL  81   6.504  -5.114   3.370
  422   HG13  VAL  81          HG13      VAL  81   5.492  -4.460   4.660
  423   HG21  VAL  81          HG21      VAL  81   6.920  -1.998   1.518
  424   HG22  VAL  81          HG22      VAL  81   7.291  -3.723   1.569
  425   HG23  VAL  81          HG23      VAL  81   5.666  -3.183   1.150
  426    H    MET  82           HN       MET  82   5.931  -2.145   5.864
  427    HA   MET  82           HA       MET  82   3.726  -3.538   6.995
  428    HB2  MET  82           HB2      MET  82   4.795  -3.079   9.195
  429    HB3  MET  82           HB3      MET  82   5.807  -3.917   8.035
  430    HG2  MET  82           HG2      MET  82   7.176  -2.079   7.703
  431    HG3  MET  82           HG3      MET  82   5.972  -0.952   8.330
  432    HE1  MET  82           HE1      MET  82   7.836  -4.240   9.547
  433    HE2  MET  82           HE2      MET  82   7.695  -4.003  11.290
  434    HE3  MET  82           HE3      MET  82   6.242  -4.190  10.304
  435    H    TRP  83           HN       TRP  83   4.131  -0.167   6.358
  436    HA   TRP  83           HA       TRP  83   2.566   0.656   8.610
  437    HB2  TRP  83           HB2      TRP  83   3.912   2.338   7.457
  438    HB3  TRP  83           HB3      TRP  83   3.029   2.069   5.955
  439    HD1  TRP  83           HD1      TRP  83   2.584   3.619   9.432
  440    HE1  TRP  83           HE1      TRP  83   0.593   5.246   9.338
  441    HE3  TRP  83           HE3      TRP  83   0.920   2.584   4.719
  442    HZ2  TRP  83           HZ2      TRP  83  -1.418   5.987   7.500
  443    HZ3  TRP  83           HZ3      TRP  83  -1.043   3.789   3.869
  444    HH2  TRP  83           HH2      TRP  83  -2.181   5.453   5.233
  445    H    ALA  84           HN       ALA  84   1.606   0.350   5.147
  446    HA   ALA  84           HA       ALA  84  -1.134   0.704   5.697
  447    HB1  ALA  84           HB1      ALA  84  -1.562  -0.301   3.513
  448    HB2  ALA  84           HB2      ALA  84  -0.222   0.842   3.419
  449    HB3  ALA  84           HB3      ALA  84   0.100  -0.891   3.443
  450    H    VAL  85           HN       VAL  85   0.931  -2.104   5.538
  451    HA   VAL  85           HA       VAL  85  -0.857  -4.116   6.139
  452    HB   VAL  85           HB       VAL  85   2.073  -3.716   6.537
  453   HG11  VAL  85          HG11      VAL  85   2.340  -5.945   7.508
  454   HG12  VAL  85          HG12      VAL  85   1.451  -4.872   8.591
  455   HG13  VAL  85          HG13      VAL  85   0.588  -6.091   7.652
  456   HG21  VAL  85          HG21      VAL  85   0.427  -5.798   5.119
  457   HG22  VAL  85          HG22      VAL  85   1.203  -4.399   4.380
  458   HG23  VAL  85          HG23      VAL  85   2.187  -5.682   5.090
  459    H    ASN  86           HN       ASN  86   1.106  -2.269   8.578
  460    HA   ASN  86           HA       ASN  86  -0.084  -3.786  10.640
  461    HB2  ASN  86           HB2      ASN  86   1.289  -2.768  12.157
  462    HB3  ASN  86           HB3      ASN  86   2.200  -2.605  10.666
  463   HD21  ASN  86          HD21      ASN  86   0.762  -0.462   9.553
  464   HD22  ASN  86          HD22      ASN  86   1.077   0.953  10.515
  465    H    GLU  87           HN       GLU  87  -1.139  -1.014   9.016
  466    HA   GLU  87           HA       GLU  87  -2.759   0.022  11.178
  467    HB2  GLU  87           HB2      GLU  87  -1.802   1.473   9.352
  468    HB3  GLU  87           HB3      GLU  87  -2.882   0.668   8.222
  469    HG2  GLU  87           HG2      GLU  87  -3.726   2.846   8.966
  470    HG3  GLU  87           HG3      GLU  87  -4.806   1.516   9.385
  471    H    PHE  88           HN       PHE  88  -2.993  -1.947   8.336
  472    HA   PHE  88           HA       PHE  88  -5.809  -2.496   8.636
  473    HB2  PHE  88           HB2      PHE  88  -3.637  -3.069   6.719
  474    HB3  PHE  88           HB3      PHE  88  -4.886  -4.313   6.851
  475    HD1  PHE  88           HD1      PHE  88  -7.299  -3.647   6.554
  476    HD2  PHE  88           HD2      PHE  88  -4.051  -1.111   5.500
  477    HE1  PHE  88           HE1      PHE  88  -8.795  -2.345   5.103
