*HEADER    TRANSFERASE                             06-MAY-11   2LCR              
*TITLE     NMR STRUCTURE OF ALK1 EXTRACELLULAR DOMAIN                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACTIVIN RECEPTOR-LIKE KINASE 1;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: EXTRACELLULAR DOMAIN RESIDUES 22-118;                      
*COMPND   5 SYNONYM: SERINE/THREONINE-PROTEIN KINASE RECEPTOR R3, SKR3, ALK-1,   
*COMPND   6 TGF-B SUPERFAMILY RECEPTOR TYPE I, TSR-I;                            
*COMPND   7 EC: 2.7.11.30;                                                       
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: ACVRL1, ACVRLK1, ALK1;                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET15B                                     
*KEYWDS    TRANSFERASE                                                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    U.ILANGOVAN                                                           
*REVDAT   1   25-JUL-12 2LCR    0                                                


 ASSI {    6}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 58   and name HG1 ))
      3.500     1.500     1.500 peak     6 spectrum    1 weight  0.11000E+01 volume  0.72418E-03 ppm1      7.345 ppm2      2.088 CV     1
 OR {    6}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 58   and name HB1 ))
 ASSI {    7}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 59   and name HG  ))
      2.400     0.700     0.700 peak     7 spectrum    1 weight  0.11000E+01 volume  0.42223E-02 ppm1      7.344 ppm2      1.537 CV     1
 ASSI {    8}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 59   and name HB2 ))
      2.500     0.800     0.800 peak     8 spectrum    1 weight  0.11000E+01 volume  0.30394E-02 ppm1      7.344 ppm2      1.406 CV     1
 ASSI {    9}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 59   and name HB1 ))
      3.500     1.500     1.500 peak     9 spectrum    1 weight  0.11000E+01 volume  0.18595E-02 ppm1      7.344 ppm2      0.896 CV     1
 ASSI {   10}
   (( segid "alk1" and resid 59   and name HN  ))
   (  segid "alk1" and resid 59   and name HD1%)
      3.300     1.400     1.400 peak    10 spectrum    1 weight  0.11000E+01 volume  0.29990E-02 ppm1      7.345 ppm2      0.793 CV     1
 ASSI {   11}
   (( segid "alk1" and resid 59   and name HN  ))
   (  segid "alk1" and resid 59   and name HD2%)
      3.500     1.500     1.500 peak    11 spectrum    1 weight  0.11000E+01 volume  0.15985E-02 ppm1      7.344 ppm2      0.734 CV     1
 ASSI {   12}
   (( segid "alk1" and resid 24   and name HN  ))
   (( segid "alk1" and resid 21   and name HB1 ))
      3.400     3.400     2.600 peak    12 spectrum    1 weight  0.11000E+01 volume  0.21763E-03 ppm1      7.305 ppm2      3.993 CV     1
 ASSI {   13}
   (( segid "alk1" and resid 24   and name HN  ))
   (( segid "alk1" and resid 23   and name HB1 ))
      4.900     3.000     1.100 peak    13 spectrum    1 weight  0.11000E+01 volume  0.23057E-03 ppm1      7.304 ppm2      3.309 CV     1
 ASSI {   14}
   (( segid "alk1" and resid 24   and name HN  ))
   (( segid "alk1" and resid 23   and name HB2 ))
      3.500     1.600     1.600 peak    14 spectrum    1 weight  0.11000E+01 volume  0.72877E-03 ppm1      7.305 ppm2      2.933 CV     1
 ASSI {   15}
   (( segid "alk1" and resid 24   and name HN  ))
   (( segid "alk1" and resid 23   and name HA  ))
      3.100     1.200     1.200 peak    15 spectrum    1 weight  0.11000E+01 volume  0.10642E-02 ppm1      7.303 ppm2      4.680 CV     1
 ASSI {   16}
   (( segid "alk1" and resid 24   and name HN  ))
   (( segid "alk1" and resid 24   and name HA  ))
      2.500     0.800     0.800 peak    16 spectrum    1 weight  0.11000E+01 volume  0.30576E-02 ppm1      7.303 ppm2      4.374 CV     1
 ASSI {   17}
   (( segid "alk1" and resid 24   and name HN  ))
   (( segid "alk1" and resid 24   and name HB1 ))
      2.900     1.100     1.100 peak    17 spectrum    1 weight  0.11000E+01 volume  0.23187E-02 ppm1      7.302 ppm2      3.532 CV     1
 ASSI {   18}
   (( segid "alk1" and resid 24   and name HN  ))
   (( segid "alk1" and resid 24   and name HB2 ))
      2.400     0.700     0.700 peak    18 spectrum    1 weight  0.11000E+01 volume  0.40232E-02 ppm1      7.303 ppm2      3.054 CV     1
 ASSI {   19}
   (( segid "alk1" and resid 82   and name HN  ))
   (( segid "alk1" and resid 81   and name HA  ))
      3.300     1.300     1.300 peak    19 spectrum    1 weight  0.11000E+01 volume  0.87836E-03 ppm1      6.693 ppm2      4.568 CV     1
 ASSI {   20}
   (( segid "alk1" and resid 82   and name HN  ))
   (( segid "alk1" and resid 79   and name HA  ))
      4.700     2.700     1.300 peak    20 spectrum    1 weight  0.11000E+01 volume  0.19958E-03 ppm1      6.694 ppm2      4.435 CV     1
 ASSI {   21}
   (( segid "alk1" and resid 82   and name HN  ))
   (( segid "alk1" and resid 82   and name HA  ))
      2.900     1.100     1.100 peak    21 spectrum    1 weight  0.11000E+01 volume  0.17478E-02 ppm1      6.693 ppm2      3.850 CV     1
 ASSI {   22}
   (( segid "alk1" and resid 82   and name HN  ))
   (( segid "alk1" and resid 82   and name HB  ))
      2.500     0.800     0.800 peak    22 spectrum    1 weight  0.11000E+01 volume  0.46122E-02 ppm1      6.693 ppm2      1.533 CV     1
 ASSI {   23}
   (( segid "alk1" and resid 82   and name HN  ))
   (  segid "alk1" and resid 36   and name HG1%)
      5.800     4.100     0.200 peak    23 spectrum    1 weight  0.11000E+01 volume  0.36209E-03 ppm1      6.694 ppm2      1.138 CV     1
 ASSI {   24}
   (( segid "alk1" and resid 82   and name HN  ))
   (  segid "alk1" and resid 82   and name HG1%)
      2.500     0.800     0.800 peak    24 spectrum    1 weight  0.11000E+01 volume  0.42025E-02 ppm1      6.693 ppm2      0.802 CV     1
 ASSI {   28}
   (( segid "alk1" and resid 54   and name HD21))
   (( segid "alk1" and resid 54   and name HB1 ))
      3.500     1.500     1.500 peak    28 spectrum    1 weight  0.11000E+01 volume  0.51127E-03 ppm1      6.959 ppm2      2.476 CV     1
 ASSI {   30}
   (( segid "alk1" and resid 47   and name HE21))
   (( segid "alk1" and resid 47   and name HG2 ))
      3.400     1.500     1.500 peak    30 spectrum    1 weight  0.11000E+01 volume  0.55666E-03 ppm1      6.891 ppm2      2.337 CV     1
 OR {   30}
   (( segid "alk1" and resid 47   and name HE21))
   (( segid "alk1" and resid 47   and name HG1 ))
 ASSI {   35}
   (( segid "alk1" and resid 33   and name HE1 ))
   (( segid "alk1" and resid 53   and name HA2 ))
      4.800     2.900     1.200 peak    35 spectrum    1 weight  0.11000E+01 volume  0.62757E-03 ppm1      9.884 ppm2      2.242 CV     1
 ASSI {   36}
   (( segid "alk1" and resid 33   and name HE1 ))
   (  segid "alk1" and resid 35   and name HG2%)
      2.700     0.900     0.900 peak    36 spectrum    1 weight  0.11000E+01 volume  0.30198E-02 ppm1      9.884 ppm2      1.236 CV     1
 ASSI {   39}
   (( segid "alk1" and resid 19   and name HN  ))
   (( segid "alk1" and resid 18   and name HA  ))
      2.400     0.700     0.700 peak    39 spectrum    1 weight  0.11000E+01 volume  0.43162E-02 ppm1      8.228 ppm2      4.008 CV     1
 ASSI {   42}
   (( segid "alk1" and resid 19   and name HN  ))
   (  segid "alk1" and resid 18   and name HG2%)
      2.900     1.000     1.000 peak    42 spectrum    1 weight  0.11000E+01 volume  0.24752E-02 ppm1      8.228 ppm2      1.223 CV     1
 ASSI {   43}
   (( segid "alk1" and resid 19   and name HN  ))
   (  segid "alk1" and resid 28   and name HG2%)
      3.500     1.500     1.500 peak    43 spectrum    1 weight  0.11000E+01 volume  0.81909E-03 ppm1      8.228 ppm2      0.988 CV     1
 ASSI {   44}
   (( segid "alk1" and resid 38   and name HN  ))
   (( segid "alk1" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak    44 spectrum    1 weight  0.11000E+01 volume  0.18995E-02 ppm1      8.453 ppm2      4.884 CV     1
 ASSI {   45}
   (( segid "alk1" and resid 38   and name HN  ))
   (( segid "alk1" and resid 37   and name HA  ))
      2.500     0.800     0.800 peak    45 spectrum    1 weight  0.11000E+01 volume  0.36487E-02 ppm1      8.453 ppm2      4.794 CV     1
 ASSI {   46}
   (( segid "alk1" and resid 38   and name HN  ))
   (( segid "alk1" and resid 38   and name HB1 ))
      2.800     1.000     1.000 peak    46 spectrum    1 weight  0.11000E+01 volume  0.15557E-02 ppm1      8.454 ppm2      1.675 CV     1
 ASSI {   47}
   (( segid "alk1" and resid 38   and name HN  ))
   (( segid "alk1" and resid 38   and name HB2 ))
      3.200     1.300     1.300 peak    47 spectrum    1 weight  0.11000E+01 volume  0.14729E-02 ppm1      8.453 ppm2      1.446 CV     1
 ASSI {   50}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 19   and name HA  ))
      2.100     0.500     0.500 peak    50 spectrum    1 weight  0.11000E+01 volume  0.72562E-02 ppm1      9.104 ppm2      5.037 CV     1
 ASSI {   54}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 20   and name HB1 ))
      3.000     1.100     1.100 peak    54 spectrum    1 weight  0.11000E+01 volume  0.95972E-03 ppm1      9.105 ppm2      2.043 CV     1
 ASSI {   55}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 20   and name HB2 ))
      2.600     0.900     0.900 peak    55 spectrum    1 weight  0.11000E+01 volume  0.29373E-02 ppm1      9.104 ppm2      1.829 CV     1
 ASSI {   56}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 19   and name HB2 ))
      4.300     2.300     1.700 peak    56 spectrum    1 weight  0.11000E+01 volume  0.41174E-03 ppm1      9.105 ppm2      1.622 CV     1
 ASSI {   58}
   (( segid "alk1" and resid 20   and name HN  ))
   (  segid "alk1" and resid 18   and name HG2%)
      4.000     2.000     2.000 peak    58 spectrum    1 weight  0.11000E+01 volume  0.33735E-03 ppm1      9.105 ppm2      1.225 CV     1
 ASSI {   61}
   (( segid "alk1" and resid 40   and name HN  ))
   (  segid "alk1" and resid 39   and name HG1%)
      3.200     1.300     1.300 peak    61 spectrum    1 weight  0.11000E+01 volume  0.16035E-02 ppm1      8.668 ppm2      0.792 CV     1
 ASSI {   62}
   (( segid "alk1" and resid 40   and name HN  ))
   (( segid "alk1" and resid 40   and name HA  ))
      3.200     1.300     1.300 peak    62 spectrum    1 weight  0.11000E+01 volume  0.96599E-03 ppm1      8.666 ppm2      4.513 CV     1
 ASSI {   63}
   (( segid "alk1" and resid 40   and name HN  ))
   (( segid "alk1" and resid 39   and name HA  ))
      2.300     0.700     0.700 peak    63 spectrum    1 weight  0.11000E+01 volume  0.57698E-02 ppm1      8.667 ppm2      4.383 CV     1
 ASSI {   67}
   (( segid "alk1" and resid 84   and name HN  ))
   (( segid "alk1" and resid 83   and name HA  ))
      3.000     1.100     1.100 peak    67 spectrum    1 weight  0.11000E+01 volume  0.13360E-02 ppm1      9.621 ppm2      4.847 CV     1
 ASSI {   68}
   (( segid "alk1" and resid 84   and name HN  ))
   (( segid "alk1" and resid 84   and name HA  ))
      3.800     1.800     1.800 peak    68 spectrum    1 weight  0.11000E+01 volume  0.36745E-03 ppm1      9.621 ppm2      4.366 CV     1
 ASSI {   69}
   (( segid "alk1" and resid 84   and name HN  ))
   (( segid "alk1" and resid 84   and name HB2 ))
      3.100     1.200     1.200 peak    69 spectrum    1 weight  0.11000E+01 volume  0.13740E-02 ppm1      9.621 ppm2      1.541 CV     1
 OR {   69}
   (( segid "alk1" and resid 84   and name HN  ))
   (( segid "alk1" and resid 84   and name HB1 ))
 ASSI {   70}
   (( segid "alk1" and resid 84   and name HN  ))
   (( segid "alk1" and resid 84   and name HG  ))
      3.600     1.600     1.600 peak    70 spectrum    1 weight  0.11000E+01 volume  0.87185E-03 ppm1      9.622 ppm2      1.418 CV     1
 ASSI {   76}
   (( segid "alk1" and resid 8    and name HN  ))
   (( segid "alk1" and resid 8    and name HA  ))
      3.600     1.600     1.600 peak    76 spectrum    1 weight  0.11000E+01 volume  0.46420E-03 ppm1      8.282 ppm2      4.573 CV     1
 ASSI {   78}
   (( segid "alk1" and resid 8    and name HN  ))
   (( segid "alk1" and resid 7    and name HB  ))
      5.200     3.400     0.800 peak    78 spectrum    1 weight  0.11000E+01 volume  0.78074E-04 ppm1      8.274 ppm2      2.013 CV     1
 ASSI {   79}
   (( segid "alk1" and resid 8    and name HN  ))
   (( segid "alk1" and resid 8    and name HB1 ))
      4.700     2.800     1.300 peak    79 spectrum    1 weight  0.11000E+01 volume  0.27489E-03 ppm1      8.273 ppm2      1.798 CV     1
 ASSI {   80}
   (( segid "alk1" and resid 8    and name HN  ))
   (( segid "alk1" and resid 8    and name HB2 ))
      3.100     1.200     1.200 peak    80 spectrum    1 weight  0.11000E+01 volume  0.14632E-02 ppm1      8.274 ppm2      1.691 CV     1
 ASSI {   81}
   (( segid "alk1" and resid 8    and name HN  ))
   (  segid "alk1" and resid 7    and name HG1%)
      4.300     2.300     1.700 peak    81 spectrum    1 weight  0.11000E+01 volume  0.34379E-03 ppm1      8.274 ppm2      0.894 CV     1
 ASSI {   82}
   (( segid "alk1" and resid 39   and name HN  ))
   (( segid "alk1" and resid 38   and name HA  ))
      2.300     0.600     0.600 peak    82 spectrum    1 weight  0.11000E+01 volume  0.50323E-02 ppm1      8.870 ppm2      4.896 CV     1
 ASSI {   83}
   (( segid "alk1" and resid 39   and name HN  ))
   (( segid "alk1" and resid 39   and name HA  ))
      3.600     1.600     1.600 peak    83 spectrum    1 weight  0.11000E+01 volume  0.45398E-03 ppm1      8.870 ppm2      4.383 CV     1
 ASSI {   85}
   (( segid "alk1" and resid 39   and name HN  ))
   (( segid "alk1" and resid 39   and name HB  ))
      2.700     0.900     0.900 peak    85 spectrum    1 weight  0.11000E+01 volume  0.25303E-02 ppm1      8.872 ppm2      1.734 CV     1
 ASSI {   86}
   (( segid "alk1" and resid 39   and name HN  ))
   (( segid "alk1" and resid 38   and name HG  ))
      3.900     1.900     1.900 peak    86 spectrum    1 weight  0.11000E+01 volume  0.40185E-03 ppm1      8.870 ppm2      1.405 CV     1
 ASSI {   87}
   (( segid "alk1" and resid 39   and name HN  ))
   (  segid "alk1" and resid 38   and name HD1%)
      2.700     0.900     0.900 peak    87 spectrum    1 weight  0.11000E+01 volume  0.30980E-02 ppm1      8.869 ppm2      0.774 CV     1
 ASSI {   88}
   (( segid "alk1" and resid 39   and name HN  ))
   (  segid "alk1" and resid 39   and name HG2%)
      3.000     1.100     1.100 peak    88 spectrum    1 weight  0.11000E+01 volume  0.13655E-02 ppm1      8.870 ppm2      0.591 CV     1
 ASSI {   92}
   (( segid "alk1" and resid 71   and name HN  ))
   (( segid "alk1" and resid 70   and name HB1 ))
      4.600     2.600     1.400 peak    92 spectrum    1 weight  0.11000E+01 volume  0.43386E-03 ppm1      9.069 ppm2      3.339 CV     1
 ASSI {   93}
   (( segid "alk1" and resid 71   and name HN  ))
   (  segid "alk1" and resid 37   and name HG2%)
      3.100     1.200     1.200 peak    93 spectrum    1 weight  0.11000E+01 volume  0.35642E-03 ppm1      9.070 ppm2      0.764 CV     1
 ASSI {   94}
   (( segid "alk1" and resid 71   and name HN  ))
   (  segid "alk1" and resid 84   and name HD2%)
      4.700     2.800     1.300 peak    94 spectrum    1 weight  0.11000E+01 volume  0.32003E-03 ppm1      9.072 ppm2      0.572 CV     1
 ASSI {   95}
   (( segid "alk1" and resid 71   and name HN  ))
   (( segid "alk1" and resid 70   and name HA  ))
      2.200     0.600     0.600 peak    95 spectrum    1 weight  0.11000E+01 volume  0.58016E-02 ppm1      9.069 ppm2      5.056 CV     1
 ASSI {   96}
   (( segid "alk1" and resid 71   and name HN  ))
   (( segid "alk1" and resid 71   and name HA  ))
      3.000     1.100     1.100 peak    96 spectrum    1 weight  0.11000E+01 volume  0.15713E-02 ppm1      9.068 ppm2      4.947 CV     1
 ASSI {   97}
   (( segid "alk1" and resid 71   and name HN  ))
   (( segid "alk1" and resid 71   and name HB1 ))
      2.500     0.800     0.800 peak    97 spectrum    1 weight  0.11000E+01 volume  0.33755E-02 ppm1      9.069 ppm2      2.957 CV     1
 ASSI {   98}
   (( segid "alk1" and resid 71   and name HN  ))
   (( segid "alk1" and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak    98 spectrum    1 weight  0.11000E+01 volume  0.23418E-02 ppm1      9.068 ppm2      2.841 CV     1
 ASSI {   99}
   (( segid "alk1" and resid 71   and name HN  ))
   (( segid "alk1" and resid 36   and name HB  ))
      5.300     3.600     0.700 peak    99 spectrum    1 weight  0.11000E+01 volume  0.14431E-03 ppm1      9.068 ppm2      1.951 CV     1
 ASSI {  102}
   (( segid "alk1" and resid 37   and name HN  ))
   (( segid "alk1" and resid 36   and name HA  ))
      2.200     0.600     0.600 peak   102 spectrum    1 weight  0.11000E+01 volume  0.57745E-02 ppm1      9.044 ppm2      4.755 CV     1
 ASSI {  103}
   (( segid "alk1" and resid 37   and name HN  ))
   (( segid "alk1" and resid 37   and name HB  ))
      2.900     1.000     1.000 peak   103 spectrum    1 weight  0.11000E+01 volume  0.28764E-02 ppm1      9.046 ppm2      1.839 CV     1
 ASSI {  104}
   (( segid "alk1" and resid 37   and name HN  ))
   (  segid "alk1" and resid 36   and name HG1%)
      4.600     2.600     1.400 peak   104 spectrum    1 weight  0.11000E+01 volume  0.43785E-03 ppm1      9.045 ppm2      1.135 CV     1
 ASSI {  105}
   (( segid "alk1" and resid 37   and name HN  ))
   (  segid "alk1" and resid 36   and name HG2%)
      2.800     1.000     1.000 peak   105 spectrum    1 weight  0.11000E+01 volume  0.30331E-02 ppm1      9.045 ppm2      0.897 CV     1
 ASSI {  106}
   (( segid "alk1" and resid 37   and name HN  ))
   (  segid "alk1" and resid 37   and name HG2%)
      3.200     1.200     1.200 peak   106 spectrum    1 weight  0.11000E+01 volume  0.10364E-02 ppm1      9.045 ppm2      0.777 CV     1
 ASSI {  109}
   (( segid "alk1" and resid 17   and name HN  ))
   (( segid "alk1" and resid 16   and name HA  ))
      2.200     0.600     0.600 peak   109 spectrum    1 weight  0.11000E+01 volume  0.66082E-02 ppm1      9.165 ppm2      4.885 CV     1
 ASSI {  110}
   (( segid "alk1" and resid 17   and name HN  ))
   (( segid "alk1" and resid 17   and name HB1 ))
      4.600     2.700     1.400 peak   110 spectrum    1 weight  0.11000E+01 volume  0.26520E-03 ppm1      9.166 ppm2      2.962 CV     1
 ASSI {  111}
   (( segid "alk1" and resid 17   and name HN  ))
   (( segid "alk1" and resid 17   and name HB2 ))
      2.900     1.100     1.100 peak   111 spectrum    1 weight  0.11000E+01 volume  0.12345E-02 ppm1      9.165 ppm2      2.854 CV     1
 ASSI {  112}
   (( segid "alk1" and resid 17   and name HN  ))
   (( segid "alk1" and resid 30   and name HG2 ))
      5.200     3.400     0.800 peak   112 spectrum    1 weight  0.11000E+01 volume  0.20055E-03 ppm1      9.165 ppm2      1.592 CV     1
 OR {  112}
   (( segid "alk1" and resid 17   and name HN  ))
   (( segid "alk1" and resid 30   and name HG1 ))
 ASSI {  113}
   (( segid "alk1" and resid 17   and name HN  ))
   (  segid "alk1" and resid 16   and name HG2%)
      2.700     0.900     0.900 peak   113 spectrum    1 weight  0.11000E+01 volume  0.27243E-02 ppm1      9.166 ppm2      1.163 CV     1
 ASSI {  115}
   (( segid "alk1" and resid 41   and name HN  ))
   (( segid "alk1" and resid 40   and name HA  ))
      2.100     0.500     0.500 peak   115 spectrum    1 weight  0.11000E+01 volume  0.13717E-01 ppm1      8.458 ppm2      4.522 CV     1
 ASSI {  116}
   (( segid "alk1" and resid 41   and name HN  ))
   (( segid "alk1" and resid 41   and name HA  ))
      2.600     0.800     0.800 peak   116 spectrum    1 weight  0.11000E+01 volume  0.39132E-02 ppm1      8.458 ppm2      4.404 CV     1
 ASSI {  118}
   (( segid "alk1" and resid 41   and name HN  ))
   (( segid "alk1" and resid 41   and name HG2 ))
      3.100     1.200     1.200 peak   118 spectrum    1 weight  0.11000E+01 volume  0.28242E-02 ppm1      8.459 ppm2      2.167 CV     1
 OR {  118}