  478    HE2  PHE  88           HE2      PHE  88  -5.543   0.192   4.044
  479    HZ   PHE  88           HZ       PHE  88  -7.916  -0.421   3.848
  480    H    SER  89           HN       SER  89  -3.201  -3.456  10.315
  481    HA   SER  89           HA       SER  89  -2.633  -5.193  11.643
  482    HB2  SER  89           HB2      SER  89  -5.498  -6.084  11.241
  483    HB3  SER  89           HB3      SER  89  -4.415  -6.595  12.537
  484    HG   SER  89           HG       SER  89  -5.722  -4.145  12.148
  485    H    LEU  90           HN       LEU  90  -2.063  -5.422   8.860
  486    HA   LEU  90           HA       LEU  90  -2.601  -8.191   8.105
  487    HB2  LEU  90           HB2      LEU  90  -0.753  -6.338   6.638
  488    HB3  LEU  90           HB3      LEU  90  -1.752  -7.631   5.995
  489    HG   LEU  90           HG       LEU  90  -2.796  -4.981   7.018
  490   HD11  LEU  90          HD11      LEU  90  -3.116  -4.442   4.669
  491   HD12  LEU  90          HD12      LEU  90  -1.414  -4.777   5.007
  492   HD13  LEU  90          HD13      LEU  90  -2.405  -5.990   4.202
  493   HD21  LEU  90          HD21      LEU  90  -4.147  -7.241   5.509
  494   HD22  LEU  90          HD22      LEU  90  -4.411  -6.834   7.204
  495   HD23  LEU  90          HD23      LEU  90  -4.889  -5.701   5.941
  496    H    LYS  91           HN       LYS  91  -0.753  -6.947  10.274
  497    HA   LYS  91           HA       LYS  91   1.888  -7.352   9.971
  498    HB2  LYS  91           HB2      LYS  91   1.870  -7.906  12.438
  499    HB3  LYS  91           HB3      LYS  91   1.037  -6.428  11.969
  500    HG2  LYS  91           HG2      LYS  91  -1.108  -7.683  12.026
  501    HG3  LYS  91           HG3      LYS  91  -0.224  -9.079  12.637
  502    HD2  LYS  91           HD2      LYS  91   0.436  -7.827  14.603
  503    HD3  LYS  91           HD3      LYS  91  -0.356  -6.378  13.972
  504    HE2  LYS  91           HE2      LYS  91  -1.705  -7.588  15.670
  505    HE3  LYS  91           HE3      LYS  91  -2.511  -7.425  14.111
  506    HZ1  LYS  91           HZ1      LYS  91  -1.040  -9.861  14.975
  507    HZ2  LYS  91           HZ2      LYS  91  -2.013  -9.690  13.594
  508    HZ3  LYS  91           HZ3      LYS  91  -2.719  -9.658  15.137
  509    H    GLY  92           HN       GLY  92   1.253  -9.399   8.353
  510    HA2  GLY  92           HA1      GLY  92   2.965 -11.398   9.550
  511    HA3  GLY  92           HA2      GLY  92   1.401 -11.954   8.944
  512    H    VAL  93           HN       VAL  93   3.264  -9.308   7.668
  513    HA   VAL  93           HA       VAL  93   3.202 -10.396   4.999
  514    HB   VAL  93           HB       VAL  93   3.399  -7.804   6.169
  515   HG11  VAL  93          HG11      VAL  93   5.808  -7.949   5.941
  516   HG12  VAL  93          HG12      VAL  93   5.638  -8.397   4.244
  517   HG13  VAL  93          HG13      VAL  93   5.140  -6.795   4.785
  518   HG21  VAL  93          HG21      VAL  93   1.916  -8.522   4.344
  519   HG22  VAL  93          HG22      VAL  93   2.842  -7.074   3.941
  520   HG23  VAL  93          HG23      VAL  93   3.322  -8.635   3.277
  521    H    ASP  94           HN       ASP  94   4.940 -11.183   3.851
  522    HA   ASP  94           HA       ASP  94   7.175 -12.021   5.488
  523    HB2  ASP  94           HB2      ASP  94   6.439 -12.586   2.608
  524    HB3  ASP  94           HB3      ASP  94   7.892 -13.207   3.387
  525    H    PHE  95           HN       PHE  95   8.368 -10.240   5.903
  526    HA   PHE  95           HA       PHE  95   8.710  -8.132   4.096
  527    HB2  PHE  95           HB2      PHE  95  10.322  -8.904   6.534
  528    HB3  PHE  95           HB3      PHE  95  10.537  -7.394   5.653
  529    HD1  PHE  95           HD1      PHE  95   8.611  -5.783   5.520
  530    HD2  PHE  95           HD2      PHE  95   8.629  -9.154   8.115
  531    HE1  PHE  95           HE1      PHE  95   6.837  -4.746   6.873
  532    HE2  PHE  95           HE2      PHE  95   6.860  -8.126   9.471
  533    HZ   PHE  95           HZ       PHE  95   5.901  -5.925   8.781