   (( segid "alk1" and resid 41   and name HN  ))
   (( segid "alk1" and resid 41   and name HG1 ))
 ASSI {  120}
   (( segid "alk1" and resid 41   and name HN  ))
   (( segid "alk1" and resid 41   and name HB1 ))
      2.900     1.000     1.000 peak   120 spectrum    1 weight  0.11000E+01 volume  0.32419E-02 ppm1      8.458 ppm2      1.915 CV     1
 ASSI {  123}
   (( segid "alk1" and resid 41   and name HN  ))
   (( segid "alk1" and resid 40   and name HG1 ))
      3.300     1.400     1.400 peak   123 spectrum    1 weight  0.11000E+01 volume  0.14415E-02 ppm1      8.460 ppm2      1.498 CV     1
 ASSI {  124}
   (( segid "alk1" and resid 41   and name HN  ))
   (( segid "alk1" and resid 40   and name HG2 ))
      3.700     1.700     1.700 peak   124 spectrum    1 weight  0.11000E+01 volume  0.90085E-03 ppm1      8.459 ppm2      1.391 CV     1
 ASSI {  126}
   (( segid "alk1" and resid 86   and name HN  ))
   (( segid "alk1" and resid 86   and name HA  ))
      2.900     1.100     1.100 peak   126 spectrum    1 weight  0.11000E+01 volume  0.17320E-02 ppm1      8.058 ppm2      4.299 CV     1
 ASSI {  128}
   (( segid "alk1" and resid 86   and name HN  ))
   (( segid "alk1" and resid 86   and name HB1 ))
      2.400     0.700     0.700 peak   128 spectrum    1 weight  0.11000E+01 volume  0.78345E-02 ppm1      8.058 ppm2      1.522 CV     1
 OR {  128}
   (( segid "alk1" and resid 86   and name HN  ))
   (( segid "alk1" and resid 86   and name HB2 ))
 ASSI {  129}
   (( segid "alk1" and resid 86   and name HN  ))
   (  segid "alk1" and resid 85   and name HG2%)
      2.800     1.000     1.000 peak   129 spectrum    1 weight  0.11000E+01 volume  0.41586E-02 ppm1      8.057 ppm2      0.788 CV     1
 OR {  129}
   (( segid "alk1" and resid 86   and name HN  ))
   (  segid "alk1" and resid 85   and name HG1%)
 ASSI {  130}
   (( segid "alk1" and resid 101  and name HN  ))
   (( segid "alk1" and resid 101  and name HA  ))
      4.000     2.000     2.000 peak   130 spectrum    1 weight  0.11000E+01 volume  0.33715E-03 ppm1      7.790 ppm2      4.148 CV     1
 ASSI {  131}
   (( segid "alk1" and resid 86   and name HN  ))
   (( segid "alk1" and resid 85   and name HA  ))
      2.400     0.700     0.700 peak   131 spectrum    1 weight  0.11000E+01 volume  0.54376E-02 ppm1      8.056 ppm2      3.941 CV     1
 ASSI {  132}
   (( segid "alk1" and resid 101  and name HN  ))
   (( segid "alk1" and resid 101  and name HG2 ))
      4.900     3.000     1.100 peak   132 spectrum    1 weight  0.11000E+01 volume  0.14901E-03 ppm1      7.780 ppm2      2.247 CV     1
 OR {  132}
   (( segid "alk1" and resid 101  and name HN  ))
   (( segid "alk1" and resid 101  and name HG1 ))
 ASSI {  133}
   (( segid "alk1" and resid 101  and name HN  ))
   (( segid "alk1" and resid 101  and name HB2 ))
      3.500     1.600     1.600 peak   133 spectrum    1 weight  0.11000E+01 volume  0.72589E-03 ppm1      7.779 ppm2      1.922 CV     1
 ASSI {  134}
   (( segid "alk1" and resid 101  and name HN  ))
   (( segid "alk1" and resid 87   and name HA  ))
      3.000     3.000     3.000 peak   134 spectrum    1 weight  0.11000E+01 volume  0.45716E-03 ppm1      7.770 ppm2      4.187 CV     1
 ASSI {  136}
   (( segid "alk1" and resid 57   and name HN  ))
   (( segid "alk1" and resid 56   and name HA  ))
      3.300     1.300     1.300 peak   136 spectrum    1 weight  0.11000E+01 volume  0.81299E-03 ppm1      8.867 ppm2      4.992 CV     1
 ASSI {  137}
   (( segid "alk1" and resid 88   and name HN  ))
   (( segid "alk1" and resid 88   and name HA  ))
      2.900     1.000     1.000 peak   137 spectrum    1 weight  0.11000E+01 volume  0.23230E-02 ppm1      8.161 ppm2      4.303 CV     1
 ASSI {  138}
   (( segid "alk1" and resid 88   and name HN  ))
   (( segid "alk1" and resid 87   and name HA  ))
      2.400     0.700     0.700 peak   138 spectrum    1 weight  0.11000E+01 volume  0.60262E-02 ppm1      8.161 ppm2      4.189 CV     1
 ASSI {  139}
   (( segid "alk1" and resid 88   and name HN  ))
   (( segid "alk1" and resid 87   and name HG1 ))
      4.600     2.700     1.400 peak   139 spectrum    1 weight  0.11000E+01 volume  0.19766E-03 ppm1      8.161 ppm2      2.200 CV     1
 OR {  139}
   (( segid "alk1" and resid 88   and name HN  ))
   (( segid "alk1" and resid 87   and name HG2 ))
 ASSI {  140}
   (( segid "alk1" and resid 88   and name HN  ))
   (( segid "alk1" and resid 87   and name HB2 ))
      3.800     3.800     2.200 peak   140 spectrum    1 weight  0.11000E+01 volume  0.90018E-03 ppm1      8.161 ppm2      1.974 CV     1
 ASSI {  141}
   (( segid "alk1" and resid 88   and name HN  ))
   (( segid "alk1" and resid 87   and name HB1 ))
      3.800     1.800     1.800 peak   141 spectrum    1 weight  0.11000E+01 volume  0.47902E-03 ppm1      8.161 ppm2      1.835 CV     1
 ASSI {  142}
   (( segid "alk1" and resid 88   and name HN  ))
   (  segid "alk1" and resid 88   and name HB% )
      2.700     0.900     0.900 peak   142 spectrum    1 weight  0.11000E+01 volume  0.47037E-02 ppm1      8.161 ppm2      1.343 CV     1
 ASSI {  143}
   (( segid "alk1" and resid 88   and name HN  ))
   (  segid "alk1" and resid 85   and name HG2%)
      3.600     1.600     1.600 peak   143 spectrum    1 weight  0.11000E+01 volume  0.15449E-03 ppm1      8.162 ppm2      0.791 CV     1
 ASSI {  161}
   (( segid "alk1" and resid 72   and name HN  ))
   (( segid "alk1" and resid 71   and name HA  ))
      2.400     0.700     0.700 peak   161 spectrum    1 weight  0.11000E+01 volume  0.65643E-02 ppm1      7.905 ppm2      4.942 CV     1
 ASSI {  162}
   (( segid "alk1" and resid 72   and name HN  ))
   (( segid "alk1" and resid 72   and name HB1 ))
      3.300     1.300     1.300 peak   162 spectrum    1 weight  0.11000E+01 volume  0.18131E-02 ppm1      7.903 ppm2      2.914 CV     1
 ASSI {  165}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 52   and name HB2 ))
      4.000     2.000     2.000 peak   165 spectrum    1 weight  0.11000E+01 volume  0.34114E-03 ppm1      7.735 ppm2      2.467 CV     1
 ASSI {  166}
   (( segid "alk1" and resid 32   and name HN  ))
   (  segid "alk1" and resid 15   and name HG2%)
      6.000     6.000     0.000 peak   166 spectrum    1 weight  0.11000E+01 volume  0.26659E-04 ppm1      7.735 ppm2      0.774 CV     1
 OR {  166}
   (( segid "alk1" and resid 32   and name HN  ))
   (  segid "alk1" and resid 15   and name HG1%)
 ASSI {  169}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 31   and name HA2 ))
      3.200     1.300     1.300 peak   169 spectrum    1 weight  0.11000E+01 volume  0.34285E-02 ppm1      7.734 ppm2      3.336 CV     1
 ASSI {  170}
   (( segid "alk1" and resid 32   and name HN  ))
   (  segid "alk1" and resid 32   and name HB% )
      2.300     0.700     0.700 peak   170 spectrum    1 weight  0.11000E+01 volume  0.70376E-02 ppm1      7.734 ppm2      1.496 CV     1
 ASSI {  172}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 14   and name HA  ))
      5.500     5.500     0.500 peak   172 spectrum    1 weight  0.11000E+01 volume  0.54067E-04 ppm1      7.771 ppm2      4.522 CV     1
 ASSI {  173}
   (( segid "alk1" and resid 90   and name HN  ))
   (( segid "alk1" and resid 90   and name HA  ))
      3.300     1.400     1.400 peak   173 spectrum    1 weight  0.11000E+01 volume  0.91322E-03 ppm1      8.222 ppm2      4.615 CV     1
 ASSI {  174}
   (( segid "alk1" and resid 90   and name HN  ))
   (( segid "alk1" and resid 89   and name HA  ))
      2.400     0.700     0.700 peak   174 spectrum    1 weight  0.11000E+01 volume  0.70179E-02 ppm1      8.217 ppm2      4.267 CV     1
 ASSI {  176}
   (( segid "alk1" and resid 90   and name HN  ))
   (( segid "alk1" and resid 90   and name HG1 ))
      3.500     1.600     1.600 peak   176 spectrum    1 weight  0.11000E+01 volume  0.10467E-02 ppm1      8.218 ppm2      2.348 CV     1
 OR {  176}
   (( segid "alk1" and resid 90   and name HN  ))
   (( segid "alk1" and resid 90   and name HG2 ))
 ASSI {  177}
   (( segid "alk1" and resid 90   and name HN  ))
   (( segid "alk1" and resid 90   and name HB1 ))
      3.700     1.700     1.700 peak   177 spectrum    1 weight  0.11000E+01 volume  0.11817E-02 ppm1      8.217 ppm2      2.046 CV     1
 ASSI {  179}
   (( segid "alk1" and resid 90   and name HN  ))
   (  segid "alk1" and resid 89   and name HG2%)
      4.300     2.300     1.700 peak   179 spectrum    1 weight  0.11000E+01 volume  0.44644E-03 ppm1      8.218 ppm2      1.152 CV     1
 ASSI {  185}
   (( segid "alk1" and resid 21   and name HN  ))
   (( segid "alk1" and resid 25   and name HA  ))
      3.400     1.400     1.400 peak   185 spectrum    1 weight  0.11000E+01 volume  0.95499E-03 ppm1      7.771 ppm2      4.387 CV     1
 ASSI {  188}
   (( segid "alk1" and resid 21   and name HN  ))
   (( segid "alk1" and resid 22   and name HD2 ))
      5.300     3.500     0.700 peak   188 spectrum    1 weight  0.11000E+01 volume  0.11028E-03 ppm1      7.771 ppm2      3.180 CV     1
 ASSI {  189}
   (( segid "alk1" and resid 21   and name HN  ))
   (( segid "alk1" and resid 25   and name HE1 ))
      3.300     3.300     2.700 peak   189 spectrum    1 weight  0.11000E+01 volume  0.11756E-02 ppm1      7.771 ppm2      3.055 CV     1
 OR {  189}
   (( segid "alk1" and resid 21   and name HN  ))
   (( segid "alk1" and resid 25   and name HE2 ))
 ASSI {  190}
   (( segid "alk1" and resid 21   and name HN  ))
   (( segid "alk1" and resid 20   and name HG1 ))
      4.300     4.300     1.700 peak   190 spectrum    1 weight  0.11000E+01 volume  0.47064E-03 ppm1      7.772 ppm2      2.258 CV     1
 OR {  190}
   (( segid "alk1" and resid 21   and name HN  ))
   (( segid "alk1" and resid 20   and name HG2 ))
 ASSI {  191}
   (( segid "alk1" and resid 21   and name HN  ))
   (( segid "alk1" and resid 20   and name HB1 ))
      3.900     1.900     1.900 peak   191 spectrum    1 weight  0.11000E+01 volume  0.75046E-03 ppm1      7.771 ppm2      2.047 CV     1
 ASSI {  192}
   (( segid "alk1" and resid 21   and name HN  ))
   (( segid "alk1" and resid 20   and name HB2 ))
      4.300     2.300     1.700 peak   192 spectrum    1 weight  0.11000E+01 volume  0.72790E-03 ppm1      7.771 ppm2      1.841 CV     1
 ASSI {  194}
   (( segid "alk1" and resid 42   and name HN  ))
   (( segid "alk1" and resid 42   and name HA  ))
      2.600     0.800     0.800 peak   194 spectrum    1 weight  0.11000E+01 volume  0.39468E-02 ppm1      8.629 ppm2      4.035 CV     1
 ASSI {  195}
   (( segid "alk1" and resid 42   and name HN  ))
   (( segid "alk1" and resid 42   and name HG2 ))
      3.200     1.300     1.300 peak   195 spectrum    1 weight  0.11000E+01 volume  0.28279E-02 ppm1      8.628 ppm2      2.246 CV     1
 OR {  195}
   (( segid "alk1" and resid 42   and name HN  ))
   (( segid "alk1" and resid 42   and name HG1 ))
 ASSI {  197}
   (( segid "alk1" and resid 42   and name HN  ))
   (( segid "alk1" and resid 42   and name HB2 ))
      2.200     0.600     0.600 peak   197 spectrum    1 weight  0.11000E+01 volume  0.12716E-01 ppm1      8.629 ppm2      1.975 CV     1
 OR {  197}
   (( segid "alk1" and resid 42   and name HN  ))
   (( segid "alk1" and resid 42   and name HB1 ))
 ASSI {  198}
   (( segid "alk1" and resid 42   and name HN  ))
   (( segid "alk1" and resid 41   and name HB2 ))
      3.600     1.600     1.600 peak   198 spectrum    1 weight  0.11000E+01 volume  0.10988E-02 ppm1      8.630 ppm2      1.772 CV     1
 ASSI {  200}
   (( segid "alk1" and resid 77   and name HN  ))
   (( segid "alk1" and resid 17   and name HA  ))
      2.900     1.000     1.000 peak   200 spectrum    1 weight  0.11000E+01 volume  0.12898E-02 ppm1      9.771 ppm2      4.887 CV     1
 ASSI {  201}
   (( segid "alk1" and resid 77   and name HN  ))
   (( segid "alk1" and resid 76   and name HA  ))
      2.200     0.600     0.600 peak   201 spectrum    1 weight  0.11000E+01 volume  0.49146E-02 ppm1      9.772 ppm2      4.547 CV     1
 ASSI {  202}
   (( segid "alk1" and resid 77   and name HN  ))
   (( segid "alk1" and resid 78   and name HA  ))
      5.600     3.900     0.400 peak   202 spectrum    1 weight  0.11000E+01 volume  0.77960E-04 ppm1      9.772 ppm2      4.437 CV     1
 ASSI {  203}
   (( segid "alk1" and resid 77   and name HN  ))
   (( segid "alk1" and resid 77   and name HA  ))
      2.300     0.600     0.600 peak   203 spectrum    1 weight  0.11000E+01 volume  0.48174E-02 ppm1      9.772 ppm2      3.777 CV     1
 ASSI {  204}
   (( segid "alk1" and resid 77   and name HN  ))
   (( segid "alk1" and resid 76   and name HB1 ))
      3.600     1.600     1.600 peak   204 spectrum    1 weight  0.11000E+01 volume  0.91882E-03 ppm1      9.771 ppm2      3.076 CV     1
 OR {  204}
   (( segid "alk1" and resid 77   and name HN  ))
   (( segid "alk1" and resid 76   and name HB2 ))
 ASSI {  205}
   (( segid "alk1" and resid 77   and name HN  ))
   (( segid "alk1" and resid 77   and name HG  ))
      3.300     1.400     1.400 peak   205 spectrum    1 weight  0.11000E+01 volume  0.10634E-02 ppm1      9.772 ppm2      1.589 CV     1
 OR {  205}
   (( segid "alk1" and resid 77   and name HN  ))
   (( segid "alk1" and resid 77   and name HB2 ))
 OR {  205}
   (( segid "alk1" and resid 77   and name HN  ))
   (( segid "alk1" and resid 77   and name HB1 ))
 ASSI {  206}
   (( segid "alk1" and resid 77   and name HN  ))
   (  segid "alk1" and resid 15   and name HG1%)
      4.300     2.300     1.700 peak   206 spectrum    1 weight  0.11000E+01 volume  0.64989E-03 ppm1      9.771 ppm2      0.789 CV     1
 ASSI {  207}
   (( segid "alk1" and resid 77   and name HN  ))
   (  segid "alk1" and resid 77   and name HD1%)
      3.800     1.800     1.800 peak   207 spectrum    1 weight  0.11000E+01 volume  0.19203E-02 ppm1      9.772 ppm2      0.619 CV     1
 ASSI {  208}
   (( segid "alk1" and resid 77   and name HN  ))
   (  segid "alk1" and resid 77   and name HD2%)
      2.800     1.000     1.000 peak   208 spectrum    1 weight  0.11000E+01 volume  0.31365E-02 ppm1      9.772 ppm2      0.544 CV     1
 ASSI {  211}
   (( segid "alk1" and resid 49   and name HN  ))
   (( segid "alk1" and resid 38   and name HA  ))
      3.700     1.700     1.700 peak   211 spectrum    1 weight  0.11000E+01 volume  0.46712E-03 ppm1      9.193 ppm2      4.886 CV     1
 ASSI {  212}
   (( segid "alk1" and resid 49   and name HN  ))
   (( segid "alk1" and resid 49   and name HB1 ))
      3.800     1.800     1.800 peak   212 spectrum    1 weight  0.11000E+01 volume  0.99556E-03 ppm1      9.196 ppm2      3.150 CV     1
 ASSI {  213}
   (( segid "alk1" and resid 49   and name HN  ))
   (( segid "alk1" and resid 49   and name HB2 ))
      2.800     0.900     0.900 peak   213 spectrum    1 weight  0.11000E+01 volume  0.16446E-02 ppm1      9.197 ppm2      3.037 CV     1
 ASSI {  216}
   (( segid "alk1" and resid 49   and name HN  ))
   (  segid "alk1" and resid 37   and name HG2%)
      3.500     1.500     1.500 peak   216 spectrum    1 weight  0.11000E+01 volume  0.74564E-03 ppm1      9.194 ppm2      0.773 CV     1
 ASSI {  220}
   (( segid "alk1" and resid 36   and name HN  ))
   (( segid "alk1" and resid 72   and name HA  ))
      4.800     2.900     1.200 peak   220 spectrum    1 weight  0.11000E+01 volume  0.24712E-03 ppm1      8.842 ppm2      5.815 CV     1
 ASSI {  223}
   (( segid "alk1" and resid 36   and name HN  ))
   (  segid "alk1" and resid 35   and name HG2%)
      3.900     1.900     1.900 peak   223 spectrum    1 weight  0.11000E+01 volume  0.12483E-02 ppm1      8.841 ppm2      1.237 CV     1
 ASSI {  224}
   (( segid "alk1" and resid 36   and name HN  ))
   (  segid "alk1" and resid 84   and name HD1%)
      4.200     2.200     1.800 peak   224 spectrum    1 weight  0.11000E+01 volume  0.80229E-03 ppm1      8.836 ppm2      0.689 CV     1
 ASSI {  231}
   (( segid "alk1" and resid 11   and name HN  ))
   (( segid "alk1" and resid 55   and name HA  ))
      3.400     1.400     1.400 peak   231 spectrum    1 weight  0.11000E+01 volume  0.10653E-02 ppm1      8.329 ppm2      4.669 CV     1
 ASSI {  232}
   (( segid "alk1" and resid 11   and name HN  ))
   (( segid "alk1" and resid 11   and name HG2 ))
      4.100     2.100     1.900 peak   232 spectrum    1 weight  0.11000E+01 volume  0.60463E-03 ppm1      8.328 ppm2      1.669 CV     1
 OR {  232}
   (( segid "alk1" and resid 11   and name HN  ))
   (( segid "alk1" and resid 11   and name HG1 ))
 ASSI {  233}
   (( segid "alk1" and resid 11   and name HN  ))
   (( segid "alk1" and resid 8    and name HB1 ))
      3.600     1.600     1.600 peak   233 spectrum    1 weight  0.11000E+01 volume  0.81949E-03 ppm1      8.324 ppm2      1.786 CV     1
 ASSI {  234}
   (( segid "alk1" and resid 50   and name HN  ))
   (( segid "alk1" and resid 49   and name HB2 ))
      3.900     1.900     1.900 peak   234 spectrum    1 weight  0.11000E+01 volume  0.95419E-03 ppm1      8.849 ppm2      3.033 CV     1
 ASSI {  235}
   (( segid "alk1" and resid 50   and name HN  ))
   (( segid "alk1" and resid 20   and name HB1 ))
      3.500     1.500     1.500 peak   235 spectrum    1 weight  0.11000E+01 volume  0.43852E-03 ppm1      8.848 ppm2      2.047 CV     1
 ASSI {  236}
   (( segid "alk1" and resid 50   and name HN  ))
   (( segid "alk1" and resid 50   and name HG2 ))
      3.100     1.200     1.200 peak   236 spectrum    1 weight  0.11000E+01 volume  0.93458E-03 ppm1      8.847 ppm2      1.494 CV     1
 OR {  236}
   (( segid "alk1" and resid 50   and name HN  ))
   (( segid "alk1" and resid 50   and name HG1 ))
 ASSI {  239}
   (( segid "alk1" and resid 94   and name HN  ))
   (( segid "alk1" and resid 81   and name HA  ))
      4.100     4.100     1.900 peak   239 spectrum    1 weight  0.11000E+01 volume  0.30070E-03 ppm1      8.331 ppm2      4.541 CV     1
 ASSI {  241}
   (( segid "alk1" and resid 94   and name HN  ))
   (( segid "alk1" and resid 93   and name HB1 ))
      4.300     4.300     1.700 peak   241 spectrum    1 weight  0.11000E+01 volume  0.25572E-03 ppm1      8.364 ppm2      3.854 CV     1
 OR {  241}
   (( segid "alk1" and resid 94   and name HN  ))
   (( segid "alk1" and resid 93   and name HB2 ))
 ASSI {  244}
   (( segid "alk1" and resid 11   and name HN  ))
   (( segid "alk1" and resid 8    and name HA  ))
      4.800     2.900     1.200 peak   244 spectrum    1 weight  0.11000E+01 volume  0.26291E-04 ppm1      8.333 ppm2      4.600 CV     1
 ASSI {  248}
   (( segid "alk1" and resid 50   and name HN  ))
   (( segid "alk1" and resid 49   and name HA  ))
      2.300     0.600     0.600 peak   248 spectrum    1 weight  0.11000E+01 volume  0.50356E-02 ppm1      8.846 ppm2      5.394 CV     1
 ASSI {  249}
   (( segid "alk1" and resid 50   and name HN  ))
   (( segid "alk1" and resid 49   and name HB1 ))
      3.000     1.100     1.100 peak   249 spectrum    1 weight  0.11000E+01 volume  0.19170E-02 ppm1      8.847 ppm2      3.155 CV     1
 ASSI {  252}
   (( segid "alk1" and resid 48   and name HN  ))
   (( segid "alk1" and resid 47   and name HA  ))
      2.300     0.600     0.600 peak   252 spectrum    1 weight  0.11000E+01 volume  0.65402E-02 ppm1      8.748 ppm2      4.601 CV     1
 ASSI {  253}
   (( segid "alk1" and resid 48   and name HN  ))
   (( segid "alk1" and resid 47   and name HG1 ))
      4.600     2.700     1.400 peak   253 spectrum    1 weight  0.11000E+01 volume  0.58697E-03 ppm1      8.749 ppm2      2.334 CV     1
 OR {  253}
   (( segid "alk1" and resid 48   and name HN  ))
   (( segid "alk1" and resid 47   and name HG2 ))
 ASSI {  256}
   (( segid "alk1" and resid 48   and name HN  ))
   (  segid "alk1" and resid 38   and name HD1%)
      3.600     1.600     1.600 peak   256 spectrum    1 weight  0.11000E+01 volume  0.62203E-03 ppm1      8.749 ppm2      0.776 CV     1
 ASSI {  258}
   (( segid "alk1" and resid 99   and name HN  ))
   (( segid "alk1" and resid 99   and name HA  ))