  534    H    GLN  96           HN       GLN  96  10.327 -11.141   4.472
  535    HA   GLN  96           HA       GLN  96  12.669 -10.451   2.975
  536    HB2  GLN  96           HB2      GLN  96  11.441 -13.104   3.707
  537    HB3  GLN  96           HB3      GLN  96  12.959 -12.947   2.831
  538    HG2  GLN  96           HG2      GLN  96  12.372 -11.922   5.599
  539    HG3  GLN  96           HG3      GLN  96  13.395 -13.296   5.176
  540   HE21  GLN  96          HE21      GLN  96  13.094  -9.828   5.143
  541   HE22  GLN  96          HE22      GLN  96  14.759  -9.476   4.820
  542    H    LYS  97           HN       LYS  97   9.454 -11.508   2.188
  543    HA   LYS  97           HA       LYS  97  10.104 -11.995  -0.592
  544    HB2  LYS  97           HB2      LYS  97   8.073 -12.848   1.029
  545    HB3  LYS  97           HB3      LYS  97   7.292 -11.510   0.203
  546    HG2  LYS  97           HG2      LYS  97   8.686 -13.746  -1.238
  547    HG3  LYS  97           HG3      LYS  97   6.973 -13.770  -0.829
  548    HD2  LYS  97           HD2      LYS  97   6.662 -11.696  -2.137
  549    HD3  LYS  97           HD3      LYS  97   8.370 -11.753  -2.585
  550    HE2  LYS  97           HE2      LYS  97   6.925 -12.686  -4.343
  551    HE3  LYS  97           HE3      LYS  97   8.050 -13.882  -3.699
  552    HZ1  LYS  97           HZ1      LYS  97   5.138 -13.661  -3.194
  553    HZ2  LYS  97           HZ2      LYS  97   6.149 -14.594  -2.212
  554    HZ3  LYS  97           HZ3      LYS  97   5.992 -14.969  -3.855
  555    H    PHE  98           HN       PHE  98   9.270  -9.503   1.543
  556    HA   PHE  98           HA       PHE  98   8.432  -7.610  -0.489
  557    HB2  PHE  98           HB2      PHE  98   8.406  -7.725   2.476
  558    HB3  PHE  98           HB3      PHE  98   8.507  -6.131   1.729
  559    HD1  PHE  98           HD1      PHE  98   6.713  -5.262   0.421
  560    HD2  PHE  98           HD2      PHE  98   6.428  -9.094   2.244
  561    HE1  PHE  98           HE1      PHE  98   4.292  -5.264   0.024
  562    HE2  PHE  98           HE2      PHE  98   4.011  -9.104   1.835
  563    HZ   PHE  98           HZ       PHE  98   2.941  -7.188   0.731
  564    H    CYS  99           HN       CYS  99  11.237  -8.780  -0.102
  565    HA   CYS  99           HA       CYS  99  12.916  -6.626   0.669
  566    HB2  CYS  99           HB2      CYS  99  13.544  -9.073   0.606
  567    HB3  CYS  99           HB3      CYS  99  13.603  -8.925  -1.149
  568    HG   CYS  99           HG       CYS  99  15.935  -8.262   1.048
  569    H    MET 100           HN       MET 100  11.838  -4.940  -0.620
  570    HA   MET 100           HA       MET 100  12.951  -4.896  -3.336
  571    HB2  MET 100           HB2      MET 100  10.430  -3.674  -2.256
  572    HB3  MET 100           HB3      MET 100  11.200  -3.037  -3.701
  573    HG2  MET 100           HG2      MET 100   9.644  -4.452  -4.583
  574    HG3  MET 100           HG3      MET 100  11.083  -5.485  -4.523
  575    HE1  MET 100           HE1      MET 100   7.670  -4.607  -2.792
  576    HE2  MET 100           HE2      MET 100   7.689  -5.702  -1.409
  577    HE3  MET 100           HE3      MET 100   8.840  -4.368  -1.493
  578    H    SER 101           HN       SER 101  14.507  -3.477  -3.672
  579    HA   SER 101           HA       SER 101  14.700  -1.038  -2.170
  580    HB2  SER 101           HB2      SER 101  16.629  -2.034  -3.486
  581    HB3  SER 101           HB3      SER 101  15.758  -1.618  -4.962
  582    HG   SER 101           HG       SER 101  16.934   0.070  -3.039
  583    H    GLY 102           HN       GLY 102  13.925   1.048  -3.066
  584    HA2  GLY 102           HA1      GLY 102  11.251   0.841  -3.677
  585    HA3  GLY 102           HA2      GLY 102  12.202   2.291  -3.905
  586    H    ALA 103           HN       ALA 103  13.919   1.317  -5.972
  587    HA   ALA 103           HA       ALA 103  12.355   1.753  -8.261
  588    HB1  ALA 103           HB1      ALA 103  14.322   1.013  -9.527
  589    HB2  ALA 103           HB2      ALA 103  14.773   2.111  -8.224
  590    HB3  ALA 103           HB3      ALA 103  15.035   0.376  -8.045
  591    H    ALA 104           HN       ALA 104  13.409  -1.155  -6.634
  592    HA   ALA 104           HA       ALA 104  12.315  -3.006  -8.500
  593    HB1  ALA 104           HB1      ALA 104  12.685  -4.661  -6.725
  594    HB2  ALA 104           HB2      ALA 104  14.108  -3.646  -6.962
  595    HB3  ALA 104           HB3      ALA 104  13.036  -3.357  -5.587
  596    H    LEU 105           HN       LEU 105  11.218  -1.649  -5.336
  597    HA   LEU 105           HA       LEU 105   8.885  -2.871  -4.953
  598    HB2  LEU 105           HB2      LEU 105   9.764  -1.161  -3.472
  599    HB3  LEU 105           HB3      LEU 105   9.465   0.087  -4.679
  600    HG   LEU 105           HG       LEU 105   7.040  -0.471  -4.548
  601   HD11  LEU 105          HD11      LEU 105   8.002  -2.208  -2.296
  602   HD12  LEU 105          HD12      LEU 105   6.328  -1.667  -2.460
  603   HD13  LEU 105          HD13      LEU 105   7.054  -2.679  -3.711
  604   HD21  LEU 105          HD21      LEU 105   7.992   1.425  -3.355
  605   HD22  LEU 105          HD22      LEU 105   6.642   0.701  -2.481
  606   HD23  LEU 105          HD23      LEU 105   8.297   0.387  -1.959
  607    H    CYS 106           HN       CYS 106   9.203   0.084  -6.759
  608    HA   CYS 106           HA       CYS 106   6.570   0.187  -7.636
  609    HB2  CYS 106           HB2      CYS 106   8.522   1.931  -7.489
  610    HB3  CYS 106           HB3      CYS 106   8.770   1.479  -9.166
  611    HG   CYS 106           HG       CYS 106   5.800   2.008  -9.506
  612    H    ALA 107           HN       ALA 107   9.474  -1.138  -9.205
  613    HA   ALA 107           HA       ALA 107   8.370  -1.429 -11.757
  614    HB1  ALA 107           HB1      ALA 107  10.616  -3.001 -10.517
  615    HB2  ALA 107           HB2      ALA 107  10.280  -2.828 -12.241
  616    HB3  ALA 107           HB3      ALA 107  10.770  -1.424 -11.295
  617    H    LEU 108           HN       LEU 108   8.119  -3.546  -8.942
  618    HA   LEU 108           HA       LEU 108   7.795  -5.961 -10.292
  619    HB2  LEU 108           HB2      LEU 108   6.453  -6.682  -8.206
  620    HB3  LEU 108           HB3      LEU 108   8.142  -6.270  -8.030
  621    HG   LEU 108           HG       LEU 108   7.456  -4.038  -7.154
  622   HD11  LEU 108          HD11      LEU 108   5.246  -3.844  -8.146
  623   HD12  LEU 108          HD12      LEU 108   4.685  -5.227  -7.207
  624   HD13  LEU 108          HD13      LEU 108   5.150  -3.732  -6.389
  625   HD21  LEU 108          HD21      LEU 108   6.387  -6.443  -5.696
  626   HD22  LEU 108          HD22      LEU 108   8.055  -5.866  -5.678
  627   HD23  LEU 108          HD23      LEU 108   6.772  -4.880  -4.973
  628    H    GLY 109           HN       GLY 109   5.443  -3.414  -9.808
  629    HA2  GLY 109           HA1      GLY 109   3.308  -3.182 -10.666
  630    HA3  GLY 109           HA2      GLY 109   3.613  -4.607 -11.652
  631    H    LYS 110           HN       LYS 110   1.105  -4.139 -10.411
  632    HA   LYS 110           HA       LYS 110   0.922  -5.310  -7.890
  633    HB2  LYS 110           HB2      LYS 110  -1.371  -5.234  -8.055
  634    HB3  LYS 110           HB3      LYS 110  -0.850  -3.940  -9.114
  635    HG2  LYS 110           HG2      LYS 110  -2.255  -4.785 -10.584
  636    HG3  LYS 110           HG3      LYS 110  -1.099  -6.105 -10.812
  637    HD2  LYS 110           HD2      LYS 110  -2.991  -6.265  -8.543
  638    HD3  LYS 110           HD3      LYS 110  -3.660  -6.495 -10.157
  639    HE2  LYS 110           HE2      LYS 110  -1.264  -8.054  -9.198
  640    HE3  LYS 110           HE3      LYS 110  -2.906  -8.586  -8.853
  641    HZ1  LYS 110           HZ1      LYS 110  -3.356  -8.706 -11.203
  642    HZ2  LYS 110           HZ2      LYS 110  -1.970  -9.619 -10.853
  643    HZ3  LYS 110           HZ3      LYS 110  -1.823  -8.091 -11.579
  644    H    GLU 111           HN       GLU 111   0.747  -6.869 -11.097
  645    HA   GLU 111           HA       GLU 111  -0.009  -9.378 -10.398