      3.200     1.200     1.200 peak   258 spectrum    1 weight  0.11000E+01 volume  0.13380E-02 ppm1      8.419 ppm2      4.604 CV     1
 ASSI {  261}
   (( segid "alk1" and resid 99   and name HN  ))
   (( segid "alk1" and resid 98   and name HA  ))
      2.900     1.000     1.000 peak   261 spectrum    1 weight  0.11000E+01 volume  0.24836E-02 ppm1      8.411 ppm2      4.363 CV     1
 ASSI {  262}
   (( segid "alk1" and resid 99   and name HN  ))
   (( segid "alk1" and resid 98   and name HB  ))
      4.300     2.300     1.700 peak   262 spectrum    1 weight  0.11000E+01 volume  0.23171E-03 ppm1      8.410 ppm2      4.262 CV     1
 ASSI {  263}
   (( segid "alk1" and resid 99   and name HN  ))
   (( segid "alk1" and resid 99   and name HB1 ))
      3.400     1.500     1.500 peak   263 spectrum    1 weight  0.11000E+01 volume  0.10454E-02 ppm1      8.412 ppm2      2.681 CV     1
 OR {  263}
   (( segid "alk1" and resid 99   and name HN  ))
   (( segid "alk1" and resid 99   and name HB2 ))
 ASSI {  264}
   (( segid "alk1" and resid 99   and name HN  ))
   (( segid "alk1" and resid 88   and name HA  ))
      2.600     2.600     3.400 peak   264 spectrum    1 weight  0.11000E+01 volume  0.94688E-03 ppm1      8.380 ppm2      4.315 CV     1
 ASSI {  266}
   (( segid "alk1" and resid 94   and name HN  ))
   (( segid "alk1" and resid 93   and name HA  ))
      2.300     2.300     3.700 peak   266 spectrum    1 weight  0.11000E+01 volume  0.94946E-02 ppm1      8.339 ppm2      4.384 CV     1
 ASSI {  267}
   (( segid "alk1" and resid 94   and name HN  ))
   (( segid "alk1" and resid 92   and name HB2 ))
      3.500     3.500     2.500 peak   267 spectrum    1 weight  0.11000E+01 volume  0.68241E-03 ppm1      8.339 ppm2      2.241 CV     1
 ASSI {  269}
   (( segid "alk1" and resid 94   and name HN  ))
   (( segid "alk1" and resid 94   and name HB2 ))
      2.700     2.700     3.300 peak   269 spectrum    1 weight  0.11000E+01 volume  0.30503E-02 ppm1      8.336 ppm2      2.042 CV     1
 ASSI {  270}
   (( segid "alk1" and resid 94   and name HN  ))
   (( segid "alk1" and resid 94   and name HB1 ))
      2.600     0.800     0.800 peak   270 spectrum    1 weight  0.11000E+01 volume  0.57487E-02 ppm1      8.335 ppm2      1.891 CV     1
 ASSI {  272}
   (( segid "alk1" and resid 94   and name HN  ))
   (( segid "alk1" and resid 83   and name HA  ))
      4.900     4.900     1.100 peak   272 spectrum    1 weight  0.11000E+01 volume  0.85925E-04 ppm1      8.328 ppm2      4.819 CV     1
 ASSI {  273}
   (( segid "alk1" and resid 94   and name HN  ))
   (( segid "alk1" and resid 95   and name HA  ))
      4.000     4.000     2.000 peak   273 spectrum    1 weight  0.11000E+01 volume  0.43990E-03 ppm1      8.330 ppm2      4.491 CV     1
 ASSI {  276}
   (( segid "alk1" and resid 94   and name HN  ))
   (( segid "alk1" and resid 94   and name HA  ))
      6.000     5.400     0.000 peak   276 spectrum    1 weight  0.11000E+01 volume  0.15256E-04 ppm1      8.330 ppm2      4.647 CV     1
 ASSI {  294}
   (( segid "alk1" and resid 95   and name HN  ))
   (( segid "alk1" and resid 94   and name HA  ))
      3.300     1.300     1.300 peak   294 spectrum    1 weight  0.11000E+01 volume  0.10955E-02 ppm1      8.301 ppm2      4.665 CV     1
 ASSI {  297}
   (( segid "alk1" and resid 95   and name HN  ))
   (( segid "alk1" and resid 95   and name HA  ))
      4.000     4.000     2.000 peak   297 spectrum    1 weight  0.11000E+01 volume  0.26551E-03 ppm1      8.321 ppm2      4.432 CV     1
 ASSI {  304}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 17   and name HA  ))
      2.500     0.800     0.800 peak   304 spectrum    1 weight  0.11000E+01 volume  0.34104E-02 ppm1      8.932 ppm2      4.884 CV     1
 ASSI {  306}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 77   and name HA  ))
      3.300     1.400     1.400 peak   306 spectrum    1 weight  0.11000E+01 volume  0.76823E-03 ppm1      8.932 ppm2      3.777 CV     1
 ASSI {  307}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 18   and name HB  ))
      2.400     0.700     0.700 peak   307 spectrum    1 weight  0.11000E+01 volume  0.39461E-02 ppm1      8.932 ppm2      3.489 CV     1
 ASSI {  308}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 17   and name HB1 ))
      2.900     1.100     1.100 peak   308 spectrum    1 weight  0.11000E+01 volume  0.12515E-02 ppm1      8.932 ppm2      2.968 CV     1
 ASSI {  309}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 17   and name HB2 ))
      3.800     1.800     1.800 peak   309 spectrum    1 weight  0.11000E+01 volume  0.94849E-03 ppm1      8.933 ppm2      2.855 CV     1
 ASSI {  310}
   (( segid "alk1" and resid 18   and name HN  ))
   (  segid "alk1" and resid 18   and name HG2%)
      4.100     2.100     1.900 peak   310 spectrum    1 weight  0.11000E+01 volume  0.92710E-03 ppm1      8.932 ppm2      1.222 CV     1
 ASSI {  311}
   (( segid "alk1" and resid 18   and name HN  ))
   (  segid "alk1" and resid 77   and name HD2%)
      3.600     1.600     1.600 peak   311 spectrum    1 weight  0.11000E+01 volume  0.10878E-02 ppm1      8.932 ppm2      0.542 CV     1
 ASSI {  312}
   (( segid "alk1" and resid 70   and name HN  ))
   (( segid "alk1" and resid 69   and name HA  ))
      2.800     1.000     1.000 peak   312 spectrum    1 weight  0.11000E+01 volume  0.25576E-02 ppm1      8.124 ppm2      4.902 CV     1
 ASSI {  314}
   (( segid "alk1" and resid 70   and name HN  ))
   (  segid "alk1" and resid 68   and name HG2%)
      3.700     1.700     1.700 peak   314 spectrum    1 weight  0.11000E+01 volume  0.54818E-03 ppm1      8.124 ppm2      0.959 CV     1
 OR {  314}
   (( segid "alk1" and resid 70   and name HN  ))
   (  segid "alk1" and resid 68   and name HG1%)
 ASSI {  317}
   (( segid "alk1" and resid 69   and name HN  ))
   (( segid "alk1" and resid 69   and name HA  ))
      3.500     1.500     1.500 peak   317 spectrum    1 weight  0.11000E+01 volume  0.72046E-03 ppm1      8.458 ppm2      4.902 CV     1
 ASSI {  320}
   (( segid "alk1" and resid 69   and name HN  ))
   (( segid "alk1" and resid 68   and name HA  ))
      2.600     0.800     0.800 peak   320 spectrum    1 weight  0.11000E+01 volume  0.36863E-02 ppm1      8.455 ppm2      4.397 CV     1
 ASSI {  322}
   (( segid "alk1" and resid 69   and name HN  ))
   (  segid "alk1" and resid 68   and name HG2%)
      3.200     1.300     1.300 peak   322 spectrum    1 weight  0.11000E+01 volume  0.15970E-02 ppm1      8.456 ppm2      0.963 CV     1
 ASSI {  327}
   (( segid "alk1" and resid 63   and name HN  ))
   (( segid "alk1" and resid 63   and name HA  ))
      3.900     1.900     1.900 peak   327 spectrum    1 weight  0.11000E+01 volume  0.34694E-03 ppm1      8.217 ppm2      4.768 CV     1
 ASSI {  328}
   (( segid "alk1" and resid 63   and name HN  ))
   (( segid "alk1" and resid 62   and name HA1 ))
      2.800     1.000     1.000 peak   328 spectrum    1 weight  0.11000E+01 volume  0.30323E-02 ppm1      8.218 ppm2      4.142 CV     1
 ASSI {  330}
   (( segid "alk1" and resid 63   and name HN  ))
   (( segid "alk1" and resid 63   and name HB1 ))
      3.500     1.600     1.600 peak   330 spectrum    1 weight  0.11000E+01 volume  0.17789E-02 ppm1      8.217 ppm2      1.870 CV     1
 ASSI {  331}
   (( segid "alk1" and resid 63   and name HN  ))
   (( segid "alk1" and resid 63   and name HB2 ))
      2.400     0.700     0.700 peak   331 spectrum    1 weight  0.11000E+01 volume  0.44288E-02 ppm1      8.216 ppm2      1.701 CV     1
 ASSI {  332}
   (( segid "alk1" and resid 87   and name HN  ))
   (( segid "alk1" and resid 86   and name HA  ))
      2.400     0.700     0.700 peak   332 spectrum    1 weight  0.11000E+01 volume  0.60839E-02 ppm1      8.048 ppm2      4.297 CV     1
 ASSI {  333}
   (( segid "alk1" and resid 87   and name HN  ))
   (( segid "alk1" and resid 87   and name HG2 ))
      3.700     1.800     1.800 peak   333 spectrum    1 weight  0.11000E+01 volume  0.11896E-02 ppm1      8.049 ppm2      2.199 CV     1
 OR {  333}
   (( segid "alk1" and resid 87   and name HN  ))
   (( segid "alk1" and resid 87   and name HG1 ))
 ASSI {  334}
   (( segid "alk1" and resid 87   and name HN  ))
   (( segid "alk1" and resid 87   and name HB2 ))
      3.100     3.100     2.900 peak   334 spectrum    1 weight  0.11000E+01 volume  0.17215E-02 ppm1      8.048 ppm2      1.972 CV     1
 ASSI {  335}
   (( segid "alk1" and resid 87   and name HN  ))
   (( segid "alk1" and resid 87   and name HB1 ))
      2.800     1.000     1.000 peak   335 spectrum    1 weight  0.11000E+01 volume  0.27991E-02 ppm1      8.047 ppm2      1.832 CV     1
 ASSI {  336}
   (( segid "alk1" and resid 87   and name HN  ))
   (( segid "alk1" and resid 86   and name HB2 ))
      3.000     1.100     1.100 peak   336 spectrum    1 weight  0.11000E+01 volume  0.25466E-02 ppm1      8.047 ppm2      1.511 CV     1
 OR {  336}
   (( segid "alk1" and resid 87   and name HN  ))
   (( segid "alk1" and resid 86   and name HB1 ))
 ASSI {  337}
   (( segid "alk1" and resid 87   and name HN  ))
   (  segid "alk1" and resid 85   and name HG2%)
      3.200     1.300     1.300 peak   337 spectrum    1 weight  0.11000E+01 volume  0.13777E-02 ppm1      8.046 ppm2      0.779 CV     1
 ASSI {  342}
   (( segid "alk1" and resid 16   and name HN  ))
   (( segid "alk1" and resid 15   and name HA  ))
      2.200     0.600     0.600 peak   342 spectrum    1 weight  0.11000E+01 volume  0.85258E-02 ppm1      8.891 ppm2      4.462 CV     1
 ASSI {  343}
   (( segid "alk1" and resid 16   and name HN  ))
   (( segid "alk1" and resid 16   and name HB  ))
      2.500     0.800     0.800 peak   343 spectrum    1 weight  0.11000E+01 volume  0.36923E-02 ppm1      8.890 ppm2      4.140 CV     1
 ASSI {  344}
   (( segid "alk1" and resid 16   and name HN  ))
   (( segid "alk1" and resid 15   and name HB  ))
      3.200     1.300     1.300 peak   344 spectrum    1 weight  0.11000E+01 volume  0.23839E-02 ppm1      8.891 ppm2      1.842 CV     1
 ASSI {  345}
   (( segid "alk1" and resid 16   and name HN  ))
   (  segid "alk1" and resid 16   and name HG2%)
      4.000     2.000     2.000 peak   345 spectrum    1 weight  0.11000E+01 volume  0.95677E-03 ppm1      8.891 ppm2      1.162 CV     1
 ASSI {  346}
   (( segid "alk1" and resid 16   and name HN  ))
   (  segid "alk1" and resid 15   and name HG1%)
      2.900     1.000     1.000 peak   346 spectrum    1 weight  0.11000E+01 volume  0.32177E-02 ppm1      8.891 ppm2      0.789 CV     1
 ASSI {  347}
   (( segid "alk1" and resid 15   and name HN  ))
   (( segid "alk1" and resid 76   and name HA  ))
      2.700     2.700     3.300 peak   347 spectrum    1 weight  0.11000E+01 volume  0.10273E-01 ppm1      9.115 ppm2      4.577 CV     1
 ASSI {  350}
   (( segid "alk1" and resid 15   and name HN  ))
   (( segid "alk1" and resid 14   and name HB2 ))
      3.300     1.300     1.300 peak   350 spectrum    1 weight  0.11000E+01 volume  0.29172E-02 ppm1      9.110 ppm2      1.227 CV     1
 ASSI {  351}
   (( segid "alk1" and resid 15   and name HN  ))
   (  segid "alk1" and resid 15   and name HG2%)
      2.500     0.800     0.800 peak   351 spectrum    1 weight  0.11000E+01 volume  0.59605E-02 ppm1      9.111 ppm2      0.788 CV     1
 ASSI {  352}
   (( segid "alk1" and resid 15   and name HN  ))
   (  segid "alk1" and resid 14   and name HD2%)
      3.300     1.400     1.400 peak   352 spectrum    1 weight  0.11000E+01 volume  0.20445E-02 ppm1      9.111 ppm2      0.649 CV     1
 ASSI {  353}
   (( segid "alk1" and resid 74   and name HN  ))
   (( segid "alk1" and resid 74   and name HA  ))
      2.800     1.000     1.000 peak   353 spectrum    1 weight  0.11000E+01 volume  0.24614E-02 ppm1      8.534 ppm2      5.165 CV     1
 ASSI {  354}
   (( segid "alk1" and resid 47   and name HN  ))
   (( segid "alk1" and resid 38   and name HA  ))
      3.300     1.400     1.400 peak   354 spectrum    1 weight  0.11000E+01 volume  0.17000E-02 ppm1      8.531 ppm2      4.878 CV     1
 ASSI {  355}
   (( segid "alk1" and resid 74   and name HN  ))
   (( segid "alk1" and resid 73   and name HA  ))
      2.300     0.700     0.700 peak   355 spectrum    1 weight  0.11000E+01 volume  0.75744E-02 ppm1      8.532 ppm2      4.781 CV     1
 ASSI {  356}
   (( segid "alk1" and resid 74   and name HN  ))
   (( segid "alk1" and resid 78   and name HB1 ))
      6.000     6.000     0.000 peak   356 spectrum    1 weight  0.11000E+01 volume  0.25458E-04 ppm1      8.533 ppm2      3.857 CV     1
 ASSI {  357}
   (( segid "alk1" and resid 74   and name HN  ))
   (( segid "alk1" and resid 73   and name HB2 ))
      3.200     1.300     1.300 peak   357 spectrum    1 weight  0.11000E+01 volume  0.34875E-02 ppm1      8.534 ppm2      3.564 CV     1
 ASSI {  358}
   (( segid "alk1" and resid 74   and name HN  ))
   (( segid "alk1" and resid 78   and name HB2 ))
      6.000     6.000     0.000 peak   358 spectrum    1 weight  0.11000E+01 volume  0.37905E-04 ppm1      8.534 ppm2      3.438 CV     1
 ASSI {  359}
   (( segid "alk1" and resid 74   and name HN  ))
   (( segid "alk1" and resid 73   and name HB1 ))
      2.300     0.700     0.700 peak   359 spectrum    1 weight  0.11000E+01 volume  0.40574E-02 ppm1      8.536 ppm2      3.176 CV     1
 ASSI {  360}
   (( segid "alk1" and resid 74   and name HN  ))
   (( segid "alk1" and resid 74   and name HB1 ))
      2.900     1.100     1.100 peak   360 spectrum    1 weight  0.11000E+01 volume  0.23238E-02 ppm1      8.534 ppm2      2.916 CV     1
 ASSI {  361}
   (( segid "alk1" and resid 74   and name HN  ))
   (( segid "alk1" and resid 74   and name HB2 ))
      2.700     0.900     0.900 peak   361 spectrum    1 weight  0.11000E+01 volume  0.33152E-02 ppm1      8.534 ppm2      2.672 CV     1
 ASSI {  362}
   (( segid "alk1" and resid 47   and name HN  ))
   (( segid "alk1" and resid 46   and name HA  ))
      2.100     0.500     0.500 peak   362 spectrum    1 weight  0.11000E+01 volume  0.99713E-02 ppm1      8.527 ppm2      4.647 CV     1
 ASSI {  363}
   (( segid "alk1" and resid 47   and name HN  ))
   (( segid "alk1" and resid 40   and name HA  ))
      2.900     2.900     3.100 peak   363 spectrum    1 weight  0.11000E+01 volume  0.39022E-02 ppm1      8.529 ppm2      4.536 CV     1
 ASSI {  364}
   (( segid "alk1" and resid 47   and name HN  ))
   (( segid "alk1" and resid 47   and name HG2 ))
      3.000     1.200     1.200 peak   364 spectrum    1 weight  0.11000E+01 volume  0.17696E-02 ppm1      8.528 ppm2      2.336 CV     1
 OR {  364}
   (( segid "alk1" and resid 47   and name HN  ))
   (( segid "alk1" and resid 47   and name HG1 ))
 ASSI {  365}
   (( segid "alk1" and resid 47   and name HN  ))
   (( segid "alk1" and resid 46   and name HB1 ))
      3.100     1.200     1.200 peak   365 spectrum    1 weight  0.11000E+01 volume  0.41677E-02 ppm1      8.528 ppm2      2.046 CV     1
 ASSI {  366}
   (( segid "alk1" and resid 47   and name HN  ))
   (( segid "alk1" and resid 47   and name HB2 ))
      2.200     0.600     0.600 peak   366 spectrum    1 weight  0.11000E+01 volume  0.58898E-02 ppm1      8.528 ppm2      1.793 CV     1
 ASSI {  367}
   (( segid "alk1" and resid 47   and name HN  ))
   (  segid "alk1" and resid 38   and name HD1%)
      2.700     0.900     0.900 peak   367 spectrum    1 weight  0.11000E+01 volume  0.26056E-02 ppm1      8.529 ppm2      0.781 CV     1
 ASSI {  368}
   (( segid "alk1" and resid 47   and name HN  ))
   (  segid "alk1" and resid 39   and name HG2%)
      4.400     2.500     1.600 peak   368 spectrum    1 weight  0.11000E+01 volume  0.33395E-03 ppm1      8.528 ppm2      0.585 CV     1
 ASSI {  369}
   (( segid "alk1" and resid 7    and name HN  ))
   (( segid "alk1" and resid 6    and name HA  ))
      2.300     0.700     0.700 peak   369 spectrum    1 weight  0.11000E+01 volume  0.64704E-02 ppm1      8.140 ppm2      4.412 CV     1
 ASSI {  370}
   (( segid "alk1" and resid 7    and name HN  ))
   (( segid "alk1" and resid 7    and name HA  ))
      3.100     1.200     1.200 peak   370 spectrum    1 weight  0.11000E+01 volume  0.13684E-02 ppm1      8.140 ppm2      4.005 CV     1
 ASSI {  371}
   (( segid "alk1" and resid 7    and name HN  ))
   (( segid "alk1" and resid 6    and name HB1 ))
      4.600     2.600     1.400 peak   371 spectrum    1 weight  0.11000E+01 volume  0.34955E-03 ppm1      8.141 ppm2      2.251 CV     1
 ASSI {  372}
   (( segid "alk1" and resid 7    and name HN  ))
   (( segid "alk1" and resid 7    and name HB  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.11000E+01 volume  0.30724E-02 ppm1      8.140 ppm2      2.007 CV     1
 ASSI {  373}
   (( segid "alk1" and resid 7    and name HN  ))
   (( segid "alk1" and resid 6    and name HB2 ))
      3.800     1.800     1.800 peak   373 spectrum    1 weight  0.11000E+01 volume  0.55361E-03 ppm1      8.140 ppm2      1.881 CV     1
 ASSI {  374}
   (( segid "alk1" and resid 7    and name HN  ))
   (  segid "alk1" and resid 7    and name HG1%)
      3.200     1.300     1.300 peak   374 spectrum    1 weight  0.11000E+01 volume  0.24137E-02 ppm1      8.141 ppm2      0.915 CV     1
 ASSI {  375}
   (( segid "alk1" and resid 7    and name HN  ))
   (  segid "alk1" and resid 55   and name HD2%)
      5.200     3.400     0.800 peak   375 spectrum    1 weight  0.11000E+01 volume  0.74000E-04 ppm1      8.142 ppm2      0.813 CV     1
 ASSI {  382}
   (( segid "alk1" and resid 14   and name HN  ))
   (( segid "alk1" and resid 13   and name HD2 ))
      3.800     1.800     1.800 peak   382 spectrum    1 weight  0.11000E+01 volume  0.10450E-03 ppm1      8.020 ppm2      3.647 CV     1
 ASSI {  383}
   (( segid "alk1" and resid 14   and name HN  ))
   (  segid "alk1" and resid 14   and name HD1%)
      3.600     1.600     1.600 peak   383 spectrum    1 weight  0.11000E+01 volume  0.15765E-02 ppm1      8.020 ppm2      0.770 CV     1
 ASSI {  384}
   (( segid "alk1" and resid 14   and name HN  ))
   (( segid "alk1" and resid 14   and name HA  ))
      2.300     0.700     0.700 peak   384 spectrum    1 weight  0.11000E+01 volume  0.63558E-02 ppm1      8.019 ppm2      4.517 CV     1
 ASSI {  385}
   (( segid "alk1" and resid 14   and name HN  ))
   (( segid "alk1" and resid 13   and name HA  ))
      2.200     0.600     0.600 peak   385 spectrum    1 weight  0.11000E+01 volume  0.98503E-02 ppm1      8.019 ppm2      4.431 CV     1
 ASSI {  386}
   (( segid "alk1" and resid 14   and name HN  ))
   (( segid "alk1" and resid 13   and name HB1 ))
      3.800     1.800     1.800 peak   386 spectrum    1 weight  0.11000E+01 volume  0.97246E-03 ppm1      8.019 ppm2      2.257 CV     1
 ASSI {  387}
   (( segid "alk1" and resid 14   and name HN  ))
   (( segid "alk1" and resid 13   and name HB2 ))
      3.200     1.300     1.300 peak   387 spectrum    1 weight  0.11000E+01 volume  0.13952E-02 ppm1      8.019 ppm2      1.975 CV     1
 ASSI {  388}
   (( segid "alk1" and resid 14   and name HN  ))
   (( segid "alk1" and resid 14   and name HB1 ))
      2.800     1.000     1.000 peak   388 spectrum    1 weight  0.11000E+01 volume  0.81677E-02 ppm1      8.020 ppm2      1.576 CV     1
 ASSI {  389}
   (( segid "alk1" and resid 14   and name HN  ))
   (( segid "alk1" and resid 14   and name HB2 ))
      2.800     0.900     0.900 peak   389 spectrum    1 weight  0.11000E+01 volume  0.17999E-02 ppm1      8.019 ppm2      1.226 CV     1
 ASSI {  390}
   (( segid "alk1" and resid 14   and name HN  ))
   (  segid "alk1" and resid 14   and name HD2%)
      3.700     1.700     1.700 peak   390 spectrum    1 weight  0.11000E+01 volume  0.12313E-02 ppm1      8.019 ppm2      0.649 CV     1
 ASSI {  391}
   (( segid "alk1" and resid 68   and name HN  ))
   (( segid "alk1" and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   391 spectrum    1 weight  0.11000E+01 volume  0.38070E-02 ppm1      7.795 ppm2      4.606 CV     1