  646    HB2  GLU 111           HB2      GLU 111   1.361 -10.246 -12.232
  647    HB3  GLU 111           HB3      GLU 111   0.513  -8.779 -12.693
  648    HG2  GLU 111           HG2      GLU 111   2.476  -7.501 -12.653
  649    HG3  GLU 111           HG3      GLU 111   3.360  -8.738 -11.759
  650    H    CYS 112           HN       CYS 112   3.295  -8.112 -10.053
  651    HA   CYS 112           HA       CYS 112   4.223 -10.543  -8.842
  652    HB2  CYS 112           HB2      CYS 112   5.528  -7.819  -8.975
  653    HB3  CYS 112           HB3      CYS 112   6.304  -9.293  -8.408
  654    HG   CYS 112           HG       CYS 112   6.431 -10.545 -10.819
  655    H    PHE 113           HN       PHE 113   3.530  -7.247  -7.706
  656    HA   PHE 113           HA       PHE 113   4.213  -7.544  -5.070
  657    HB2  PHE 113           HB2      PHE 113   3.401  -5.451  -6.385
  658    HB3  PHE 113           HB3      PHE 113   1.801  -5.918  -5.815
  659    HD1  PHE 113           HD2      PHE 113   1.542  -6.315  -3.306
  660    HD2  PHE 113           HD1      PHE 113   4.800  -4.134  -5.007
  661    HE1  PHE 113           HE2      PHE 113   1.999  -5.292  -1.128
  662    HE2  PHE 113           HE1      PHE 113   5.251  -3.133  -2.818
  663    HZ   PHE 113           HZ       PHE 113   3.864  -3.720  -0.881
  664    H    LEU 114           HN       LEU 114   1.057  -8.355  -6.528
  665    HA   LEU 114           HA       LEU 114  -0.055  -8.864  -3.929
  666    HB2  LEU 114           HB2      LEU 114  -1.325  -9.941  -6.395
  667    HB3  LEU 114           HB3      LEU 114  -2.068  -9.347  -4.923
  668    HG   LEU 114           HG       LEU 114  -1.115  -7.853  -7.307
  669   HD11  LEU 114          HD11      LEU 114  -3.420  -8.253  -7.194
  670   HD12  LEU 114          HD12      LEU 114  -3.488  -7.815  -5.485
  671   HD13  LEU 114          HD13      LEU 114  -3.198  -6.573  -6.699
  672   HD21  LEU 114          HD21      LEU 114  -1.393  -6.541  -4.618
  673   HD22  LEU 114          HD22      LEU 114   0.144  -6.860  -5.422
  674   HD23  LEU 114          HD23      LEU 114  -1.023  -5.760  -6.157
  675    H    GLU 115           HN       GLU 115   1.540 -10.720  -6.358
  676    HA   GLU 115           HA       GLU 115   1.019 -13.232  -5.083
  677    HB2  GLU 115           HB2      GLU 115   3.030 -12.378  -7.164
  678    HB3  GLU 115           HB3      GLU 115   2.883 -14.032  -6.585
  679    HG2  GLU 115           HG2      GLU 115   0.599 -12.519  -7.810
  680    HG3  GLU 115           HG3      GLU 115   1.718 -13.504  -8.752
  681    H    LEU 116           HN       LEU 116   2.829 -10.562  -4.469
  682    HA   LEU 116           HA       LEU 116   5.112 -11.868  -3.237
  683    HB2  LEU 116           HB2      LEU 116   5.887 -10.122  -4.452
  684    HB3  LEU 116           HB3      LEU 116   4.406  -9.203  -4.284
  685    HG   LEU 116           HG       LEU 116   6.128  -9.445  -1.892
  686   HD11  LEU 116          HD11      LEU 116   7.746  -9.028  -3.669
  687   HD12  LEU 116          HD12      LEU 116   6.764  -7.679  -4.241
  688   HD13  LEU 116          HD13      LEU 116   7.534  -7.601  -2.654
  689   HD21  LEU 116          HD21      LEU 116   5.341  -7.198  -1.529
  690   HD22  LEU 116          HD22      LEU 116   4.599  -7.181  -3.130
  691   HD23  LEU 116          HD23      LEU 116   3.981  -8.266  -1.884
  692    H    ALA 117           HN       ALA 117   2.129 -10.408  -2.406
  693    HA   ALA 117           HA       ALA 117   2.728 -10.818   0.457
  694    HB1  ALA 117           HB1      ALA 117   2.488  -8.419  -0.019
  695    HB2  ALA 117           HB2      ALA 117   0.912  -8.717  -0.747
  696    HB3  ALA 117           HB3      ALA 117   1.158  -9.001   0.984
  697    HA   PRO 118           HA       PRO 118  -1.360 -12.986   0.656
  698    HB2  PRO 118           HB2      PRO 118  -2.353 -10.601   2.141
  699    HB3  PRO 118           HB3      PRO 118  -2.568 -12.313   2.517
  700    HG2  PRO 118           HG2      PRO 118  -0.838 -10.819   3.882
  701    HG3  PRO 118           HG3      PRO 118  -0.461 -12.501   3.465