 ASSI {  392}
   (( segid "alk1" and resid 68   and name HN  ))
   (( segid "alk1" and resid 65   and name HB  ))
      5.100     5.100     0.900 peak   392 spectrum    1 weight  0.11000E+01 volume  0.75583E-04 ppm1      7.795 ppm2      4.510 CV     1
 ASSI {  393}
   (( segid "alk1" and resid 68   and name HN  ))
   (( segid "alk1" and resid 67   and name HB2 ))
      3.600     1.600     1.600 peak   393 spectrum    1 weight  0.11000E+01 volume  0.92904E-03 ppm1      7.795 ppm2      2.982 CV     1
 ASSI {  394}
   (( segid "alk1" and resid 68   and name HN  ))
   (( segid "alk1" and resid 68   and name HB  ))
      2.700     0.900     0.900 peak   394 spectrum    1 weight  0.11000E+01 volume  0.31521E-02 ppm1      7.795 ppm2      2.093 CV     1
 ASSI {  395}
   (( segid "alk1" and resid 68   and name HN  ))
   (  segid "alk1" and resid 68   and name HG1%)
      2.600     0.800     0.800 peak   395 spectrum    1 weight  0.11000E+01 volume  0.49394E-02 ppm1      7.795 ppm2      0.969 CV     1
 ASSI {  396}
   (( segid "alk1" and resid 68   and name HN  ))
   (( segid "alk1" and resid 68   and name HA  ))
      2.700     2.700     3.300 peak   396 spectrum    1 weight  0.11000E+01 volume  0.33119E-02 ppm1      7.774 ppm2      4.425 CV     1
 ASSI {  398}
   (( segid "alk1" and resid 80   and name HN  ))
   (( segid "alk1" and resid 77   and name HA  ))
      3.900     1.900     1.900 peak   398 spectrum    1 weight  0.11000E+01 volume  0.26222E-03 ppm1      7.771 ppm2      3.781 CV     1
 ASSI {  399}
   (( segid "alk1" and resid 80   and name HN  ))
   (( segid "alk1" and resid 18   and name HB  ))
      4.700     2.700     1.300 peak   399 spectrum    1 weight  0.11000E+01 volume  0.19244E-03 ppm1      7.768 ppm2      3.489 CV     1
 ASSI {  400}
   (( segid "alk1" and resid 80   and name HN  ))
   (( segid "alk1" and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak   400 spectrum    1 weight  0.11000E+01 volume  0.58908E-02 ppm1      7.769 ppm2      3.389 CV     1
 ASSI {  401}
   (( segid "alk1" and resid 80   and name HN  ))
   (( segid "alk1" and resid 80   and name HB1 ))
      2.400     0.700     0.700 peak   401 spectrum    1 weight  0.11000E+01 volume  0.54463E-02 ppm1      7.769 ppm2      3.211 CV     1
 ASSI {  402}
   (( segid "alk1" and resid 80   and name HN  ))
   (( segid "alk1" and resid 77   and name HB1 ))
      4.100     2.100     1.900 peak   402 spectrum    1 weight  0.11000E+01 volume  0.43909E-03 ppm1      7.770 ppm2      1.593 CV     1
 ASSI {  403}
   (( segid "alk1" and resid 45   and name HN  ))
   (( segid "alk1" and resid 45   and name HB2 ))
      3.000     1.100     1.100 peak   403 spectrum    1 weight  0.11000E+01 volume  0.13716E-02 ppm1      8.514 ppm2      3.217 CV     1
 ASSI {  404}
   (( segid "alk1" and resid 45   and name HN  ))
   (( segid "alk1" and resid 45   and name HB1 ))
      3.300     1.300     1.300 peak   404 spectrum    1 weight  0.11000E+01 volume  0.24401E-02 ppm1      8.514 ppm2      3.140 CV     1
 ASSI {  410}
   (( segid "alk1" and resid 66   and name HN  ))
   (( segid "alk1" and resid 65   and name HB  ))
      2.600     0.800     0.800 peak   410 spectrum    1 weight  0.11000E+01 volume  0.38720E-02 ppm1      8.341 ppm2      4.475 CV     1
 ASSI {  411}
   (( segid "alk1" and resid 66   and name HN  ))
   (( segid "alk1" and resid 66   and name HA  ))
      3.400     1.500     1.500 peak   411 spectrum    1 weight  0.11000E+01 volume  0.75848E-03 ppm1      8.340 ppm2      4.187 CV     1
 ASSI {  412}
   (( segid "alk1" and resid 66   and name HN  ))
   (( segid "alk1" and resid 66   and name HG1 ))
      3.400     1.500     1.500 peak   412 spectrum    1 weight  0.11000E+01 volume  0.13590E-02 ppm1      8.339 ppm2      1.951 CV     1
 OR {  412}
   (( segid "alk1" and resid 66   and name HN  ))
   (( segid "alk1" and resid 66   and name HG2 ))
 ASSI {  413}
   (( segid "alk1" and resid 66   and name HN  ))
   (( segid "alk1" and resid 66   and name HB2 ))
      2.800     1.000     1.000 peak   413 spectrum    1 weight  0.11000E+01 volume  0.29950E-02 ppm1      8.341 ppm2      1.799 CV     1
 OR {  413}
   (( segid "alk1" and resid 66   and name HN  ))
   (( segid "alk1" and resid 66   and name HB1 ))
 ASSI {  414}
   (( segid "alk1" and resid 66   and name HN  ))
   (  segid "alk1" and resid 65   and name HG2%)
      4.700     2.700     1.300 peak   414 spectrum    1 weight  0.11000E+01 volume  0.17506E-03 ppm1      8.340 ppm2      1.222 CV     1
 ASSI {  416}
   (( segid "alk1" and resid 30   and name HN  ))
   (( segid "alk1" and resid 29   and name HA  ))
      2.400     0.700     0.700 peak   416 spectrum    1 weight  0.11000E+01 volume  0.50014E-02 ppm1      8.482 ppm2      4.867 CV     1
 ASSI {  417}
   (( segid "alk1" and resid 30   and name HN  ))
   (( segid "alk1" and resid 29   and name HB2 ))
      2.700     0.900     0.900 peak   417 spectrum    1 weight  0.11000E+01 volume  0.32578E-02 ppm1      8.482 ppm2      3.479 CV     1
 ASSI {  418}
   (( segid "alk1" and resid 30   and name HN  ))
   (( segid "alk1" and resid 29   and name HB1 ))
      3.700     1.700     1.700 peak   418 spectrum    1 weight  0.11000E+01 volume  0.24604E-02 ppm1      8.482 ppm2      2.800 CV     1
 ASSI {  419}
   (( segid "alk1" and resid 30   and name HN  ))
   (( segid "alk1" and resid 30   and name HG1 ))
      2.400     0.700     0.700 peak   419 spectrum    1 weight  0.11000E+01 volume  0.55998E-02 ppm1      8.482 ppm2      1.607 CV     1
 OR {  419}
   (( segid "alk1" and resid 30   and name HN  ))
   (( segid "alk1" and resid 30   and name HB2 ))
 OR {  419}
   (( segid "alk1" and resid 30   and name HN  ))
   (( segid "alk1" and resid 30   and name HG2 ))
 OR {  419}
   (( segid "alk1" and resid 30   and name HN  ))
   (( segid "alk1" and resid 30   and name HB1 ))
 ASSI {  421}
   (( segid "alk1" and resid 76   and name HN  ))
   (( segid "alk1" and resid 76   and name HA  ))
      3.100     1.200     1.200 peak   421 spectrum    1 weight  0.11000E+01 volume  0.10879E-02 ppm1      8.304 ppm2      4.544 CV     1
 ASSI {  423}
   (( segid "alk1" and resid 76   and name HN  ))
   (( segid "alk1" and resid 75   and name HB1 ))
      3.300     1.300     1.300 peak   423 spectrum    1 weight  0.11000E+01 volume  0.11272E-02 ppm1      8.303 ppm2      3.858 CV     1
 ASSI {  424}
   (( segid "alk1" and resid 76   and name HN  ))
   (( segid "alk1" and resid 76   and name HB2 ))
      2.300     0.700     0.700 peak   424 spectrum    1 weight  0.11000E+01 volume  0.78633E-02 ppm1      8.304 ppm2      3.073 CV     1
 OR {  424}
   (( segid "alk1" and resid 76   and name HN  ))
   (( segid "alk1" and resid 76   and name HB1 ))
 ASSI {  425}
   (( segid "alk1" and resid 76   and name HN  ))
   (  segid "alk1" and resid 15   and name HG1%)
      3.200     1.300     1.300 peak   425 spectrum    1 weight  0.11000E+01 volume  0.12460E-02 ppm1      8.303 ppm2      0.789 CV     1
 ASSI {  426}
   (( segid "alk1" and resid 61   and name HN  ))
   (( segid "alk1" and resid 61   and name HA  ))
      4.300     2.300     1.700 peak   426 spectrum    1 weight  0.11000E+01 volume  0.18553E-03 ppm1      7.629 ppm2      4.492 CV     1
 ASSI {  427}
   (( segid "alk1" and resid 61   and name HN  ))
   (( segid "alk1" and resid 60   and name HA  ))
      3.100     1.200     1.200 peak   427 spectrum    1 weight  0.11000E+01 volume  0.16123E-02 ppm1      7.629 ppm2      4.267 CV     1
 ASSI {  428}
   (( segid "alk1" and resid 61   and name HN  ))
   (( segid "alk1" and resid 61   and name HB2 ))
      6.000     4.800     0.000 peak   428 spectrum    1 weight  0.11000E+01 volume  0.25280E-04 ppm1      7.627 ppm2      1.907 CV     1
 ASSI {  429}
   (( segid "alk1" and resid 61   and name HN  ))
   (( segid "alk1" and resid 61   and name HB1 ))
      3.700     3.700     2.300 peak   429 spectrum    1 weight  0.11000E+01 volume  0.63373E-03 ppm1      7.630 ppm2      1.751 CV     1
 ASSI {  430}
   (( segid "alk1" and resid 61   and name HN  ))
   (( segid "alk1" and resid 61   and name HG1 ))
      3.500     1.600     1.600 peak   430 spectrum    1 weight  0.11000E+01 volume  0.70839E-03 ppm1      7.629 ppm2      1.590 CV     1
 OR {  430}
   (( segid "alk1" and resid 61   and name HN  ))
   (( segid "alk1" and resid 61   and name HG2 ))
 ASSI {  436}
   (( segid "alk1" and resid 52   and name HN  ))
   (( segid "alk1" and resid 51   and name HA2 ))
      2.900     1.000     1.000 peak   436 spectrum    1 weight  0.11000E+01 volume  0.51429E-02 ppm1      8.322 ppm2      3.865 CV     1
 ASSI {  439}
   (( segid "alk1" and resid 52   and name HN  ))
   (( segid "alk1" and resid 51   and name HA1 ))
      2.500     0.800     0.800 peak   439 spectrum    1 weight  0.11000E+01 volume  0.29567E-02 ppm1      8.321 ppm2      4.473 CV     1
 ASSI {  441}
   (( segid "alk1" and resid 58   and name HN  ))
   (( segid "alk1" and resid 58   and name HB1 ))
      2.900     1.100     1.100 peak   441 spectrum    1 weight  0.11000E+01 volume  0.17529E-02 ppm1      9.761 ppm2      2.092 CV     1
 OR {  441}
   (( segid "alk1" and resid 58   and name HN  ))
   (( segid "alk1" and resid 58   and name HG1 ))
 ASSI {  442}
   (( segid "alk1" and resid 58   and name HN  ))
   (( segid "alk1" and resid 58   and name HB2 ))
      3.900     1.900     1.900 peak   442 spectrum    1 weight  0.11000E+01 volume  0.82820E-03 ppm1      9.759 ppm2      1.972 CV     1
 ASSI {  443}
   (( segid "alk1" and resid 58   and name HN  ))
   (( segid "alk1" and resid 57   and name HB1 ))
      4.500     2.500     1.500 peak   443 spectrum    1 weight  0.11000E+01 volume  0.10222E-03 ppm1      9.759 ppm2      1.506 CV     1
 ASSI {  446}
   (( segid "alk1" and resid 79   and name HN  ))
   (( segid "alk1" and resid 77   and name HA  ))
      3.400     1.500     1.500 peak   446 spectrum    1 weight  0.11000E+01 volume  0.79525E-03 ppm1      8.434 ppm2      3.782 CV     1
 ASSI {  447}
   (( segid "alk1" and resid 79   and name HN  ))
   (( segid "alk1" and resid 34   and name HB1 ))
      2.500     0.800     0.800 peak   447 spectrum    1 weight  0.11000E+01 volume  0.23740E-02 ppm1      8.433 ppm2      3.200 CV     1
 ASSI {  448}
   (( segid "alk1" and resid 79   and name HN  ))
   (( segid "alk1" and resid 79   and name HB2 ))
      3.100     1.200     1.200 peak   448 spectrum    1 weight  0.11000E+01 volume  0.10541E-02 ppm1      8.434 ppm2      2.422 CV     1
 ASSI {  449}
   (( segid "alk1" and resid 44   and name HN  ))
   (( segid "alk1" and resid 44   and name HA  ))
      3.100     1.200     1.200 peak   449 spectrum    1 weight  0.11000E+01 volume  0.15922E-02 ppm1      7.908 ppm2      4.580 CV     1
 ASSI {  450}
   (( segid "alk1" and resid 44   and name HN  ))
   (( segid "alk1" and resid 43   and name HA2 ))
      2.900     1.100     1.100 peak   450 spectrum    1 weight  0.11000E+01 volume  0.25461E-02 ppm1      7.907 ppm2      4.085 CV     1
 ASSI {  452}
   (( segid "alk1" and resid 44   and name HN  ))
   (( segid "alk1" and resid 44   and name HD1 ))
      4.200     2.200     1.800 peak   452 spectrum    1 weight  0.11000E+01 volume  0.30441E-03 ppm1      7.905 ppm2      3.122 CV     1
 OR {  452}
   (( segid "alk1" and resid 44   and name HN  ))
   (( segid "alk1" and resid 44   and name HD2 ))
 ASSI {  454}
   (( segid "alk1" and resid 44   and name HN  ))
   (( segid "alk1" and resid 41   and name HB2 ))
      5.300     3.500     0.700 peak   454 spectrum    1 weight  0.11000E+01 volume  0.99177E-04 ppm1      7.906 ppm2      1.777 CV     1
 ASSI {  455}
   (( segid "alk1" and resid 44   and name HN  ))
   (( segid "alk1" and resid 44   and name HB2 ))
      2.700     0.900     0.900 peak   455 spectrum    1 weight  0.11000E+01 volume  0.37121E-02 ppm1      7.907 ppm2      1.686 CV     1
 ASSI {  456}
   (( segid "alk1" and resid 44   and name HN  ))
   (( segid "alk1" and resid 44   and name HG2 ))
      2.900     1.100     1.100 peak   456 spectrum    1 weight  0.11000E+01 volume  0.30491E-02 ppm1      7.906 ppm2      1.523 CV     1
 OR {  456}
   (( segid "alk1" and resid 44   and name HN  ))
   (( segid "alk1" and resid 44   and name HG1 ))
 ASSI {  457}
   (( segid "alk1" and resid 67   and name HN  ))
   (( segid "alk1" and resid 65   and name HB  ))
      4.700     2.800     1.300 peak   457 spectrum    1 weight  0.11000E+01 volume  0.13754E-03 ppm1      8.136 ppm2      4.484 CV     1
 ASSI {  458}
   (( segid "alk1" and resid 67   and name HN  ))
   (( segid "alk1" and resid 67   and name HB1 ))
      3.100     1.200     1.200 peak   458 spectrum    1 weight  0.11000E+01 volume  0.19209E-02 ppm1      8.133 ppm2      3.279 CV     1
 ASSI {  459}
   (( segid "alk1" and resid 67   and name HN  ))
   (( segid "alk1" and resid 66   and name HG1 ))
      3.700     1.700     1.700 peak   459 spectrum    1 weight  0.11000E+01 volume  0.87494E-03 ppm1      8.133 ppm2      1.954 CV     1
 OR {  459}
   (( segid "alk1" and resid 67   and name HN  ))
   (( segid "alk1" and resid 66   and name HG2 ))
 ASSI {  460}
   (( segid "alk1" and resid 67   and name HN  ))
   (  segid "alk1" and resid 68   and name HG1%)
      4.100     2.100     1.900 peak   460 spectrum    1 weight  0.11000E+01 volume  0.65301E-03 ppm1      8.133 ppm2      0.967 CV     1
 ASSI {  461}
   (( segid "alk1" and resid 67   and name HN  ))
   (( segid "alk1" and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   461 spectrum    1 weight  0.11000E+01 volume  0.29608E-02 ppm1      8.132 ppm2      4.607 CV     1
 ASSI {  462}
   (( segid "alk1" and resid 67   and name HN  ))
   (( segid "alk1" and resid 66   and name HA  ))
      2.600     0.900     0.900 peak   462 spectrum    1 weight  0.11000E+01 volume  0.43976E-02 ppm1      8.132 ppm2      4.175 CV     1
 ASSI {  463}
   (( segid "alk1" and resid 67   and name HN  ))
   (( segid "alk1" and resid 67   and name HB2 ))
      2.900     1.100     1.100 peak   463 spectrum    1 weight  0.11000E+01 volume  0.31990E-02 ppm1      8.132 ppm2      2.983 CV     1
 ASSI {  464}
   (( segid "alk1" and resid 67   and name HN  ))
   (( segid "alk1" and resid 66   and name HB2 ))
      2.800     1.000     1.000 peak   464 spectrum    1 weight  0.11000E+01 volume  0.26950E-02 ppm1      8.133 ppm2      1.800 CV     1
 OR {  464}
   (( segid "alk1" and resid 67   and name HN  ))
   (( segid "alk1" and resid 66   and name HB1 ))
 ASSI {  465}
   (( segid "alk1" and resid 85   and name HN  ))
   (( segid "alk1" and resid 84   and name HA  ))
      2.800     1.000     1.000 peak   465 spectrum    1 weight  0.11000E+01 volume  0.24202E-02 ppm1      7.824 ppm2      4.366 CV     1
 ASSI {  466}
   (( segid "alk1" and resid 85   and name HN  ))
   (( segid "alk1" and resid 85   and name HA  ))
      3.100     1.200     1.200 peak   466 spectrum    1 weight  0.11000E+01 volume  0.12983E-02 ppm1      7.825 ppm2      3.946 CV     1
 ASSI {  468}
   (( segid "alk1" and resid 85   and name HN  ))
   (( segid "alk1" and resid 84   and name HB1 ))
      3.200     1.300     1.300 peak   468 spectrum    1 weight  0.11000E+01 volume  0.18959E-02 ppm1      7.825 ppm2      1.539 CV     1
 OR {  468}
   (( segid "alk1" and resid 85   and name HN  ))
   (( segid "alk1" and resid 84   and name HB2 ))
 ASSI {  469}
   (( segid "alk1" and resid 85   and name HN  ))
   (( segid "alk1" and resid 38   and name HB2 ))
      4.000     4.000     2.000 peak   469 spectrum    1 weight  0.11000E+01 volume  0.37094E-03 ppm1      7.826 ppm2      1.419 CV     1
 ASSI {  470}
   (( segid "alk1" and resid 85   and name HN  ))
   (  segid "alk1" and resid 85   and name HG1%)
      2.700     0.900     0.900 peak   470 spectrum    1 weight  0.11000E+01 volume  0.37681E-02 ppm1      7.824 ppm2      0.781 CV     1
 OR {  470}
   (( segid "alk1" and resid 85   and name HN  ))
   (  segid "alk1" and resid 85   and name HG2%)
 ASSI {  473}
   (( segid "alk1" and resid 78   and name HN  ))
   (  segid "alk1" and resid 77   and name HD2%)
      4.500     2.600     1.500 peak   473 spectrum    1 weight  0.11000E+01 volume  0.58740E-03 ppm1      8.487 ppm2      0.545 CV     1
 ASSI {  474}
   (( segid "alk1" and resid 78   and name HN  ))
   (( segid "alk1" and resid 76   and name HA  ))
      3.500     1.600     1.600 peak   474 spectrum    1 weight  0.11000E+01 volume  0.84413E-03 ppm1      8.484 ppm2      4.548 CV     1
 ASSI {  476}
   (( segid "alk1" and resid 78   and name HN  ))
   (( segid "alk1" and resid 78   and name HB1 ))
      2.400     0.700     0.700 peak   476 spectrum    1 weight  0.11000E+01 volume  0.43564E-02 ppm1      8.486 ppm2      3.821 CV     1
 ASSI {  479}
   (( segid "alk1" and resid 34   and name HN  ))
   (  segid "alk1" and resid 15   and name HG1%)
      3.800     1.800     1.800 peak   479 spectrum    1 weight  0.11000E+01 volume  0.70799E-03 ppm1      9.306 ppm2      0.791 CV     1
 OR {  479}
   (( segid "alk1" and resid 34   and name HN  ))
   (  segid "alk1" and resid 15   and name HG2%)
 ASSI {  482}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 33   and name HA  ))
      2.800     1.000     1.000 peak   482 spectrum    1 weight  0.11000E+01 volume  0.20088E-02 ppm1      9.306 ppm2      4.639 CV     1
 ASSI {  484}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 33   and name HB2 ))
      2.200     0.600     0.600 peak   484 spectrum    1 weight  0.11000E+01 volume  0.34372E-02 ppm1      9.305 ppm2      3.312 CV     1
 ASSI {  485}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 34   and name HB2 ))
      2.600     0.800     0.800 peak   485 spectrum    1 weight  0.11000E+01 volume  0.25037E-02 ppm1      9.305 ppm2      3.178 CV     1
 OR {  485}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 34   and name HB1 ))
 ASSI {  488}
   (( segid "alk1" and resid 93   and name HN  ))
   (( segid "alk1" and resid 92   and name HA  ))
      2.300     0.700     0.700 peak   488 spectrum    1 weight  0.11000E+01 volume  0.74228E-02 ppm1      8.359 ppm2      4.426 CV     1
 ASSI {  490}
   (( segid "alk1" and resid 93   and name HN  ))
   (( segid "alk1" and resid 92   and name HB1 ))
      6.000     5.700     0.000 peak   490 spectrum    1 weight  0.11000E+01 volume  0.26129E-04 ppm1      8.359 ppm2      1.908 CV     1
 ASSI {  491}
   (( segid "alk1" and resid 93   and name HN  ))
   (( segid "alk1" and resid 94   and name HA  ))
      3.500     3.500     2.500 peak   491 spectrum    1 weight  0.11000E+01 volume  0.16393E-02 ppm1      8.360 ppm2      4.683 CV     1
 ASSI {  492}
   (( segid "alk1" and resid 93   and name HN  ))
   (( segid "alk1" and resid 81   and name HA  ))
      4.800     2.800     1.200 peak   492 spectrum    1 weight  0.10000E+01 volume  0.15813E-03 ppm1      8.337 ppm2      4.557 CV     1
 ASSI {  496}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 72   and name HA  ))
      2.300     0.600     0.600 peak   496 spectrum    1 weight  0.11000E+01 volume  0.58787E-02 ppm1      8.844 ppm2      5.800 CV     1
 ASSI {  497}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 73   and name HA  ))
      3.200     1.300     1.300 peak   497 spectrum    1 weight  0.11000E+01 volume  0.10844E-02 ppm1      8.844 ppm2      4.784 CV     1
 ASSI {  500}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 72   and name HB2 ))
      3.500     1.500     1.500 peak   500 spectrum    1 weight  0.11000E+01 volume  0.10466E-02 ppm1      8.845 ppm2      2.708 CV     1
 ASSI {  501}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 33   and name HB2 ))
      3.600     1.600     1.600 peak   501 spectrum    1 weight  0.11000E+01 volume  0.45401E-03 ppm1      8.843 ppm2      3.304 CV     1
 ASSI {  502}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 72   and name HB1 ))
      3.200     1.200     1.200 peak   502 spectrum    1 weight  0.11000E+01 volume  0.18022E-02 ppm1      8.843 ppm2      2.901 CV     1
 ASSI {  504}
   (( segid "alk1" and resid 10   and name HN  ))
   (( segid "alk1" and resid 7    and name HB  ))
      5.300     3.600     0.700 peak   504 spectrum    1 weight  0.11000E+01 volume  0.54278E-04 ppm1      8.284 ppm2      2.014 CV     1
 ASSI {  505}
   (( segid "alk1" and resid 10   and name HN  ))
   (( segid "alk1" and resid 55   and name HA  ))
      4.600     2.700     1.400 peak   505 spectrum    1 weight  0.11000E+01 volume  0.26602E-03 ppm1      8.283 ppm2      4.679 CV     1
 ASSI {  506}
   (( segid "alk1" and resid 10   and name HN  ))
   (( segid "alk1" and resid 8    and name HA  ))
      3.800     3.800     2.200 peak   506 spectrum    1 weight  0.11000E+01 volume  0.47463E-03 ppm1      8.282 ppm2      4.551 CV     1
 ASSI {  508}
   (( segid "alk1" and resid 10   and name HN  ))
   (( segid "alk1" and resid 10   and name HB1 ))
      3.000     3.000     3.000 peak   508 spectrum    1 weight  0.11000E+01 volume  0.26673E-02 ppm1      8.283 ppm2      3.840 CV     1
 OR {  508}
   (( segid "alk1" and resid 10   and name HN  ))
   (( segid "alk1" and resid 10   and name HB2 ))
 ASSI {  509}
   (( segid "alk1" and resid 10   and name HN  ))
   (( segid "alk1" and resid 9    and name HB1 ))
      4.400     2.400     1.600 peak   509 spectrum    1 weight  0.11000E+01 volume  0.49786E-03 ppm1      8.283 ppm2      2.285 CV     1
 ASSI {  510}
   (( segid "alk1" and resid 10   and name HN  ))
   (( segid "alk1" and resid 9    and name HB2 ))
      3.600     1.700     1.700 peak   510 spectrum    1 weight  0.11000E+01 volume  0.83595E-03 ppm1      8.282 ppm2      1.918 CV     1
 ASSI {  512}
   (( segid "alk1" and resid 54   and name HN  ))
   (( segid "alk1" and resid 53   and name HA2 ))
      3.200     1.300     1.300 peak   512 spectrum    1 weight  0.11000E+01 volume  0.11653E-02 ppm1      8.108 ppm2      2.241 CV     1
 ASSI {  514}
   (( segid "alk1" and resid 29   and name HN  ))
   (( segid "alk1" and resid 28   and name HA  ))
      2.400     0.700     0.700 peak   514 spectrum    1 weight  0.11000E+01 volume  0.42146E-02 ppm1      8.872 ppm2      5.361 CV     1
 ASSI {  515}
   (( segid "alk1" and resid 29   and name HN  ))
   (( segid "alk1" and resid 29   and name HA  ))
      3.000     1.100     1.100 peak   515 spectrum    1 weight  0.11000E+01 volume  0.14374E-02 ppm1      8.873 ppm2      4.872 CV     1
 ASSI {  516}
   (( segid "alk1" and resid 29   and name HN  ))
   (( segid "alk1" and resid 28   and name HB  ))
      2.500     0.800     0.800 peak   516 spectrum    1 weight  0.11000E+01 volume  0.37667E-02 ppm1      8.872 ppm2      4.223 CV     1
 ASSI {  517}
   (( segid "alk1" and resid 29   and name HN  ))
   (( segid "alk1" and resid 29   and name HB1 ))
      6.000     5.400     0.000 peak   517 spectrum    1 weight  0.11000E+01 volume  0.12718E-04 ppm1      8.874 ppm2      2.818 CV     1
 ASSI {  519}
   (( segid "alk1" and resid 29   and name HN  ))
   (  segid "alk1" and resid 16   and name HG2%)
      3.300     1.300     1.300 peak   519 spectrum    1 weight  0.11000E+01 volume  0.11299E-02 ppm1      8.874 ppm2      1.162 CV     1
 ASSI {  520}
   (( segid "alk1" and resid 29   and name HN  ))
   (  segid "alk1" and resid 28   and name HG2%)
      3.800     1.800     1.800 peak   520 spectrum    1 weight  0.11000E+01 volume  0.15423E-02 ppm1      8.872 ppm2      0.988 CV     1
 ASSI {  521}
   (( segid "alk1" and resid 81   and name HN  ))
   (( segid "alk1" and resid 81   and name HA  ))
      4.000     2.000     2.000 peak   521 spectrum    1 weight  0.11000E+01 volume  0.33386E-03 ppm1      8.454 ppm2      4.563 CV     1
 ASSI {  526}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 60   and name HB1 ))
      2.500     0.800     0.800 peak   526 spectrum    1 weight  0.11000E+01 volume  0.53933E-02 ppm1      7.635 ppm2      2.806 CV     1
 OR {  526}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 60   and name HB2 ))
 ASSI {  527}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 59   and name HB2 ))
      3.500     1.500     1.500 peak   527 spectrum    1 weight  0.11000E+01 volume  0.82371E-03 ppm1      7.636 ppm2      1.405 CV     1
 ASSI {  529}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 36   and name HA  ))
      4.300     2.300     1.700 peak   529 spectrum    1 weight  0.11000E+01 volume  0.33297E-03 ppm1      8.210 ppm2      4.765 CV     1
 ASSI {  530}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 51   and name HA1 ))
      3.200     1.300     1.300 peak   530 spectrum    1 weight  0.11000E+01 volume  0.91262E-03 ppm1      8.210 ppm2      4.477 CV     1
 ASSI {  531}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 51   and name HA2 ))
      2.900     1.000     1.000 peak   531 spectrum    1 weight  0.11000E+01 volume  0.14904E-02 ppm1      8.210 ppm2      3.876 CV     1
 ASSI {  532}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 50   and name HB1 ))
      3.000     1.100     1.100 peak   532 spectrum    1 weight  0.11000E+01 volume  0.14933E-02 ppm1      8.209 ppm2      1.798 CV     1
 OR {  532}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 50   and name HB2 ))
 ASSI {  533}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 50   and name HA  ))
      2.300     0.600     0.600 peak   533 spectrum    1 weight  0.11000E+01 volume  0.51741E-02 ppm1      8.208 ppm2      5.224 CV     1
 ASSI {  535}
   (( segid "alk1" and resid 23   and name HN  ))
   (( segid "alk1" and resid 23   and name HA  ))
      4.200     2.200     1.800 peak   535 spectrum    1 weight  0.11000E+01 volume  0.14621E-03 ppm1      7.897 ppm2      4.682 CV     1
 ASSI {  536}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 73   and name HA  ))
      4.700     2.800     1.300 peak   536 spectrum    1 weight  0.11000E+01 volume  0.54426E-03 ppm1      7.644 ppm2      4.790 CV     1
 ASSI {  537}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 74   and name HA  ))
      2.800     1.000     1.000 peak   537 spectrum    1 weight  0.11000E+01 volume  0.27148E-02 ppm1      7.642 ppm2      5.165 CV     1
 ASSI {  538}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 75   and name HA  ))
      2.700     0.900     0.900 peak   538 spectrum    1 weight  0.11000E+01 volume  0.25004E-02 ppm1      7.642 ppm2      4.898 CV     1
 ASSI {  540}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 75   and name HB2 ))
      3.000     1.200     1.200 peak   540 spectrum    1 weight  0.11000E+01 volume  0.13256E-02 ppm1      7.642 ppm2      4.056 CV     1
 ASSI {  543}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 78   and name HB2 ))
      2.900     1.100     1.100 peak   543 spectrum    1 weight  0.11000E+01 volume  0.13626E-02 ppm1      7.642 ppm2      3.417 CV     1
 ASSI {  545}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 74   and name HB1 ))
      4.400     2.400     1.600 peak   545 spectrum    1 weight  0.11000E+01 volume  0.34989E-03 ppm1      7.643 ppm2      2.923 CV     1
 ASSI {  546}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 74   and name HB2 ))
      4.300     2.300     1.700 peak   546 spectrum    1 weight  0.11000E+01 volume  0.38720E-03 ppm1      7.643 ppm2      2.676 CV     1
 ASSI {  549}
   (( segid "alk1" and resid 89   and name HN  ))
   (( segid "alk1" and resid 88   and name HA  ))
      2.300     0.700     0.700 peak   549 spectrum    1 weight  0.11000E+01 volume  0.73652E-02 ppm1      7.982 ppm2      4.304 CV     1
 ASSI {  550}
   (( segid "alk1" and resid 89   and name HN  ))
   (( segid "alk1" and resid 89   and name HB  ))
      3.200     1.200     1.200 peak   550 spectrum    1 weight  0.11000E+01 volume  0.15959E-02 ppm1      7.984 ppm2      4.158 CV     1
 ASSI {  551}
   (( segid "alk1" and resid 89   and name HN  ))
   (  segid "alk1" and resid 88   and name HB% )
      3.300     1.400     1.400 peak   551 spectrum    1 weight  0.11000E+01 volume  0.16030E-02 ppm1      7.983 ppm2      1.338 CV     1
 ASSI {  552}
   (( segid "alk1" and resid 89   and name HN  ))
   (  segid "alk1" and resid 89   and name HG2%)
      3.400     1.500     1.500 peak   552 spectrum    1 weight  0.11000E+01 volume  0.10321E-02 ppm1      7.983 ppm2      1.154 CV     1
 ASSI {  553}
   (( segid "alk1" and resid 98   and name HN  ))
   (( segid "alk1" and resid 98   and name HB  ))
      4.500     2.600     1.500 peak   553 spectrum    1 weight  0.11000E+01 volume  0.18452E-03 ppm1      8.046 ppm2      4.254 CV     1
 ASSI {  554}
   (( segid "alk1" and resid 98   and name HN  ))
   (( segid "alk1" and resid 97   and name HA1 ))
      3.100     1.200     1.200 peak   554 spectrum    1 weight  0.11000E+01 volume  0.17877E-02 ppm1      8.046 ppm2      4.056 CV     1
 ASSI {  555}
   (( segid "alk1" and resid 98   and name HN  ))
   (( segid "alk1" and resid 97   and name HA2 ))
      3.100     1.200     1.200 peak   555 spectrum    1 weight  0.11000E+01 volume  0.13284E-02 ppm1      8.045 ppm2      3.971 CV     1
 ASSI {  556}
   (( segid "alk1" and resid 98   and name HN  ))
   (( segid "alk1" and resid 98   and name HA  ))
      3.500     1.600     1.600 peak   556 spectrum    1 weight  0.11000E+01 volume  0.67249E-03 ppm1      8.036 ppm2      4.379 CV     1
 ASSI {  557}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 52   and name HA  ))
      4.000     2.000     2.000 peak   557 spectrum    1 weight  0.11000E+01 volume  0.36957E-03 ppm1      7.832 ppm2      5.190 CV     1
 ASSI {  558}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 33   and name HA  ))
      2.900     1.100     1.100 peak   558 spectrum    1 weight  0.11000E+01 volume  0.10940E-02 ppm1      7.832 ppm2      4.641 CV     1
 ASSI {  561}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 33   and name HB1 ))
      4.200     2.200     1.800 peak   561 spectrum    1 weight  0.11000E+01 volume  0.19845E-03 ppm1      7.832 ppm2      3.530 CV     1
 ASSI {  563}
   (( segid "alk1" and resid 33   and name HN  ))
   (  segid "alk1" and resid 32   and name HB% )
      2.600     0.900     0.900 peak   563 spectrum    1 weight  0.11000E+01 volume  0.40208E-02 ppm1      7.833 ppm2      1.497 CV     1
 ASSI {  564}
   (( segid "alk1" and resid 33   and name HN  ))
   (  segid "alk1" and resid 15   and name HG2%)
      4.100     2.100     1.900 peak   564 spectrum    1 weight  0.11000E+01 volume  0.65536E-03 ppm1      7.833 ppm2      0.789 CV     1
 OR {  564}
   (( segid "alk1" and resid 33   and name HN  ))
   (  segid "alk1" and resid 15   and name HG1%)
 ASSI {  565}
   (( segid "alk1" and resid 47   and name HE22))
   (( segid "alk1" and resid 47   and name HG2 ))
      4.100     2.100     1.900 peak   565 spectrum    1 weight  0.11000E+01 volume  0.10386E-02 ppm1      7.564 ppm2      2.338 CV     1
 OR {  565}
   (( segid "alk1" and resid 47   and name HE22))
   (( segid "alk1" and resid 47   and name HG1 ))
 ASSI {  566}
   (( segid "alk1" and resid 53   and name HN  ))
   (( segid "alk1" and resid 52   and name HB2 ))
      3.300     1.400     1.400 peak   566 spectrum    1 weight  0.11000E+01 volume  0.11345E-02 ppm1      8.682 ppm2      2.447 CV     1
 ASSI {  568}
   (( segid "alk1" and resid 53   and name HN  ))
   (( segid "alk1" and resid 52   and name HA  ))
      2.200     0.600     0.600 peak   568 spectrum    1 weight  0.11000E+01 volume  0.52639E-02 ppm1      8.682 ppm2      5.199 CV     1
 ASSI {  569}
   (( segid "alk1" and resid 53   and name HN  ))
   (( segid "alk1" and resid 53   and name HA2 ))
      3.100     1.200     1.200 peak   569 spectrum    1 weight  0.11000E+01 volume  0.20557E-02 ppm1      8.682 ppm2      2.242 CV     1
 ASSI {  570}
   (( segid "alk1" and resid 53   and name HN  ))
   (  segid "alk1" and resid 35   and name HG2%)
      3.300     1.400     1.400 peak   570 spectrum    1 weight  0.11000E+01 volume  0.11525E-02 ppm1      8.681 ppm2      1.237 CV     1
 ASSI {  575}
   (( segid "alk1" and resid 43   and name HN  ))
   (( segid "alk1" and resid 43   and name HA1 ))
      2.800     1.000     1.000 peak   575 spectrum    1 weight  0.11000E+01 volume  0.47678E-02 ppm1      8.671 ppm2      3.743 CV     1
 ASSI {  576}
   (( segid "alk1" and resid 43   and name HN  ))
   (( segid "alk1" and resid 42   and name HG2 ))
      4.000     2.000     2.000 peak   576 spectrum    1 weight  0.11000E+01 volume  0.72552E-03 ppm1      8.671 ppm2      2.251 CV     1
 OR {  576}
   (( segid "alk1" and resid 43   and name HN  ))
   (( segid "alk1" and resid 42   and name HG1 ))
 ASSI {  577}
   (( segid "alk1" and resid 43   and name HN  ))
   (( segid "alk1" and resid 42   and name HB1 ))
      3.600     1.600     1.600 peak   577 spectrum    1 weight  0.11000E+01 volume  0.19221E-02 ppm1      8.671 ppm2      1.977 CV     1
 OR {  577}
   (( segid "alk1" and resid 43   and name HN  ))
   (( segid "alk1" and resid 42   and name HB2 ))
 ASSI {  578}
   (( segid "alk1" and resid 31   and name HN  ))
   (( segid "alk1" and resid 30   and name HA  ))
      2.100     0.600     0.600 peak   578 spectrum    1 weight  0.11000E+01 volume  0.71858E-02 ppm1      8.867 ppm2      5.582 CV     1
 ASSI {  579}
   (( segid "alk1" and resid 31   and name HN  ))
   (( segid "alk1" and resid 16   and name HA  ))
      4.300     2.300     1.700 peak   579 spectrum    1 weight  0.11000E+01 volume  0.37245E-03 ppm1      8.867 ppm2      4.886 CV     1
 ASSI {  580}
   (( segid "alk1" and resid 31   and name HN  ))
   (( segid "alk1" and resid 14   and name HA  ))
      4.200     2.200     1.800 peak   580 spectrum    1 weight  0.11000E+01 volume  0.61952E-03 ppm1      8.868 ppm2      4.511 CV     1
 ASSI {  581}
   (( segid "alk1" and resid 31   and name HN  ))
   (( segid "alk1" and resid 31   and name HA1 ))
      2.600     0.900     0.900 peak   581 spectrum    1 weight  0.11000E+01 volume  0.19409E-02 ppm1      8.866 ppm2      4.424 CV     1
 ASSI {  582}
   (( segid "alk1" and resid 31   and name HN  ))
   (( segid "alk1" and resid 31   and name HA2 ))
      3.000     1.100     1.100 peak   582 spectrum    1 weight  0.11000E+01 volume  0.15156E-02 ppm1      8.867 ppm2      3.337 CV     1
 ASSI {  584}
   (( segid "alk1" and resid 31   and name HN  ))
   (( segid "alk1" and resid 14   and name HB2 ))
      2.900     2.900     3.100 peak   584 spectrum    1 weight  0.11000E+01 volume  0.59052E-03 ppm1      8.866 ppm2      1.225 CV     1
 ASSI {  585}
   (( segid "alk1" and resid 31   and name HN  ))
   (  segid "alk1" and resid 14   and name HD2%)
      3.700     1.700     1.700 peak   585 spectrum    1 weight  0.11000E+01 volume  0.68120E-03 ppm1      8.866 ppm2      0.650 CV     1
 ASSI {  589}
   (( segid "alk1" and resid 65   and name HN  ))
   (  segid "alk1" and resid 65   and name HG2%)
      3.600     1.700     1.700 peak   589 spectrum    1 weight  0.11000E+01 volume  0.84963E-03 ppm1      7.941 ppm2      1.219 CV     1
 ASSI {  590}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 34   and name HA  ))
      2.200     0.600     0.600 peak   590 spectrum    1 weight  0.11000E+01 volume  0.63427E-02 ppm1      8.934 ppm2      5.899 CV     1
 ASSI {  591}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   591 spectrum    1 weight  0.11000E+01 volume  0.14820E-02 ppm1      8.934 ppm2      5.200 CV     1
 ASSI {  592}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 34   and name HB1 ))
      3.100     1.200     1.200 peak   592 spectrum    1 weight  0.11000E+01 volume  0.22244E-02 ppm1      8.935 ppm2      3.184 CV     1
 ASSI {  593}
   (( segid "alk1" and resid 35   and name HN  ))
   (  segid "alk1" and resid 35   and name HG2%)
      3.000     1.200     1.200 peak   593 spectrum    1 weight  0.11000E+01 volume  0.14893E-02 ppm1      8.935 ppm2      1.237 CV     1
 ASSI {  595}
   (( segid "alk1" and resid 12   and name HN  ))
   (( segid "alk1" and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   595 spectrum    1 weight  0.11000E+01 volume  0.47235E-02 ppm1      8.247 ppm2      4.433 CV     1
 ASSI {  596}
   (( segid "alk1" and resid 12   and name HN  ))
   (( segid "alk1" and resid 12   and name HA2 ))
      2.800     1.000     1.000 peak   596 spectrum    1 weight  0.11000E+01 volume  0.27263E-02 ppm1      8.247 ppm2      4.059 CV     1
 ASSI {  597}
   (( segid "alk1" and resid 12   and name HN  ))
   (( segid "alk1" and resid 13   and name HD2 ))
      4.900     3.000     1.100 peak   597 spectrum    1 weight  0.11000E+01 volume  0.28037E-03 ppm1      8.251 ppm2      3.636 CV     1
 OR {  597}
   (( segid "alk1" and resid 12   and name HN  ))
   (( segid "alk1" and resid 13   and name HD1 ))
 ASSI {  599}
   (( segid "alk1" and resid 12   and name HN  ))
   (( segid "alk1" and resid 11   and name HG2 ))
      4.700     2.700     1.300 peak   599 spectrum    1 weight  0.11000E+01 volume  0.18137E-03 ppm1      8.247 ppm2      1.668 CV     1
 ASSI {  600}
   (( segid "alk1" and resid 12   and name HN  ))
   (( segid "alk1" and resid 12   and name HA1 ))
      3.000     1.100     1.100 peak   600 spectrum    1 weight  0.11000E+01 volume  0.20752E-02 ppm1      8.246 ppm2      4.193 CV     1
 ASSI {  601}
   (( segid "alk1" and resid 12   and name HN  ))
   (( segid "alk1" and resid 8    and name HB1 ))
      2.900     2.900     3.100 peak   601 spectrum    1 weight  0.11000E+01 volume  0.60393E-03 ppm1      8.246 ppm2      1.792 CV     1
 ASSI {  605}
   (( segid "alk1" and resid 97   and name HN  ))
   (( segid "alk1" and resid 96   and name HB1 ))
      5.700     4.100     0.300 peak   605 spectrum    1 weight  0.11000E+01 volume  0.81117E-04 ppm1      8.479 ppm2      1.937 CV     1
 ASSI {  607}
   (( segid "alk1" and resid 97   and name HN  ))
   (( segid "alk1" and resid 96   and name HA  ))
      2.500     0.800     0.800 peak   607 spectrum    1 weight  0.11000E+01 volume  0.51777E-02 ppm1      8.476 ppm2      4.428 CV     1
 ASSI {  608}
   (( segid "alk1" and resid 97   and name HN  ))
   (( segid "alk1" and resid 97   and name HA1 ))
      2.800     1.000     1.000 peak   608 spectrum    1 weight  0.11000E+01 volume  0.25398E-02 ppm1      8.476 ppm2      4.055 CV     1
 ASSI {  609}
   (( segid "alk1" and resid 97   and name HN  ))
   (( segid "alk1" and resid 97   and name HA2 ))
      2.900     1.100     1.100 peak   609 spectrum    1 weight  0.11000E+01 volume  0.24600E-02 ppm1      8.476 ppm2      3.968 CV     1
 ASSI {  610}
   (( segid "alk1" and resid 100  and name HN  ))
   (( segid "alk1" and resid 99   and name HA  ))
      3.800     1.800     1.800 peak   610 spectrum    1 weight  0.11000E+01 volume  0.48368E-03 ppm1      8.290 ppm2      4.594 CV     1
 ASSI {  611}
   (( segid "alk1" and resid 100  and name HN  ))
   (( segid "alk1" and resid 100  and name HA2 ))
      3.300     1.400     1.400 peak   611 spectrum    1 weight  0.11000E+01 volume  0.12560E-02 ppm1      8.291 ppm2      3.877 CV     1
 ASSI {  618}
   (( segid "alk1" and resid 26   and name HN  ))
   (( segid "alk1" and resid 25   and name HA  ))
      2.600     0.800     0.800 peak   618 spectrum    1 weight  0.11000E+01 volume  0.42344E-02 ppm1      7.768 ppm2      4.403 CV     1
 ASSI {  619}
   (( segid "alk1" and resid 26   and name HN  ))
   (( segid "alk1" and resid 26   and name HA2 ))
      2.200     0.600     0.600 peak   619 spectrum    1 weight  0.11000E+01 volume  0.69652E-02 ppm1      7.768 ppm2      4.190 CV     1
 ASSI {  620}
   (( segid "alk1" and resid 26   and name HN  ))
   (( segid "alk1" and resid 27   and name HD2 ))
      3.200     1.300     1.300 peak   620 spectrum    1 weight  0.11000E+01 volume  0.67805E-03 ppm1      7.768 ppm2      3.792 CV     1
 ASSI {  621}
   (( segid "alk1" and resid 26   and name HN  ))
   (( segid "alk1" and resid 27   and name HD1 ))
      2.600     0.900     0.900 peak   621 spectrum    1 weight  0.11000E+01 volume  0.37899E-02 ppm1      7.768 ppm2      3.537 CV     1
 ASSI {  622}