  702    HD2  PRO 118           HD2      PRO 118   0.585  -9.973   2.292
  703    HD3  PRO 118           HD3      PRO 118   1.388 -11.548   2.483
  704    H    ASP 119           HN       ASP 119  -2.994 -12.900  -0.815
  705    HA   ASP 119           HA       ASP 119  -2.643 -11.315  -2.990
  706    HB2  ASP 119           HB2      ASP 119  -4.753 -12.105  -3.877
  707    HB3  ASP 119           HB3      ASP 119  -3.876 -13.407  -3.083
  708    H    PHE 120           HN       PHE 120  -4.683 -10.343  -0.223
  709    HA   PHE 120           HA       PHE 120  -5.884  -8.304  -1.925
  710    HB2  PHE 120           HB2      PHE 120  -7.138  -9.783  -0.047
  711    HB3  PHE 120           HB3      PHE 120  -6.664  -8.380   0.913
  712    HD1  PHE 120           HD1      PHE 120  -7.123  -6.045  -0.334
  713    HD2  PHE 120           HD2      PHE 120  -9.175  -9.700  -1.084
  714    HE1  PHE 120           HE1      PHE 120  -9.017  -4.787  -1.266
  715    HE2  PHE 120           HE2      PHE 120 -11.070  -8.445  -2.020
  716    HZ   PHE 120           HZ       PHE 120 -10.995  -5.989  -2.111
  717    H    VAL 121           HN       VAL 121  -3.750  -8.870   0.645
  718    HA   VAL 121           HA       VAL 121  -3.277  -6.214   1.471
  719    HB   VAL 121           HB       VAL 121  -1.551  -8.686   1.592
  720   HG11  VAL 121          HG11      VAL 121  -0.317  -7.510   3.345
  721   HG12  VAL 121          HG12      VAL 121  -0.227  -6.644   1.809
  722   HG13  VAL 121          HG13      VAL 121  -1.309  -6.074   3.079
  723   HG21  VAL 121          HG21      VAL 121  -3.802  -8.761   2.623
  724   HG22  VAL 121          HG22      VAL 121  -2.474  -8.954   3.787
  725   HG23  VAL 121          HG23      VAL 121  -3.325  -7.409   3.655
  726    H    GLY 122           HN       GLY 122  -1.922  -8.339  -0.994
  727    HA2  GLY 122           HA1      GLY 122   0.053  -6.739  -2.025
  728    HA3  GLY 122           HA2      GLY 122  -1.030  -7.739  -2.997
  729    H    ASP 123           HN       ASP 123  -3.478  -6.550  -2.767
  730    HA   ASP 123           HA       ASP 123  -3.123  -4.340  -4.536
  731    HB2  ASP 123           HB2      ASP 123  -5.677  -5.100  -3.089
  732    HB3  ASP 123           HB3      ASP 123  -5.530  -3.997  -4.447
  733    H    ILE 124           HN       ILE 124  -4.055  -4.709  -1.160
  734    HA   ILE 124           HA       ILE 124  -4.534  -2.087  -0.493
  735    HB   ILE 124           HB       ILE 124  -3.459  -4.417   1.053
  736   HG12  ILE 124          HG12      ILE 124  -5.961  -2.715   1.248
  737   HG13  ILE 124          HG13      ILE 124  -5.841  -4.298   0.483
  738   HG21  ILE 124          HG21      ILE 124  -3.519  -3.088   3.122
  739   HG22  ILE 124          HG22      ILE 124  -2.314  -2.452   1.999
  740   HG23  ILE 124          HG23      ILE 124  -3.864  -1.632   2.185
  741   HD11  ILE 124          HD11      ILE 124  -5.302  -5.298   2.647
  742   HD12  ILE 124          HD12      ILE 124  -5.439  -3.713   3.407
  743   HD13  ILE 124          HD13      ILE 124  -6.858  -4.468   2.674
  744    H    LEU 125           HN       LEU 125  -1.382  -3.674   0.092
  745    HA   LEU 125           HA       LEU 125   0.013  -1.303   0.431
  746    HB2  LEU 125           HB2      LEU 125   0.686  -4.113  -0.141
  747    HB3  LEU 125           HB3      LEU 125   1.931  -2.925  -0.500
  748    HG   LEU 125           HG       LEU 125   0.547  -3.138   2.160
  749   HD11  LEU 125          HD11      LEU 125   1.782  -5.187   1.728
  750   HD12  LEU 125          HD12      LEU 125   3.210  -4.252   1.285
  751   HD13  LEU 125          HD13      LEU 125   2.610  -4.213   2.943
  752   HD21  LEU 125          HD21      LEU 125   1.495  -0.951   1.643
  753   HD22  LEU 125          HD22      LEU 125   2.422  -1.756   2.912
  754   HD23  LEU 125          HD23      LEU 125   3.046  -1.705   1.263
  755    H    TRP 126           HN       TRP 126  -0.627  -3.134  -2.540
  756    HA   TRP 126           HA       TRP 126   1.054  -1.622  -4.216
  757    HB2  TRP 126           HB2      TRP 126   0.230  -3.644  -5.147
  758    HB3  TRP 126           HB3      TRP 126  -1.449  -3.198  -4.826