   (( segid "alk1" and resid 26   and name HN  ))
   (( segid "alk1" and resid 24   and name HB2 ))
      2.700     0.900     0.900 peak   622 spectrum    1 weight  0.11000E+01 volume  0.19727E-02 ppm1      7.768 ppm2      3.054 CV     1
 ASSI {  624}
   (( segid "alk1" and resid 26   and name HN  ))
   (( segid "alk1" and resid 25   and name HB2 ))
      3.600     1.600     1.600 peak   624 spectrum    1 weight  0.11000E+01 volume  0.92834E-03 ppm1      7.768 ppm2      1.746 CV     1
 ASSI {  625}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 19   and name HB2 ))
      3.900     1.900     1.900 peak   625 spectrum    1 weight  0.11000E+01 volume  0.35257E-03 ppm1      7.600 ppm2      1.624 CV     1
 ASSI {  626}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 27   and name HA  ))
      3.800     1.800     1.800 peak   626 spectrum    1 weight  0.11000E+01 volume  0.85147E-03 ppm1      7.599 ppm2      4.823 CV     1
 ASSI {  628}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 27   and name HD1 ))
      4.100     2.100     1.900 peak   628 spectrum    1 weight  0.11000E+01 volume  0.95355E-03 ppm1      7.599 ppm2      3.548 CV     1
 ASSI {  629}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 27   and name HB2 ))
      2.600     0.800     0.800 peak   629 spectrum    1 weight  0.11000E+01 volume  0.19867E-02 ppm1      7.599 ppm2      2.104 CV     1
 ASSI {  630}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 27   and name HG1 ))
      2.900     2.900     3.100 peak   630 spectrum    1 weight  0.11000E+01 volume  0.15366E-02 ppm1      7.599 ppm2      1.996 CV     1
 OR {  630}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 27   and name HG2 ))
 ASSI {  631}
   (( segid "alk1" and resid 28   and name HN  ))
   (  segid "alk1" and resid 28   and name HG2%)
      2.900     1.100     1.100 peak   631 spectrum    1 weight  0.11000E+01 volume  0.23511E-02 ppm1      7.599 ppm2      0.986 CV     1
 ASSI {  632}
   (( segid "alk1" and resid 62   and name HN  ))
   (( segid "alk1" and resid 61   and name HA  ))
      2.600     0.900     0.900 peak   632 spectrum    1 weight  0.11000E+01 volume  0.37503E-02 ppm1      8.140 ppm2      4.495 CV     1
 ASSI {  633}
   (( segid "alk1" and resid 62   and name HN  ))
   (( segid "alk1" and resid 62   and name HA1 ))
      2.800     1.000     1.000 peak   633 spectrum    1 weight  0.11000E+01 volume  0.27466E-02 ppm1      8.140 ppm2      4.140 CV     1
 ASSI {  634}
   (( segid "alk1" and resid 62   and name HN  ))
   (( segid "alk1" and resid 62   and name HA2 ))
      2.800     1.000     1.000 peak   634 spectrum    1 weight  0.11000E+01 volume  0.32758E-02 ppm1      8.140 ppm2      3.888 CV     1
 ASSI {  635}
   (( segid "alk1" and resid 62   and name HN  ))
   (( segid "alk1" and resid 61   and name HB2 ))
      3.700     1.700     1.700 peak   635 spectrum    1 weight  0.11000E+01 volume  0.56933E-03 ppm1      8.141 ppm2      1.910 CV     1
 ASSI {  637}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 28   and name HA  ))
      2.700     0.900     0.900 peak   637 spectrum    1 weight  0.11000E+01 volume  0.19536E-02 ppm1      7.598 ppm2      5.363 CV     1
 ASSI {  638}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 28   and name HB  ))
      2.900     1.000     1.000 peak   638 spectrum    1 weight  0.11000E+01 volume  0.27457E-02 ppm1      7.599 ppm2      4.205 CV     1
 ASSI {  639}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 27   and name HB1 ))
      4.700     2.700     1.300 peak   639 spectrum    1 weight  0.11000E+01 volume  0.65894E-03 ppm1      7.599 ppm2      2.383 CV     1
 ASSI {  641}
   (( segid "alk1" and resid 33   and name HE1 ))
   (( segid "alk1" and resid 33   and name HZ2 ))
      2.600     2.600     3.400 peak   641 spectrum    1 weight  0.11000E+01 volume  0.40835E-02 ppm1      9.884 ppm2      7.057 CV     1
 ASSI {  643}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 21   and name HN  ))
      4.200     2.200     1.800 peak   643 spectrum    1 weight  0.11000E+01 volume  0.36082E-03 ppm1      9.105 ppm2      7.769 CV     1
 ASSI {  648}
   (( segid "alk1" and resid 71   and name HN  ))
   (  segid "alk1" and resid 71   and name HD% )
      4.400     2.500     1.600 peak   648 spectrum    1 weight  0.11000E+01 volume  0.58465E-03 ppm1      9.068 ppm2      6.866 CV     1
 ASSI {  651}
   (( segid "alk1" and resid 77   and name HN  ))
   (( segid "alk1" and resid 76   and name HN  ))
      4.700     2.700     1.300 peak   651 spectrum    1 weight  0.11000E+01 volume  0.31928E-03 ppm1      9.772 ppm2      8.305 CV     1
 ASSI {  652}
   (( segid "alk1" and resid 36   and name HN  ))
   (  segid "alk1" and resid 71   and name HD% )
      3.800     1.800     1.800 peak   652 spectrum    1 weight  0.11000E+01 volume  0.65663E-03 ppm1      8.841 ppm2      6.856 CV     1
 ASSI {  662}
   (( segid "alk1" and resid 31   and name HN  ))
   (( segid "alk1" and resid 30   and name HN  ))
      4.100     2.100     1.900 peak   662 spectrum    1 weight  0.11000E+01 volume  0.51586E-03 ppm1      8.870 ppm2      8.486 CV     1
 ASSI {  665}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 23   and name HE1 ))
      3.000     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.12986E-02 ppm1      8.935 ppm2      8.067 CV     1
 ASSI {  666}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 50   and name HN  ))
      2.900     1.100     1.100 peak   666 spectrum    1 weight  0.11000E+01 volume  0.15745E-02 ppm1      9.106 ppm2      8.854 CV     1
 ASSI {  670}
   (( segid "alk1" and resid 15   and name HN  ))
   (( segid "alk1" and resid 31   and name HN  ))
      2.600     0.800     0.800 peak   670 spectrum    1 weight  0.11000E+01 volume  0.25632E-02 ppm1      9.110 ppm2      8.870 CV     1
 ASSI {  673}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 58   and name HN  ))
      4.000     2.000     2.000 peak   673 spectrum    1 weight  0.11000E+01 volume  0.42183E-03 ppm1      7.635 ppm2      9.760 CV     1
 ASSI {  674}
   (( segid "alk1" and resid 15   and name HN  ))
   (( segid "alk1" and resid 30   and name HA  ))
      4.200     2.200     1.800 peak   674 spectrum    1 weight  0.11000E+01 volume  0.56793E-03 ppm1      9.114 ppm2      5.582 CV     1
 ASSI {  675}
   (( segid "alk1" and resid 15   and name HN  ))
   (( segid "alk1" and resid 31   and name HA2 ))
      5.600     3.900     0.400 peak   675 spectrum    1 weight  0.11000E+01 volume  0.96947E-04 ppm1      9.115 ppm2      3.341 CV     1
 ASSI {  676}
   (( segid "alk1" and resid 15   and name HN  ))
   (( segid "alk1" and resid 30   and name HD1 ))
      5.600     3.900     0.400 peak   676 spectrum    1 weight  0.11000E+01 volume  0.86173E-04 ppm1      9.112 ppm2      3.062 CV     1
 OR {  676}
   (( segid "alk1" and resid 15   and name HN  ))
   (( segid "alk1" and resid 30   and name HD2 ))
 ASSI {  677}
   (( segid "alk1" and resid 15   and name HN  ))
   (( segid "alk1" and resid 32   and name HN  ))
      4.400     2.400     1.600 peak   677 spectrum    1 weight  0.11000E+01 volume  0.21140E-03 ppm1      9.110 ppm2      7.736 CV     1
 ASSI {  678}
   (( segid "alk1" and resid 16   and name HN  ))
   (( segid "alk1" and resid 77   and name HN  ))
      4.000     2.000     2.000 peak   678 spectrum    1 weight  0.11000E+01 volume  0.49602E-03 ppm1      8.893 ppm2      9.771 CV     1
 ASSI {  680}
   (( segid "alk1" and resid 16   and name HN  ))
   (( segid "alk1" and resid 30   and name HA  ))
      4.900     3.100     1.100 peak   680 spectrum    1 weight  0.11000E+01 volume  0.10984E-03 ppm1      8.896 ppm2      5.586 CV     1
 ASSI {  681}
   (( segid "alk1" and resid 16   and name HN  ))
   (( segid "alk1" and resid 76   and name HB2 ))
      3.500     1.500     1.500 peak   681 spectrum    1 weight  0.11000E+01 volume  0.67255E-03 ppm1      8.891 ppm2      3.069 CV     1
 OR {  681}
   (( segid "alk1" and resid 16   and name HN  ))
   (( segid "alk1" and resid 76   and name HB1 ))
 ASSI {  682}
   (( segid "alk1" and resid 16   and name HN  ))
   (  segid "alk1" and resid 77   and name HD2%)
      5.300     3.600     0.700 peak   682 spectrum    1 weight  0.11000E+01 volume  0.11383E-03 ppm1      8.893 ppm2      0.544 CV     1
 ASSI {  684}
   (( segid "alk1" and resid 17   and name HN  ))
   (( segid "alk1" and resid 28   and name HA  ))
      4.300     2.300     1.700 peak   684 spectrum    1 weight  0.11000E+01 volume  0.34563E-03 ppm1      9.166 ppm2      5.366 CV     1
 ASSI {  685}
   (( segid "alk1" and resid 17   and name HN  ))
   (  segid "alk1" and resid 77   and name HD2%)
      4.300     2.300     1.700 peak   685 spectrum    1 weight  0.11000E+01 volume  0.47543E-03 ppm1      9.165 ppm2      0.542 CV     1
 ASSI {  686}
   (( segid "alk1" and resid 17   and name HN  ))
   (  segid "alk1" and resid 15   and name HG1%)
      5.200     3.400     0.800 peak   686 spectrum    1 weight  0.11000E+01 volume  0.91138E-04 ppm1      9.169 ppm2      0.784 CV     1
 OR {  686}
   (( segid "alk1" and resid 17   and name HN  ))
   (  segid "alk1" and resid 15   and name HG2%)
 ASSI {  687}
   (( segid "alk1" and resid 17   and name HN  ))
   (  segid "alk1" and resid 28   and name HG2%)
      4.400     2.400     1.600 peak   687 spectrum    1 weight  0.11000E+01 volume  0.35361E-03 ppm1      9.164 ppm2      0.992 CV     1
 ASSI {  689}
   (( segid "alk1" and resid 17   and name HN  ))
   (( segid "alk1" and resid 16   and name HB  ))
      4.700     2.800     1.300 peak   689 spectrum    1 weight  0.11000E+01 volume  0.33819E-03 ppm1      9.167 ppm2      4.136 CV     1
 ASSI {  692}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 77   and name HN  ))
      4.700     2.800     1.300 peak   692 spectrum    1 weight  0.11000E+01 volume  0.39209E-03 ppm1      8.932 ppm2      9.773 CV     1
 ASSI {  693}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 80   and name HA  ))
      4.300     2.300     1.700 peak   693 spectrum    1 weight  0.11000E+01 volume  0.36631E-03 ppm1      8.933 ppm2      4.158 CV     1
 ASSI {  694}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 50   and name HB1 ))
      4.800     4.800     1.200 peak   694 spectrum    1 weight  0.11000E+01 volume  0.12923E-03 ppm1      8.930 ppm2      1.818 CV     1
 OR {  694}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 50   and name HB2 ))
 ASSI {  695}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 77   and name HB1 ))
      5.100     3.200     0.900 peak   695 spectrum    1 weight  0.11000E+01 volume  0.20893E-03 ppm1      8.935 ppm2      1.603 CV     1
 OR {  695}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 77   and name HB2 ))
 ASSI {  696}
   (( segid "alk1" and resid 18   and name HN  ))
   (  segid "alk1" and resid 77   and name HD1%)
      5.100     3.300     0.900 peak   696 spectrum    1 weight  0.11000E+01 volume  0.26743E-03 ppm1      8.934 ppm2      0.639 CV     1
 ASSI {  698}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 80   and name HB2 ))
      2.900     1.100     1.100 peak   698 spectrum    1 weight  0.11000E+01 volume  0.14152E-02 ppm1      8.929 ppm2      3.373 CV     1
 ASSI {  701}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 17   and name HN  ))
      4.500     2.500     1.500 peak   701 spectrum    1 weight  0.11000E+01 volume  0.26690E-03 ppm1      8.923 ppm2      9.164 CV     1
 ASSI {  702}
   (( segid "alk1" and resid 19   and name HN  ))
   (  segid "alk1" and resid 77   and name HD2%)
      3.900     1.900     1.900 peak   702 spectrum    1 weight  0.11000E+01 volume  0.88013E-04 ppm1      8.227 ppm2      0.543 CV     1
 ASSI {  703}
   (( segid "alk1" and resid 19   and name HN  ))
   (( segid "alk1" and resid 27   and name HB2 ))
      5.000     5.000     1.000 peak   703 spectrum    1 weight  0.11000E+01 volume  0.14545E-03 ppm1      8.229 ppm2      2.138 CV     1
 ASSI {  704}
   (( segid "alk1" and resid 19   and name HN  ))
   (( segid "alk1" and resid 50   and name HB1 ))
      4.900     4.900     1.100 peak   704 spectrum    1 weight  0.11000E+01 volume  0.13180E-03 ppm1      8.227 ppm2      1.825 CV     1
 OR {  704}
   (( segid "alk1" and resid 19   and name HN  ))
   (( segid "alk1" and resid 50   and name HB2 ))
 ASSI {  705}
   (( segid "alk1" and resid 19   and name HN  ))
   (( segid "alk1" and resid 18   and name HB  ))
      4.000     2.000     2.000 peak   705 spectrum    1 weight  0.11000E+01 volume  0.64047E-03 ppm1      8.229 ppm2      3.492 CV     1
 ASSI {  706}
   (( segid "alk1" and resid 19   and name HN  ))
   (( segid "alk1" and resid 28   and name HB  ))
      4.300     2.300     1.700 peak   706 spectrum    1 weight  0.11000E+01 volume  0.69743E-03 ppm1      8.229 ppm2      4.217 CV     1
 ASSI {  709}
   (( segid "alk1" and resid 19   and name HN  ))
   (( segid "alk1" and resid 29   and name HN  ))
      4.000     2.000     2.000 peak   709 spectrum    1 weight  0.11000E+01 volume  0.11521E-02 ppm1      8.229 ppm2      8.875 CV     1
 ASSI {  710}
   (( segid "alk1" and resid 19   and name HN  ))
   (( segid "alk1" and resid 20   and name HN  ))
      4.100     2.100     1.900 peak   710 spectrum    1 weight  0.11000E+01 volume  0.41171E-03 ppm1      8.229 ppm2      9.116 CV     1
 ASSI {  712}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 29   and name HN  ))
      3.800     1.800     1.800 peak   712 spectrum    1 weight  0.11000E+01 volume  0.73685E-03 ppm1      7.598 ppm2      8.877 CV     1
 ASSI {  713}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 19   and name HN  ))
      3.500     1.500     1.500 peak   713 spectrum    1 weight  0.11000E+01 volume  0.10795E-02 ppm1      7.602 ppm2      8.231 CV     1
 ASSI {  717}
   (( segid "alk1" and resid 29   and name HN  ))
   (( segid "alk1" and resid 17   and name HN  ))
      2.900     1.100     1.100 peak   717 spectrum    1 weight  0.11000E+01 volume  0.15567E-02 ppm1      8.871 ppm2      9.163 CV     1
 ASSI {  718}
   (( segid "alk1" and resid 29   and name HN  ))
   (( segid "alk1" and resid 18   and name HA  ))
      4.200     2.200     1.800 peak   718 spectrum    1 weight  0.11000E+01 volume  0.54560E-03 ppm1      8.871 ppm2      4.010 CV     1
 ASSI {  720}
   (( segid "alk1" and resid 29   and name HN  ))
   (( segid "alk1" and resid 29   and name HB2 ))
      4.300     2.300     1.700 peak   720 spectrum    1 weight  0.11000E+01 volume  0.48298E-03 ppm1      8.870 ppm2      3.480 CV     1
 ASSI {  721}
   (( segid "alk1" and resid 29   and name HN  ))
   (( segid "alk1" and resid 17   and name HB1 ))
      4.800     2.900     1.200 peak   721 spectrum    1 weight  0.11000E+01 volume  0.26354E-03 ppm1      8.867 ppm2      2.961 CV     1
 ASSI {  723}
   (( segid "alk1" and resid 30   and name HN  ))
   (( segid "alk1" and resid 17   and name HN  ))
      5.500     5.500     0.500 peak   723 spectrum    1 weight  0.11000E+01 volume  0.97960E-04 ppm1      8.488 ppm2      9.128 CV     1
 ASSI {  724}
   (( segid "alk1" and resid 30   and name HN  ))
   (( segid "alk1" and resid 16   and name HB  ))
      4.800     2.900     1.200 peak   724 spectrum    1 weight  0.11000E+01 volume  0.29638E-03 ppm1      8.485 ppm2      4.147 CV     1
 ASSI {  725}
   (( segid "alk1" and resid 30   and name HN  ))
   (( segid "alk1" and resid 30   and name HD2 ))
      4.500     2.500     1.500 peak   725 spectrum    1 weight  0.11000E+01 volume  0.43859E-03 ppm1      8.485 ppm2      3.066 CV     1
 OR {  725}
   (( segid "alk1" and resid 30   and name HN  ))
   (( segid "alk1" and resid 30   and name HD1 ))
 ASSI {  727}
   (( segid "alk1" and resid 31   and name HN  ))
   (( segid "alk1" and resid 52   and name HB2 ))
      3.800     1.800     1.800 peak   727 spectrum    1 weight  0.11000E+01 volume  0.44275E-03 ppm1      8.866 ppm2      2.451 CV     1
 ASSI {  728}
   (( segid "alk1" and resid 31   and name HN  ))
   (( segid "alk1" and resid 15   and name HB  ))
      5.000     3.100     1.000 peak   728 spectrum    1 weight  0.11000E+01 volume  0.10403E-03 ppm1      8.865 ppm2      1.842 CV     1
 ASSI {  729}
   (( segid "alk1" and resid 31   and name HN  ))
   (( segid "alk1" and resid 30   and name HD1 ))
      2.900     2.900     3.100 peak   729 spectrum    1 weight  0.11000E+01 volume  0.50403E-03 ppm1      8.866 ppm2      3.064 CV     1
 OR {  729}
   (( segid "alk1" and resid 31   and name HN  ))
   (( segid "alk1" and resid 30   and name HD2 ))
 ASSI {  732}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 33   and name HE1 ))
      6.000     4.500     0.000 peak   732 spectrum    1 weight  0.11000E+01 volume  0.78107E-04 ppm1      7.835 ppm2      9.890 CV     1
 ASSI {  733}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 34   and name HN  ))
      3.800     1.800     1.800 peak   733 spectrum    1 weight  0.11000E+01 volume  0.61067E-03 ppm1      7.833 ppm2      9.305 CV     1
 ASSI {  734}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 53   and name HN  ))
      2.800     1.000     1.000 peak   734 spectrum    1 weight  0.11000E+01 volume  0.24772E-02 ppm1      7.833 ppm2      8.684 CV     1
 ASSI {  735}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 34   and name HA  ))
      4.800     2.800     1.200 peak   735 spectrum    1 weight  0.11000E+01 volume  0.12344E-03 ppm1      7.835 ppm2      5.900 CV     1
 ASSI {  736}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 52   and name HB1 ))
      4.300     2.300     1.700 peak   736 spectrum    1 weight  0.11000E+01 volume  0.42605E-03 ppm1      7.833 ppm2      2.899 CV     1
 ASSI {  737}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 52   and name HB2 ))
      4.400     2.400     1.600 peak   737 spectrum    1 weight  0.11000E+01 volume  0.35626E-03 ppm1      7.833 ppm2      2.459 CV     1
 ASSI {  738}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 53   and name HA2 ))
      5.000     3.100     1.000 peak   738 spectrum    1 weight  0.11000E+01 volume  0.39991E-03 ppm1      7.833 ppm2      2.242 CV     1
 ASSI {  739}
   (( segid "alk1" and resid 33   and name HN  ))
   (  segid "alk1" and resid 35   and name HG2%)
      4.900     3.000     1.100 peak   739 spectrum    1 weight  0.11000E+01 volume  0.34643E-03 ppm1      7.832 ppm2      1.233 CV     1
 ASSI {  741}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 33   and name HD1 ))
      4.700     2.700     1.300 peak   741 spectrum    1 weight  0.11000E+01 volume  0.12021E-03 ppm1      9.303 ppm2      7.241 CV     1
 ASSI {  743}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 53   and name HN  ))
      5.700     4.100     0.300 peak   743 spectrum    1 weight  0.11000E+01 volume  0.59451E-04 ppm1      9.304 ppm2      8.690 CV     1
 ASSI {  744}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 72   and name HB1 ))
      3.900     1.900     1.900 peak   744 spectrum    1 weight  0.11000E+01 volume  0.77869E-03 ppm1      9.306 ppm2      2.915 CV     1
 ASSI {  745}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 72   and name HB2 ))
      5.600     3.900     0.400 peak   745 spectrum    1 weight  0.11000E+01 volume  0.11495E-03 ppm1      9.309 ppm2      2.694 CV     1
 ASSI {  746}
   (( segid "alk1" and resid 34   and name HN  ))
   (  segid "alk1" and resid 35   and name HG2%)
      5.200     3.300     0.800 peak   746 spectrum    1 weight  0.11000E+01 volume  0.83816E-04 ppm1      9.309 ppm2      1.237 CV     1
 ASSI {  747}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 73   and name HA  ))
      3.500     1.500     1.500 peak   747 spectrum    1 weight  0.11000E+01 volume  0.16278E-02 ppm1      9.305 ppm2      4.760 CV     1
 ASSI {  748}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 72   and name HA  ))
      4.200     2.200     1.800 peak   748 spectrum    1 weight  0.11000E+01 volume  0.56028E-03 ppm1      9.307 ppm2      5.795 CV     1