  759    HD1  TRP 126           HD1      TRP 126  -2.719  -1.995  -6.727
  760    HE1  TRP 126           HE1      TRP 126  -2.022  -0.884  -8.963
  761    HE3  TRP 126           HE3      TRP 126   2.359  -2.447  -6.324
  762    HZ2  TRP 126           HZ2      TRP 126   0.383  -0.304 -10.354
  763    HZ3  TRP 126           HZ3      TRP 126   3.780  -1.588  -8.140
  764    HH2  TRP 126           HH2      TRP 126   2.808  -0.551 -10.119
  765    H    GLU 127           HN       GLU 127  -2.331  -1.171  -3.291
  766    HA   GLU 127           HA       GLU 127  -2.915   1.022  -4.884
  767    HB2  GLU 127           HB2      GLU 127  -4.046  -0.226  -2.543
  768    HB3  GLU 127           HB3      GLU 127  -4.158   1.531  -2.434
  769    HG2  GLU 127           HG2      GLU 127  -6.109   0.337  -3.490
  770    HG3  GLU 127           HG3      GLU 127  -5.422   1.683  -4.395
  771    H    HIS 128           HN       HIS 128  -1.744   1.104  -1.478
  772    HA   HIS 128           HA       HIS 128  -1.264   3.895  -1.595
  773    HB2  HIS 128           HB2      HIS 128  -1.353   2.509   0.543
  774    HB3  HIS 128           HB3      HIS 128   0.296   2.005   0.174
  775    HD1  HIS 128           HD1      HIS 128   0.742   3.295   2.557
  776    HD2  HIS 128           HD2      HIS 128  -0.201   5.671  -0.728
  777    HE1  HIS 128           HE1      HIS 128   1.415   5.631   3.202
  778    HE2  HIS 128           HE2      HIS 128   0.722   7.074   1.255
  779    H    LEU 129           HN       LEU 129   0.685   1.150  -2.616
  780    HA   LEU 129           HA       LEU 129   3.106   2.446  -3.013
  781    HB2  LEU 129           HB2      LEU 129   2.792   0.035  -3.300
  782    HB3  LEU 129           HB3      LEU 129   1.730   0.314  -4.663
  783    HG   LEU 129           HG       LEU 129   3.479   0.818  -6.102
  784   HD11  LEU 129          HD11      LEU 129   5.256   1.282  -3.712
  785   HD12  LEU 129          HD12      LEU 129   5.652   1.578  -5.405
  786   HD13  LEU 129          HD13      LEU 129   4.424   2.562  -4.599
  787   HD21  LEU 129          HD21      LEU 129   5.161  -0.885  -5.797
  788   HD22  LEU 129          HD22      LEU 129   4.769  -1.013  -4.081
  789   HD23  LEU 129          HD23      LEU 129   3.595  -1.525  -5.298
  790    H    GLU 130           HN       GLU 130   0.303   2.087  -5.105
  791    HA   GLU 130           HA       GLU 130   1.365   3.731  -7.109
  792    HB2  GLU 130           HB2      GLU 130  -0.405   1.966  -7.429
  793    HB3  GLU 130           HB3      GLU 130  -1.542   3.044  -6.633
  794    HG2  GLU 130           HG2      GLU 130  -1.005   4.720  -8.446
  795    HG3  GLU 130           HG3      GLU 130  -0.181   3.400  -9.278
  796    H    ILE 131           HN       ILE 131  -0.682   4.291  -4.351
  797    HA   ILE 131           HA       ILE 131  -1.424   6.926  -4.927
  798    HB   ILE 131           HB       ILE 131  -1.337   5.266  -2.484
  799   HG12  ILE 131          HG12      ILE 131  -3.696   5.862  -2.360
  800   HG13  ILE 131          HG13      ILE 131  -3.496   7.046  -3.645
  801   HG21  ILE 131          HG21      ILE 131  -2.157   7.212  -1.142
  802   HG22  ILE 131          HG22      ILE 131  -0.445   7.291  -1.581
  803   HG23  ILE 131          HG23      ILE 131  -1.625   8.262  -2.463
  804   HD11  ILE 131          HD11      ILE 131  -3.318   4.053  -3.899
  805   HD12  ILE 131          HD12      ILE 131  -4.609   5.100  -4.489
  806   HD13  ILE 131          HD13      ILE 131  -3.000   5.196  -5.208
  807    H    LEU 132           HN       LEU 132   1.425   5.713  -3.090
  808    HA   LEU 132           HA       LEU 132   2.467   8.159  -2.287
  809    HB2  LEU 132           HB2      LEU 132   4.225   5.970  -3.353
  810    HB3  LEU 132           HB3      LEU 132   4.631   7.178  -2.154
  811    HG   LEU 132           HG       LEU 132   2.402   5.449  -1.392
  812   HD11  LEU 132          HD11      LEU 132   5.181   4.344  -1.809
  813   HD12  LEU 132          HD12      LEU 132   3.867   3.520  -0.968
  814   HD13  LEU 132          HD13      LEU 132   3.726   3.876  -2.690
  815   HD21  LEU 132          HD21      LEU 132   3.480   6.993   0.183
  816   HD22  LEU 132          HD22      LEU 132   3.708   5.321   0.702
  817   HD23  LEU 132          HD23      LEU 132   5.032   6.193  -0.074
  818    H    GLN 133           HN       GLN 133   2.571   6.562  -5.338
  819    HA   GLN 133           HA       GLN 133   4.467   8.460  -6.443
  820    HB2  GLN 133           HB2      GLN 133   4.692   7.014  -8.268
  821    HB3  GLN 133           HB3      GLN 133   4.439   5.926  -6.915
  822    HG2  GLN 133           HG2      GLN 133   1.919   6.156  -7.685
  823    HG3  GLN 133           HG3      GLN 133   2.689   6.534  -9.223
  824   HE21  GLN 133          HE21      GLN 133   3.924   4.310  -6.781
  825   HE22  GLN 133          HE22      GLN 133   3.724   2.875  -7.725
  826    H    LYS 134           HN       LYS 134   1.000   7.863  -6.368
  827    HA   LYS 134           HA       LYS 134   0.269   9.324  -8.591
  828    HB2  LYS 134           HB2      LYS 134  -1.661   8.388  -8.008
  829    HB3  LYS 134           HB3      LYS 134  -0.946   7.862  -6.495
  830    HG2  LYS 134           HG2      LYS 134  -2.084  10.620  -6.722
  831    HG3  LYS 134           HG3      LYS 134  -3.151   9.235  -6.503
  832    HD2  LYS 134           HD2      LYS 134  -1.777   8.616  -4.485
  833    HD3  LYS 134           HD3      LYS 134  -0.938  10.153  -4.672
  834    HE2  LYS 134           HE2      LYS 134  -3.923   9.903  -4.343
  835    HE3  LYS 134           HE3      LYS 134  -2.807  10.167  -3.005
  836    HZ1  LYS 134           HZ1      LYS 134  -2.208  12.273  -3.855
  837    HZ2  LYS 134           HZ2      LYS 134  -3.903  12.200  -3.931
  838    HZ3  LYS 134           HZ3      LYS 134  -2.988  11.990  -5.342
  839    H    GLU 135           HN       GLU 135   1.222  10.473  -5.416
  840    HA   GLU 135           HA       GLU 135  -0.271  12.787  -5.287
  841    HB2  GLU 135           HB2      GLU 135   1.299  11.711  -3.555
  842    HB3  GLU 135           HB3      GLU 135   2.555  12.701  -4.291
  843    HG2  GLU 135           HG2      GLU 135   1.391  13.649  -2.254
  844    HG3  GLU 135           HG3      GLU 135   1.500  14.699  -3.668
  845    H    ASP 136           HN       ASP 136   2.674  12.231  -7.139
  846    HA   ASP 136           HA       ASP 136   1.958  14.664  -8.590
  847    HB2  ASP 136           HB2      ASP 136   4.304  15.311  -8.896
  848    HB3  ASP 136           HB3      ASP 136   3.842  15.337  -7.202
  849    H    VAL 137           HN       VAL 137   1.313  11.995  -9.142
  850    HA   VAL 137           HA       VAL 137   3.041  10.970 -11.173
  851    HB   VAL 137           HB       VAL 137   1.504   9.495  -9.923
  852   HG11  VAL 137          HG11      VAL 137  -0.422  10.935  -9.700
  853   HG12  VAL 137          HG12      VAL 137  -0.683  10.900 -11.447
  854   HG13  VAL 137          HG13      VAL 137  -0.884   9.429 -10.492
  855   HG21  VAL 137          HG21      VAL 137   0.722   8.167 -11.825
  856   HG22  VAL 137          HG22      VAL 137   1.010   9.540 -12.894
  857   HG23  VAL 137          HG23      VAL 137   2.364   8.766 -12.071
  858    H    LYS 138           HN       LYS 138   2.907  11.159 -13.351
  859    HA   LYS 138           HA       LYS 138   1.800  13.584 -14.361
  860    HB2  LYS 138           HB2      LYS 138   3.133  11.262 -15.767
  861    HB3  LYS 138           HB3      LYS 138   2.755  12.807 -16.518
  862    HG2  LYS 138           HG2      LYS 138   4.332  13.952 -15.210
  863    HG3  LYS 138           HG3      LYS 138   4.493  12.603 -14.082
  864    HD2  LYS 138           HD2      LYS 138   5.546  11.259 -15.816
  865    HD3  LYS 138           HD3      LYS 138   5.337  12.570 -16.979
  866    HE2  LYS 138           HE2      LYS 138   6.853  13.970 -15.796
  867    HE3  LYS 138           HE3      LYS 138   6.902  12.863 -14.425
  868    HZ1  LYS 138           HZ1      LYS 138   8.081  11.271 -15.704
  869    HZ2  LYS 138           HZ2      LYS 138   8.866  12.757 -15.928
  870    HZ3  LYS 138           HZ3      LYS 138   7.854  12.142 -17.144