 ASSI {  750}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 35   and name HN  ))
      4.400     2.400     1.600 peak   750 spectrum    1 weight  0.11000E+01 volume  0.30997E-03 ppm1      9.306 ppm2      8.950 CV     1
 ASSI {  751}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 33   and name HE1 ))
      6.000     6.000     0.000 peak   751 spectrum    1 weight  0.11000E+01 volume  0.21402E-04 ppm1      9.308 ppm2      9.885 CV     1
 ASSI {  755}
   (( segid "alk1" and resid 35   and name HN  ))
   (  segid "alk1" and resid 36   and name HG1%)
      3.600     1.700     1.700 peak   755 spectrum    1 weight  0.11000E+01 volume  0.63514E-03 ppm1      8.933 ppm2      1.141 CV     1
 ASSI {  756}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 50   and name HB1 ))
      4.600     4.600     1.400 peak   756 spectrum    1 weight  0.11000E+01 volume  0.30415E-03 ppm1      8.936 ppm2      1.758 CV     1
 ASSI {  759}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 17   and name HB1 ))
      3.700     1.700     1.700 peak   759 spectrum    1 weight  0.11000E+01 volume  0.10808E-02 ppm1      8.933 ppm2      2.961 CV     1
 ASSI {  761}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 51   and name HA2 ))
      5.000     3.100     1.000 peak   761 spectrum    1 weight  0.11000E+01 volume  0.12076E-03 ppm1      8.938 ppm2      3.865 CV     1
 ASSI {  763}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 35   and name HB  ))
      3.900     1.900     1.900 peak   763 spectrum    1 weight  0.11000E+01 volume  0.51710E-03 ppm1      8.935 ppm2      4.023 CV     1
 ASSI {  765}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 33   and name HA  ))
      6.000     5.000     0.000 peak   765 spectrum    1 weight  0.11000E+01 volume  0.46581E-04 ppm1      8.939 ppm2      4.628 CV     1
 ASSI {  766}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 36   and name HA  ))
      4.100     2.100     1.900 peak   766 spectrum    1 weight  0.11000E+01 volume  0.31590E-03 ppm1      8.936 ppm2      4.744 CV     1
 ASSI {  767}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 23   and name HD2 ))
      4.700     2.800     1.300 peak   767 spectrum    1 weight  0.11000E+01 volume  0.26220E-03 ppm1      8.933 ppm2      7.071 CV     1
 ASSI {  769}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 52   and name HN  ))
      3.900     1.900     1.900 peak   769 spectrum    1 weight  0.11000E+01 volume  0.51610E-03 ppm1      8.937 ppm2      8.326 CV     1
 ASSI {  770}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 79   and name HN  ))
      4.900     3.000     1.100 peak   770 spectrum    1 weight  0.11000E+01 volume  0.32921E-03 ppm1      8.941 ppm2      8.447 CV     1
 ASSI {  771}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 53   and name HN  ))
      3.500     1.500     1.500 peak   771 spectrum    1 weight  0.11000E+01 volume  0.62394E-03 ppm1      8.935 ppm2      8.686 CV     1
 ASSI {  776}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 33   and name HE1 ))
      6.000     6.000     0.000 peak   776 spectrum    1 weight  0.11000E+01 volume  0.30011E-04 ppm1      8.932 ppm2      9.878 CV     1
 ASSI {  777}
   (( segid "alk1" and resid 36   and name HN  ))
   (  segid "alk1" and resid 36   and name HG2%)
      3.200     1.300     1.300 peak   777 spectrum    1 weight  0.11000E+01 volume  0.84446E-03 ppm1      8.836 ppm2      0.893 CV     1
 ASSI {  778}
   (( segid "alk1" and resid 36   and name HN  ))
   (( segid "alk1" and resid 36   and name HA  ))
      2.900     1.100     1.100 peak   778 spectrum    1 weight  0.11000E+01 volume  0.11576E-02 ppm1      8.842 ppm2      4.764 CV     1
 ASSI {  779}
   (( segid "alk1" and resid 36   and name HN  ))
   (( segid "alk1" and resid 70   and name HA  ))
      4.300     2.300     1.700 peak   779 spectrum    1 weight  0.11000E+01 volume  0.35720E-03 ppm1      8.848 ppm2      5.063 CV     1
 ASSI {  781}
   (( segid "alk1" and resid 36   and name HN  ))
   (  segid "alk1" and resid 82   and name HG2%)
      6.000     6.000     0.000 peak   781 spectrum    1 weight  0.11000E+01 volume  0.40976E-04 ppm1      8.834 ppm2      0.215 CV     1
 ASSI {  782}
   (( segid "alk1" and resid 36   and name HN  ))
   (  segid "alk1" and resid 84   and name HD2%)
      4.800     2.900     1.200 peak   782 spectrum    1 weight  0.11000E+01 volume  0.35116E-03 ppm1      8.841 ppm2      0.576 CV     1
 ASSI {  783}
   (( segid "alk1" and resid 37   and name HN  ))
   (  segid "alk1" and resid 82   and name HG2%)
      6.000     5.900     0.000 peak   783 spectrum    1 weight  0.11000E+01 volume  0.46414E-04 ppm1      9.049 ppm2      0.197 CV     1
 ASSI {  784}
   (( segid "alk1" and resid 37   and name HN  ))
   (  segid "alk1" and resid 84   and name HD2%)
      4.100     2.100     1.900 peak   784 spectrum    1 weight  0.11000E+01 volume  0.34218E-03 ppm1      9.046 ppm2      0.572 CV     1
 ASSI {  788}
   (( segid "alk1" and resid 37   and name HN  ))
   (( segid "alk1" and resid 49   and name HB2 ))
      3.400     1.400     1.400 peak   788 spectrum    1 weight  0.11000E+01 volume  0.75026E-03 ppm1      9.046 ppm2      3.033 CV     1
 ASSI {  789}
   (( segid "alk1" and resid 37   and name HN  ))
   (( segid "alk1" and resid 49   and name HB1 ))
      3.800     1.800     1.800 peak   789 spectrum    1 weight  0.11000E+01 volume  0.87748E-03 ppm1      9.044 ppm2      3.160 CV     1
 ASSI {  790}
   (( segid "alk1" and resid 37   and name HN  ))
   (( segid "alk1" and resid 35   and name HB  ))
      4.800     2.800     1.200 peak   790 spectrum    1 weight  0.11000E+01 volume  0.18926E-03 ppm1      9.043 ppm2      4.016 CV     1
 ASSI {  792}
   (( segid "alk1" and resid 37   and name HN  ))
   (( segid "alk1" and resid 38   and name HA  ))
      2.800     2.800     3.200 peak   792 spectrum    1 weight  0.11000E+01 volume  0.25344E-02 ppm1      9.048 ppm2      4.863 CV     1
 ASSI {  794}
   (( segid "alk1" and resid 37   and name HN  ))
   (( segid "alk1" and resid 49   and name HA  ))
      3.900     1.900     1.900 peak   794 spectrum    1 weight  0.11000E+01 volume  0.44365E-03 ppm1      9.047 ppm2      5.393 CV     1
 ASSI {  795}
   (( segid "alk1" and resid 37   and name HN  ))
   (( segid "alk1" and resid 69   and name HD21))
      6.000     6.000     0.000 peak   795 spectrum    1 weight  0.11000E+01 volume  0.38696E-04 ppm1      9.043 ppm2      6.865 CV     1
 ASSI {  796}
   (( segid "alk1" and resid 37   and name HN  ))
   (( segid "alk1" and resid 38   and name HN  ))
      3.800     1.800     1.800 peak   796 spectrum    1 weight  0.11000E+01 volume  0.68110E-03 ppm1      9.045 ppm2      8.443 CV     1
 ASSI {  798}
   (( segid "alk1" and resid 37   and name HN  ))
   (( segid "alk1" and resid 36   and name HN  ))
      3.800     1.800     1.800 peak   798 spectrum    1 weight  0.11000E+01 volume  0.75744E-03 ppm1      9.036 ppm2      8.849 CV     1
 ASSI {  800}
   (( segid "alk1" and resid 37   and name HN  ))
   (( segid "alk1" and resid 49   and name HN  ))
      2.800     1.000     1.000 peak   800 spectrum    1 weight  0.11000E+01 volume  0.21594E-02 ppm1      9.044 ppm2      9.196 CV     1
 ASSI {  803}
   (( segid "alk1" and resid 38   and name HN  ))
   (( segid "alk1" and resid 39   and name HN  ))
      4.100     2.100     1.900 peak   803 spectrum    1 weight  0.11000E+01 volume  0.46813E-03 ppm1      8.457 ppm2      8.873 CV     1
 ASSI {  805}
   (( segid "alk1" and resid 38   and name HN  ))
   (( segid "alk1" and resid 69   and name HB1 ))
      3.500     1.600     1.600 peak   805 spectrum    1 weight  0.11000E+01 volume  0.53061E-03 ppm1      8.452 ppm2      2.833 CV     1
 ASSI {  806}
   (( segid "alk1" and resid 38   and name HN  ))
   (( segid "alk1" and resid 69   and name HB2 ))
      3.500     1.500     1.500 peak   806 spectrum    1 weight  0.11000E+01 volume  0.84239E-03 ppm1      8.455 ppm2      2.960 CV     1
 ASSI {  807}
   (( segid "alk1" and resid 38   and name HN  ))
   (( segid "alk1" and resid 37   and name HB  ))
      3.400     1.400     1.400 peak   807 spectrum    1 weight  0.11000E+01 volume  0.92241E-03 ppm1      8.456 ppm2      1.838 CV     1
 ASSI {  808}
   (( segid "alk1" and resid 38   and name HN  ))
   (  segid "alk1" and resid 36   and name HG2%)
      5.500     3.800     0.500 peak   808 spectrum    1 weight  0.11000E+01 volume  0.83357E-04 ppm1      8.445 ppm2      0.892 CV     1
 ASSI {  809}
   (( segid "alk1" and resid 38   and name HN  ))
   (  segid "alk1" and resid 84   and name HD2%)
      4.000     2.000     2.000 peak   809 spectrum    1 weight  0.11000E+01 volume  0.44013E-03 ppm1      8.450 ppm2      0.575 CV     1
 ASSI {  810}
   (( segid "alk1" and resid 39   and name HN  ))
   (  segid "alk1" and resid 37   and name HG1%)
      4.200     4.200     1.800 peak   810 spectrum    1 weight  0.11000E+01 volume  0.45773E-03 ppm1      8.868 ppm2      0.693 CV     1
 ASSI {  812}
   (( segid "alk1" and resid 39   and name HN  ))
   (( segid "alk1" and resid 47   and name HG2 ))
      6.000     4.600     0.000 peak   812 spectrum    1 weight  0.11000E+01 volume  0.58814E-04 ppm1      8.871 ppm2      2.324 CV     1
 OR {  812}
   (( segid "alk1" and resid 39   and name HN  ))
   (( segid "alk1" and resid 47   and name HG1 ))
 ASSI {  814}
   (( segid "alk1" and resid 39   and name HN  ))
   (( segid "alk1" and resid 46   and name HA  ))
      3.900     1.900     1.900 peak   814 spectrum    1 weight  0.11000E+01 volume  0.68395E-03 ppm1      8.871 ppm2      4.640 CV     1
 ASSI {  815}
   (( segid "alk1" and resid 39   and name HN  ))
   (( segid "alk1" and resid 40   and name HA  ))
      3.900     1.900     1.900 peak   815 spectrum    1 weight  0.11000E+01 volume  0.48673E-03 ppm1      8.869 ppm2      4.538 CV     1
 ASSI {  816}
   (( segid "alk1" and resid 39   and name HN  ))
   (( segid "alk1" and resid 40   and name HN  ))
      4.400     2.400     1.600 peak   816 spectrum    1 weight  0.11000E+01 volume  0.41844E-03 ppm1      8.863 ppm2      8.656 CV     1
 ASSI {  817}
   (( segid "alk1" and resid 40   and name HN  ))
   (  segid "alk1" and resid 68   and name HG2%)
      5.300     3.500     0.700 peak   817 spectrum    1 weight  0.11000E+01 volume  0.98131E-04 ppm1      8.675 ppm2      0.953 CV     1
 ASSI {  819}
   (( segid "alk1" and resid 40   and name HN  ))
   (( segid "alk1" and resid 40   and name HD1 ))
      4.300     2.300     1.700 peak   819 spectrum    1 weight  0.11000E+01 volume  0.28650E-03 ppm1      8.669 ppm2      3.098 CV     1
 OR {  819}
   (( segid "alk1" and resid 40   and name HN  ))
   (( segid "alk1" and resid 40   and name HD2 ))
 ASSI {  820}
   (( segid "alk1" and resid 40   and name HN  ))
   (( segid "alk1" and resid 41   and name HN  ))
      3.900     1.900     1.900 peak   820 spectrum    1 weight  0.11000E+01 volume  0.57034E-03 ppm1      8.662 ppm2      8.464 CV     1
 ASSI {  822}
   (( segid "alk1" and resid 40   and name HN  ))
   (( segid "alk1" and resid 46   and name HA  ))
      3.600     1.600     1.600 peak   822 spectrum    1 weight  0.11000E+01 volume  0.78999E-03 ppm1      8.665 ppm2      4.642 CV     1
 ASSI {  823}
   (( segid "alk1" and resid 48   and name HN  ))
   (  segid "alk1" and resid 39   and name HG2%)
      5.200     3.300     0.800 peak   823 spectrum    1 weight  0.11000E+01 volume  0.15222E-03 ppm1      8.746 ppm2      0.589 CV     1
 ASSI {  826}
   (( segid "alk1" and resid 48   and name HN  ))
   (( segid "alk1" and resid 49   and name HA  ))
      5.500     3.800     0.500 peak   826 spectrum    1 weight  0.11000E+01 volume  0.59625E-04 ppm1      8.733 ppm2      5.395 CV     1
 ASSI {  827}
   (( segid "alk1" and resid 48   and name HN  ))
   (( segid "alk1" and resid 38   and name HA  ))
      3.800     1.800     1.800 peak   827 spectrum    1 weight  0.11000E+01 volume  0.72720E-03 ppm1      8.749 ppm2      4.875 CV     1
 ASSI {  828}
   (( segid "alk1" and resid 48   and name HN  ))
   (( segid "alk1" and resid 49   and name HD2 ))
      6.000     6.000     0.000 peak   828 spectrum    1 weight  0.10000E+01 volume  0.47698E-05 ppm1      8.741 ppm2      7.016 CV     1
 ASSI {  829}
   (( segid "alk1" and resid 48   and name HN  ))
   (( segid "alk1" and resid 49   and name HN  ))
      3.500     1.600     1.600 peak   829 spectrum    1 weight  0.11000E+01 volume  0.13393E-02 ppm1      8.749 ppm2      9.201 CV     1
 ASSI {  832}
   (( segid "alk1" and resid 49   and name HN  ))
   (  segid "alk1" and resid 36   and name HG2%)
      4.100     2.100     1.900 peak   832 spectrum    1 weight  0.11000E+01 volume  0.62230E-03 ppm1      9.196 ppm2      0.894 CV     1
 ASSI {  834}
   (( segid "alk1" and resid 49   and name HN  ))
   (( segid "alk1" and resid 50   and name HA  ))
      2.600     2.600     3.400 peak   834 spectrum    1 weight  0.11000E+01 volume  0.50024E-02 ppm1      9.193 ppm2      5.198 CV     1
 ASSI {  836}
   (( segid "alk1" and resid 49   and name HN  ))
   (( segid "alk1" and resid 47   and name HA  ))
      4.700     2.800     1.300 peak   836 spectrum    1 weight  0.11000E+01 volume  0.31996E-03 ppm1      9.198 ppm2      4.594 CV     1
 ASSI {  837}
   (( segid "alk1" and resid 49   and name HN  ))
   (( segid "alk1" and resid 49   and name HD2 ))
      3.800     1.800     1.800 peak   837 spectrum    1 weight  0.11000E+01 volume  0.50373E-03 ppm1      9.194 ppm2      7.015 CV     1
 ASSI {  838}
   (( segid "alk1" and resid 49   and name HN  ))
   (( segid "alk1" and resid 47   and name HN  ))
      4.000     2.000     2.000 peak   838 spectrum    1 weight  0.11000E+01 volume  0.75583E-04 ppm1      9.200 ppm2      8.544 CV     1
 ASSI {  839}
   (( segid "alk1" and resid 49   and name HN  ))
   (( segid "alk1" and resid 38   and name HN  ))
      5.600     4.000     0.400 peak   839 spectrum    1 weight  0.11000E+01 volume  0.57765E-04 ppm1      9.200 ppm2      8.432 CV     1
 ASSI {  841}
   (( segid "alk1" and resid 49   and name HN  ))
   (( segid "alk1" and resid 50   and name HN  ))
      3.600     1.600     1.600 peak   841 spectrum    1 weight  0.11000E+01 volume  0.11300E-02 ppm1      9.192 ppm2      8.862 CV     1
 ASSI {  846}
   (( segid "alk1" and resid 51   and name HN  ))
   (  segid "alk1" and resid 84   and name HD1%)
      6.000     4.900     0.000 peak   846 spectrum    1 weight  0.11000E+01 volume  0.57185E-04 ppm1      8.212 ppm2      0.676 CV     1
 ASSI {  847}
   (( segid "alk1" and resid 51   and name HN  ))
   (  segid "alk1" and resid 36   and name HG2%)
      5.900     4.400     0.100 peak   847 spectrum    1 weight  0.11000E+01 volume  0.87021E-04 ppm1      8.205 ppm2      0.899 CV     1
 ASSI {  848}
   (( segid "alk1" and resid 51   and name HN  ))
   (  segid "alk1" and resid 35   and name HG2%)
      4.200     2.200     1.800 peak   848 spectrum    1 weight  0.11000E+01 volume  0.53491E-03 ppm1      8.210 ppm2      1.241 CV     1
 ASSI {  849}
   (( segid "alk1" and resid 51   and name HN  ))
   (  segid "alk1" and resid 36   and name HG1%)
      3.900     1.900     1.900 peak   849 spectrum    1 weight  0.11000E+01 volume  0.42233E-03 ppm1      8.210 ppm2      1.135 CV     1
 ASSI {  850}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 50   and name HG2 ))
      4.100     2.100     1.900 peak   850 spectrum    1 weight  0.11000E+01 volume  0.56712E-03 ppm1      8.209 ppm2      1.504 CV     1
 OR {  850}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 50   and name HG1 ))
 ASSI {  853}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 35   and name HN  ))
      3.000     1.100     1.100 peak   853 spectrum    1 weight  0.11000E+01 volume  0.13317E-02 ppm1      8.214 ppm2      8.950 CV     1
 ASSI {  855}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 53   and name HN  ))
      3.700     3.700     2.300 peak   855 spectrum    1 weight  0.11000E+01 volume  0.94658E-03 ppm1      8.216 ppm2      8.695 CV     1
 ASSI {  856}
   (( segid "alk1" and resid 52   and name HN  ))
   (( segid "alk1" and resid 19   and name HA  ))
      4.900     3.100     1.100 peak   856 spectrum    1 weight  0.11000E+01 volume  0.29002E-03 ppm1      8.321 ppm2      5.044 CV     1
 ASSI {  861}
   (( segid "alk1" and resid 52   and name HN  ))
   (( segid "alk1" and resid 22   and name HG1 ))
      4.200     2.200     1.800 peak   861 spectrum    1 weight  0.11000E+01 volume  0.56886E-04 ppm1      8.328 ppm2      1.732 CV     1
 ASSI {  863}
   (( segid "alk1" and resid 52   and name HN  ))
   (( segid "alk1" and resid 32   and name HN  ))
      6.000     6.000     0.000 peak   863 spectrum    1 weight  0.11000E+01 volume  0.66320E-04 ppm1      8.323 ppm2      7.722 CV     1
 ASSI {  864}
   (( segid "alk1" and resid 53   and name HN  ))
   (( segid "alk1" and resid 23   and name HD2 ))
      4.900     3.000     1.100 peak   864 spectrum    1 weight  0.11000E+01 volume  0.17574E-03 ppm1      8.679 ppm2      7.062 CV     1
 ASSI {  865}
   (( segid "alk1" and resid 53   and name HN  ))
   (( segid "alk1" and resid 52   and name HN  ))
      4.100     2.100     1.900 peak   865 spectrum    1 weight  0.11000E+01 volume  0.46367E-03 ppm1      8.683 ppm2      8.319 CV     1
 ASSI {  866}
   (( segid "alk1" and resid 53   and name HN  ))
   (( segid "alk1" and resid 54   and name HN  ))
      3.500     1.500     1.500 peak   866 spectrum    1 weight  0.11000E+01 volume  0.48428E-03 ppm1      8.683 ppm2      8.112 CV     1
 ASSI {  871}
   (( segid "alk1" and resid 53   and name HN  ))
   (( segid "alk1" and resid 31   and name HA2 ))
      4.100     2.100     1.900 peak   871 spectrum    1 weight  0.11000E+01 volume  0.56752E-03 ppm1      8.682 ppm2      3.327 CV     1
 ASSI {  872}
   (( segid "alk1" and resid 67   and name HN  ))
   (  segid "alk1" and resid 67   and name HD% )
      3.100     1.200     1.200 peak   872 spectrum    1 weight  0.11000E+01 volume  0.13208E-02 ppm1      8.133 ppm2      7.223 CV     1
 ASSI {  873}
   (( segid "alk1" and resid 67   and name HN  ))
   (( segid "alk1" and resid 66   and name HN  ))
      3.000     1.200     1.200 peak   873 spectrum    1 weight  0.11000E+01 volume  0.14433E-02 ppm1      8.137 ppm2      8.333 CV     1
 ASSI {  874}
   (( segid "alk1" and resid 67   and name HN  ))
   (( segid "alk1" and resid 68   and name HN  ))
      2.500     0.800     0.800 peak   874 spectrum    1 weight  0.11000E+01 volume  0.40738E-02 ppm1      8.132 ppm2      7.789 CV     1
 ASSI {  876}
   (( segid "alk1" and resid 67   and name HN  ))
   (  segid "alk1" and resid 86   and name HD1%)
      4.900     3.000     1.100 peak   876 spectrum    1 weight  0.11000E+01 volume  0.14427E-03 ppm1      8.135 ppm2      0.777 CV     1
 ASSI {  877}
   (( segid "alk1" and resid 67   and name HN  ))
   (  segid "alk1" and resid 65   and name HG2%)
      3.200     1.300     1.300 peak   877 spectrum    1 weight  0.11000E+01 volume  0.32192E-03 ppm1      8.134 ppm2      1.210 CV     1
 ASSI {  878}
   (( segid "alk1" and resid 67   and name HN  ))
   (( segid "alk1" and resid 68   and name HB  ))
      4.300     2.300     1.700 peak   878 spectrum    1 weight  0.11000E+01 volume  0.44972E-03 ppm1      8.135 ppm2      2.082 CV     1
 ASSI {  881}
   (( segid "alk1" and resid 69   and name HN  ))
   (( segid "alk1" and resid 68   and name HN  ))
      3.800     1.800     1.800 peak   881 spectrum    1 weight  0.11000E+01 volume  0.58683E-03 ppm1      8.461 ppm2      7.800 CV     1
 ASSI {  882}
   (( segid "alk1" and resid 69   and name HN  ))
   (( segid "alk1" and resid 70   and name HN  ))
      2.900     1.100     1.100 peak   882 spectrum    1 weight  0.11000E+01 volume  0.21110E-02 ppm1      8.455 ppm2      8.112 CV     1
 ASSI {  883}
   (( segid "alk1" and resid 69   and name HN  ))
   (( segid "alk1" and resid 38   and name HB2 ))
      5.700     4.000     0.300 peak   883 spectrum    1 weight  0.11000E+01 volume  0.10852E-03 ppm1      8.459 ppm2      1.446 CV     1
 ASSI {  884}
   (( segid "alk1" and resid 69   and name HN  ))
   (  segid "alk1" and resid 86   and name HD1%)
      3.700     1.700     1.700 peak   884 spectrum    1 weight  0.11000E+01 volume  0.64460E-03 ppm1      8.459 ppm2      0.765 CV     1
 OR {  884}
   (( segid "alk1" and resid 69   and name HN  ))
   (  segid "alk1" and resid 86   and name HD2%)
 ASSI {  885}
   (( segid "alk1" and resid 69   and name HN  ))
   (( segid "alk1" and resid 38   and name HB1 ))
      5.000     3.100     1.000 peak   885 spectrum    1 weight  0.11000E+01 volume  0.80383E-04 ppm1      8.462 ppm2      1.684 CV     1
 ASSI {  886}
   (( segid "alk1" and resid 69   and name HN  ))
   (( segid "alk1" and resid 70   and name HB1 ))
      5.800     4.200     0.200 peak   886 spectrum    1 weight  0.11000E+01 volume  0.63745E-04 ppm1      8.457 ppm2      3.330 CV     1
 ASSI {  887}
   (( segid "alk1" and resid 69   and name HN  ))
   (( segid "alk1" and resid 69   and name HD21))
      5.900     4.400     0.100 peak   887 spectrum    1 weight  0.11000E+01 volume  0.59917E-04 ppm1      8.458 ppm2      6.900 CV     1
 ASSI {  888}
   (( segid "alk1" and resid 69   and name HN  ))
   (( segid "alk1" and resid 69   and name HD22))
      6.000     5.500     0.000 peak   888 spectrum    1 weight  0.11000E+01 volume  0.39578E-04 ppm1      8.450 ppm2      7.542 CV     1
 ASSI {  889}
   (( segid "alk1" and resid 69   and name HN  ))
   (  segid "alk1" and resid 39   and name HG2%)
      4.100     2.100     1.900 peak   889 spectrum    1 weight  0.11000E+01 volume  0.64671E-04 ppm1      8.459 ppm2      0.566 CV     1
 ASSI {  890}
   (( segid "alk1" and resid 71   and name HN  ))
   (( segid "alk1" and resid 38   and name HN  ))
      3.000     3.000     3.000 peak   890 spectrum    1 weight  0.11000E+01 volume  0.42682E-03 ppm1      9.068 ppm2      8.448 CV     1
 ASSI {  891}
   (( segid "alk1" and resid 71   and name HN  ))
   (( segid "alk1" and resid 35   and name HA  ))
      4.500     2.500     1.500 peak   891 spectrum    1 weight  0.11000E+01 volume  0.36165E-03 ppm1      9.067 ppm2      5.918 CV     1
 ASSI {  892}
   (( segid "alk1" and resid 71   and name HN  ))
   (( segid "alk1" and resid 35   and name HB  ))
      4.300     2.300     1.700 peak   892 spectrum    1 weight  0.11000E+01 volume  0.22726E-03 ppm1      9.066 ppm2      4.021 CV     1
 ASSI {  894}
   (( segid "alk1" and resid 71   and name HN  ))
   (  segid "alk1" and resid 36   and name HG1%)
      4.600     2.700     1.400 peak   894 spectrum    1 weight  0.11000E+01 volume  0.34030E-03 ppm1      9.071 ppm2      1.131 CV     1
 ASSI {  895}
   (( segid "alk1" and resid 71   and name HN  ))
   (  segid "alk1" and resid 35   and name HG2%)
      4.600     2.700     1.400 peak   895 spectrum    1 weight  0.11000E+01 volume  0.24122E-03 ppm1      9.066 ppm2      1.240 CV     1
 ASSI {  896}
   (( segid "alk1" and resid 71   and name HN  ))
   (( segid "alk1" and resid 84   and name HG  ))
      4.900     3.100     1.100 peak   896 spectrum    1 weight  0.11000E+01 volume  0.23766E-03 ppm1      9.069 ppm2      1.425 CV     1
 ASSI {  898}
   (( segid "alk1" and resid 71   and name HN  ))
   (( segid "alk1" and resid 37   and name HB  ))
      4.300     2.300     1.700 peak   898 spectrum    1 weight  0.11000E+01 volume  0.54101E-04 ppm1      9.078 ppm2      1.837 CV     1
 ASSI {  903}
   (( segid "alk1" and resid 72   and name HN  ))
   (  segid "alk1" and resid 71   and name HD% )
      3.200     1.300     1.300 peak   903 spectrum    1 weight  0.11000E+01 volume  0.12234E-02 ppm1      7.903 ppm2      6.860 CV     1
 ASSI {  904}
   (( segid "alk1" and resid 72   and name HN  ))
   (  segid "alk1" and resid 71   and name HE% )
      4.200     2.200     1.800 peak   904 spectrum    1 weight  0.11000E+01 volume  0.33990E-03 ppm1      7.906 ppm2      6.577 CV     1
 ASSI {  907}
   (( segid "alk1" and resid 73   and name HN  ))
   (  segid "alk1" and resid 71   and name HE% )
      4.200     2.200     1.800 peak   907 spectrum    1 weight  0.11000E+01 volume  0.36236E-03 ppm1      8.847 ppm2      6.576 CV     1
 ASSI {  908}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 74   and name HA  ))
      4.100     2.100     1.900 peak   908 spectrum    1 weight  0.11000E+01 volume  0.40336E-03 ppm1      8.847 ppm2      5.171 CV     1
 ASSI {  909}
   (( segid "alk1" and resid 73   and name HN  ))
   (  segid "alk1" and resid 35   and name HG2%)
      4.200     2.200     1.800 peak   909 spectrum    1 weight  0.11000E+01 volume  0.43239E-03 ppm1      8.846 ppm2      1.233 CV     1
 ASSI {  910}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 34   and name HN  ))
      2.800     0.900     0.900 peak   910 spectrum    1 weight  0.11000E+01 volume  0.20056E-02 ppm1      8.844 ppm2      9.311 CV     1
 ASSI {  911}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 72   and name HN  ))
      4.400     2.400     1.600 peak   911 spectrum    1 weight  0.11000E+01 volume  0.37382E-03 ppm1      8.842 ppm2      7.892 CV     1
 ASSI {  912}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 35   and name HB  ))
      4.300     2.300     1.700 peak   912 spectrum    1 weight  0.11000E+01 volume  0.54617E-04 ppm1      8.849 ppm2      4.025 CV     1
 ASSI {  913}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 33   and name HA  ))
      4.700     2.700     1.300 peak   913 spectrum    1 weight  0.11000E+01 volume  0.42951E-03 ppm1      8.842 ppm2      4.647 CV     1
 ASSI {  914}
   (( segid "alk1" and resid 73   and name HN  ))
   (  segid "alk1" and resid 71   and name HD% )
      4.500     2.600     1.500 peak   914 spectrum    1 weight  0.11000E+01 volume  0.19772E-03 ppm1      8.840 ppm2      6.863 CV     1
 ASSI {  917}
   (( segid "alk1" and resid 71   and name HN  ))
   (( segid "alk1" and resid 72   and name HN  ))
      4.400     2.400     1.600 peak   917 spectrum    1 weight  0.11000E+01 volume  0.41268E-03 ppm1      9.069 ppm2      7.898 CV     1
 ASSI {  920}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 50   and name HA  ))
      4.100     2.100     1.900 peak   920 spectrum    1 weight  0.11000E+01 volume  0.51918E-03 ppm1      9.104 ppm2      5.217 CV     1
 ASSI {  924}
   (( segid "alk1" and resid 14   and name HN  ))
   (( segid "alk1" and resid 15   and name HN  ))
      3.800     1.800     1.800 peak   924 spectrum    1 weight  0.11000E+01 volume  0.11704E-02 ppm1      8.020 ppm2      9.113 CV     1
 ASSI {  925}
   (( segid "alk1" and resid 24   and name HN  ))
   (( segid "alk1" and resid 22   and name HB2 ))
      6.000     5.100     0.000 peak   925 spectrum    1 weight  0.11000E+01 volume  0.93551E-04 ppm1      7.303 ppm2      1.464 CV     1
 ASSI {  926}
   (( segid "alk1" and resid 24   and name HN  ))
   (( segid "alk1" and resid 22   and name HB1 ))
      6.000     6.000     0.000 peak   926 spectrum    1 weight  0.11000E+01 volume  0.10382E-03 ppm1      7.306 ppm2      2.297 CV     1
 ASSI {  927}
   (( segid "alk1" and resid 24   and name HN  ))
   (( segid "alk1" and resid 19   and name HB1 ))
      4.300     2.300     1.700 peak   927 spectrum    1 weight  0.11000E+01 volume  0.37768E-03 ppm1      7.303 ppm2      3.802 CV     1
 ASSI {  930}
   (( segid "alk1" and resid 24   and name HN  ))
   (( segid "alk1" and resid 51   and name HA1 ))
      4.400     2.500     1.600 peak   930 spectrum    1 weight  0.11000E+01 volume  0.63940E-03 ppm1      7.303 ppm2      4.485 CV     1
 ASSI {  931}
   (( segid "alk1" and resid 24   and name HN  ))
   (( segid "alk1" and resid 23   and name HE1 ))
      6.000     6.000     0.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.48472E-04 ppm1      7.309 ppm2      8.054 CV     1
 ASSI {  932}
   (( segid "alk1" and resid 24   and name HN  ))
   (( segid "alk1" and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   932 spectrum    1 weight  0.11000E+01 volume  0.19593E-02 ppm1      7.303 ppm2      7.894 CV     1
 ASSI {  941}
   (( segid "alk1" and resid 24   and name HN  ))
   (( segid "alk1" and resid 22   and name HG1 ))
      6.000     6.000     0.000 peak   941 spectrum    1 weight  0.11000E+01 volume  0.10183E-03 ppm1      7.302 ppm2      1.719 CV     1
 ASSI {  943}
   (( segid "alk1" and resid 26   and name HN  ))
   (( segid "alk1" and resid 25   and name HD1 ))
      2.900     2.900     3.100 peak   943 spectrum    1 weight  0.11000E+01 volume  0.55800E-03 ppm1      7.768 ppm2      1.554 CV     1
 OR {  943}
   (( segid "alk1" and resid 26   and name HN  ))
   (( segid "alk1" and resid 25   and name HD2 ))
 ASSI {  945}
   (( segid "alk1" and resid 26   and name HN  ))
   (( segid "alk1" and resid 27   and name HB2 ))
      5.600     3.900     0.400 peak   945 spectrum    1 weight  0.11000E+01 volume  0.18410E-03 ppm1      7.770 ppm2      2.116 CV     1
 ASSI {  949}
   (( segid "alk1" and resid 26   and name HN  ))
   (( segid "alk1" and resid 27   and name HA  ))
      3.400     1.500     1.500 peak   949 spectrum    1 weight  0.11000E+01 volume  0.11540E-02 ppm1      7.770 ppm2      4.819 CV     1
 ASSI {  950}
   (( segid "alk1" and resid 26   and name HN  ))
   (( segid "alk1" and resid 19   and name HA  ))
      4.900     3.000     1.100 peak   950 spectrum    1 weight  0.11000E+01 volume  0.18593E-03 ppm1      7.773 ppm2      5.014 CV     1
 ASSI {  953}
   (( segid "alk1" and resid 26   and name HN  ))
   (( segid "alk1" and resid 24   and name HN  ))
      3.200     1.300     1.300 peak   953 spectrum    1 weight  0.11000E+01 volume  0.16679E-02 ppm1      7.770 ppm2      7.298 CV     1
 ASSI {  954}
   (( segid "alk1" and resid 28   and name HN  ))
   (  segid "alk1" and resid 16   and name HG2%)
      4.200     2.200     1.800 peak   954 spectrum    1 weight  0.11000E+01 volume  0.51151E-03 ppm1      7.599 ppm2      1.167 CV     1
 ASSI {  955}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 29   and name HB1 ))
      4.900     3.000     1.100 peak   955 spectrum    1 weight  0.11000E+01 volume  0.72304E-04 ppm1      7.601 ppm2      2.797 CV     1
 ASSI {  956}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 24   and name HB2 ))
      5.700     4.000     0.300 peak   956 spectrum    1 weight  0.11000E+01 volume  0.49327E-04 ppm1      7.600 ppm2      3.053 CV     1
 ASSI {  957}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 18   and name HA  ))
      4.800     2.900     1.200 peak   957 spectrum    1 weight  0.11000E+01 volume  0.34620E-03 ppm1      7.595 ppm2      4.002 CV     1
 ASSI {  961}
   (( segid "alk1" and resid 29   and name HN  ))
   (  segid "alk1" and resid 77   and name HD2%)
      4.300     2.400     1.700 peak   961 spectrum    1 weight  0.11000E+01 volume  0.48204E-04 ppm1      8.875 ppm2      0.536 CV     1
 ASSI {  962}
   (( segid "alk1" and resid 30   and name HN  ))
   (  segid "alk1" and resid 16   and name HG2%)
      5.500     3.800     0.500 peak   962 spectrum    1 weight  0.11000E+01 volume  0.78821E-04 ppm1      8.487 ppm2      1.162 CV     1
 ASSI {  963}
   (( segid "alk1" and resid 31   and name HN  ))
   (  segid "alk1" and resid 15   and name HG1%)
      3.400     1.500     1.500 peak   963 spectrum    1 weight  0.11000E+01 volume  0.16330E-02 ppm1      8.867 ppm2      0.779 CV     1
 ASSI {  965}
   (( segid "alk1" and resid 31   and name HN  ))
   (( segid "alk1" and resid 29   and name HB2 ))
      4.800     2.800     1.200 peak   965 spectrum    1 weight  0.11000E+01 volume  0.15674E-03 ppm1      8.865 ppm2      3.457 CV     1
 ASSI {  966}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 52   and name HB1 ))
      4.400     2.500     1.600 peak   966 spectrum    1 weight  0.11000E+01 volume  0.42314E-03 ppm1      7.740 ppm2      2.902 CV     1
 ASSI {  967}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 54   and name HB2 ))
      6.000     4.600     0.000 peak   967 spectrum    1 weight  0.11000E+01 volume  0.78412E-04 ppm1      7.735 ppm2      2.347 CV     1
 ASSI {  970}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 33   and name HN  ))
      2.000     0.500     0.500 peak   970 spectrum    1 weight  0.11000E+01 volume  0.81171E-02 ppm1      7.734 ppm2      7.824 CV     1
 ASSI {  973}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 31   and name HN  ))
      3.600     1.700     1.700 peak   973 spectrum    1 weight  0.11000E+01 volume  0.61546E-03 ppm1      7.734 ppm2      8.871 CV     1
 ASSI {  974}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 14   and name HA  ))
      2.700     2.700     3.300 peak   974 spectrum    1 weight  0.11000E+01 volume  0.76253E-03 ppm1      7.833 ppm2      4.532 CV     1
 ASSI {  976}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 31   and name HN  ))
      4.600     2.600     1.400 peak   976 spectrum    1 weight  0.11000E+01 volume  0.27900E-03 ppm1      7.830 ppm2      8.879 CV     1
 ASSI {  977}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 76   and name HA  ))
      4.600     2.600     1.400 peak   977 spectrum    1 weight  0.11000E+01 volume  0.41590E-03 ppm1      9.306 ppm2      4.545 CV     1
 ASSI {  979}
   (( segid "alk1" and resid 36   and name HN  ))
   (( segid "alk1" and resid 71   and name HB1 ))
      2.900     1.100     1.100 peak   979 spectrum    1 weight  0.11000E+01 volume  0.11949E-02 ppm1      8.843 ppm2      2.954 CV     1
 ASSI {  980}
   (( segid "alk1" and resid 36   and name HN  ))
   (( segid "alk1" and resid 71   and name HB2 ))
      5.100     3.200     0.900 peak   980 spectrum    1 weight  0.11000E+01 volume  0.31351E-03 ppm1      8.841 ppm2      2.836 CV     1
 ASSI {  981}
   (( segid "alk1" and resid 36   and name HN  ))
   (( segid "alk1" and resid 71   and name HA  ))
      5.100     3.300     0.900 peak   981 spectrum    1 weight  0.11000E+01 volume  0.12799E-03 ppm1      8.837 ppm2      4.922 CV     1
 ASSI {  982}
   (( segid "alk1" and resid 36   and name HN  ))
   (  segid "alk1" and resid 71   and name HE% )
      6.000     4.700     0.000 peak   982 spectrum    1 weight  0.11000E+01 volume  0.73632E-04 ppm1      8.838 ppm2      6.567 CV     1
 ASSI {  983}
   (( segid "alk1" and resid 36   and name HN  ))
   (( segid "alk1" and resid 23   and name HE1 ))
      5.600     4.000     0.400 peak   983 spectrum    1 weight  0.10000E+01 volume  0.60906E-04 ppm1      8.847 ppm2      8.085 CV     1
 ASSI {  984}
   (( segid "alk1" and resid 36   and name HN  ))
   (( segid "alk1" and resid 51   and name HN  ))
      5.300     3.500     0.700 peak   984 spectrum    1 weight  0.11000E+01 volume  0.81868E-04 ppm1      8.846 ppm2      8.204 CV     1
 ASSI {  987}
   (( segid "alk1" and resid 40   and name HN  ))
   (( segid "alk1" and resid 38   and name HA  ))
      6.000     5.500     0.000 peak   987 spectrum    1 weight  0.11000E+01 volume  0.42572E-04 ppm1      8.670 ppm2      4.891 CV     1
 ASSI {  991}
   (( segid "alk1" and resid 41   and name HN  ))
   (( segid "alk1" and resid 42   and name HA  ))
      3.900     1.900     1.900 peak   991 spectrum    1 weight  0.11000E+01 volume  0.57061E-03 ppm1      8.460 ppm2      4.038 CV     1
 ASSI {  993}
   (( segid "alk1" and resid 44   and name HN  ))
   (( segid "alk1" and resid 45   and name HB2 ))
      4.600     2.700     1.400 peak   993 spectrum    1 weight  0.11000E+01 volume  0.29191E-03 ppm1      7.904 ppm2      3.227 CV     1
 ASSI {  994}
   (( segid "alk1" and resid 44   and name HN  ))
   (( segid "alk1" and resid 41   and name HG1 ))
      4.400     2.500     1.600 peak   994 spectrum    1 weight  0.11000E+01 volume  0.29200E-03 ppm1      7.909 ppm2      2.163 CV     1
 OR {  994}
   (( segid "alk1" and resid 44   and name HN  ))
   (( segid "alk1" and resid 41   and name HG2 ))
 ASSI {  995}
   (( segid "alk1" and resid 44   and name HN  ))
   (( segid "alk1" and resid 42   and name HG2 ))
      3.300     3.300     2.700 peak   995 spectrum    1 weight  0.11000E+01 volume  0.27203E-03 ppm1      7.906 ppm2      2.251 CV     1
 OR {  995}
   (( segid "alk1" and resid 44   and name HN  ))
   (( segid "alk1" and resid 42   and name HG1 ))
 ASSI {  996}
   (( segid "alk1" and resid 47   and name HN  ))
   (( segid "alk1" and resid 38   and name HG  ))
      3.600     1.600     1.600 peak   996 spectrum    1 weight  0.11000E+01 volume  0.86176E-03 ppm1      8.529 ppm2      1.396 CV     1
 ASSI {  997}
   (( segid "alk1" and resid 74   and name HN  ))
   (( segid "alk1" and resid 75   and name HN  ))
      2.600     0.800     0.800 peak   997 spectrum    1 weight  0.11000E+01 volume  0.28528E-02 ppm1      8.533 ppm2      7.643 CV     1
 ASSI {  998}
   (( segid "alk1" and resid 47   and name HN  ))
   (( segid "alk1" and resid 39   and name HN  ))
      2.600     0.900     0.900 peak   998 spectrum    1 weight  0.11000E+01 volume  0.27805E-02 ppm1      8.530 ppm2      8.883 CV     1
 ASSI {  999}
   (( segid "alk1" and resid 45   and name HN  ))
   (( segid "alk1" and resid 44   and name HG2 ))
      3.800     1.800     1.800 peak   999 spectrum    1 weight  0.11000E+01 volume  0.51777E-03 ppm1      8.513 ppm2      1.520 CV     1
 OR {  999}
   (( segid "alk1" and resid 45   and name HN  ))
   (( segid "alk1" and resid 44   and name HG1 ))
 ASSI { 1000}
   (( segid "alk1" and resid 45   and name HN  ))
   (( segid "alk1" and resid 44   and name HB2 ))
      3.200     1.200     1.200 peak  1000 spectrum    1 weight  0.11000E+01 volume  0.14636E-02 ppm1      8.514 ppm2      1.688 CV     1
 ASSI { 1001}
   (( segid "alk1" and resid 45   and name HN  ))
   (( segid "alk1" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1001 spectrum    1 weight  0.11000E+01 volume  0.26025E-02 ppm1      8.516 ppm2      4.847 CV     1
 ASSI { 1002}
   (( segid "alk1" and resid 45   and name HN  ))
   (( segid "alk1" and resid 44   and name HN  ))
      3.700     1.700     1.700 peak  1002 spectrum    1 weight  0.11000E+01 volume  0.48958E-03 ppm1      8.515 ppm2      7.903 CV     1
 ASSI { 1003}
   (( segid "alk1" and resid 45   and name HN  ))
   (( segid "alk1" and resid 46   and name HD1 ))
      4.700     2.800     1.300 peak  1003 spectrum    1 weight  0.11000E+01 volume  0.94292E-04 ppm1      8.514 ppm2      3.849 CV     1
 ASSI { 1004}
   (( segid "alk1" and resid 45   and name HN  ))
   (( segid "alk1" and resid 47   and name HG2 ))
      5.300     3.500     0.700 peak  1004 spectrum    1 weight  0.11000E+01 volume  0.72706E-04 ppm1      8.508 ppm2      2.346 CV     1
 OR { 1004}
   (( segid "alk1" and resid 45   and name HN  ))
   (( segid "alk1" and resid 47   and name HG1 ))
 ASSI { 1005}
   (( segid "alk1" and resid 50   and name HN  ))
   (( segid "alk1" and resid 20   and name HA  ))
      4.400     4.400     1.600 peak  1005 spectrum    1 weight  0.11000E+01 volume  0.43671E-03 ppm1      8.849 ppm2      4.506 CV     1
 ASSI { 1006}
   (( segid "alk1" and resid 50   and name HN  ))
   (( segid "alk1" and resid 49   and name HD2 ))
      4.800     2.900     1.200 peak  1006 spectrum    1 weight  0.11000E+01 volume  0.48167E-03 ppm1      8.846 ppm2      7.014 CV     1
 ASSI { 1010}
   (( segid "alk1" and resid 52   and name HN  ))
   (( segid "alk1" and resid 34   and name HA  ))
      4.600     2.700     1.400 peak  1010 spectrum    1 weight  0.11000E+01 volume  0.22225E-03 ppm1      8.320 ppm2      5.905 CV     1
 ASSI { 1012}
   (( segid "alk1" and resid 52   and name HN  ))
   (( segid "alk1" and resid 29   and name HB2 ))
      4.500     2.600     1.500 peak  1012 spectrum    1 weight  0.11000E+01 volume  0.18920E-03 ppm1      8.323 ppm2      3.469 CV     1
 ASSI { 1017}
   (( segid "alk1" and resid 53   and name HN  ))
   (( segid "alk1" and resid 32   and name HN  ))
      3.700     1.800     1.800 peak  1017 spectrum    1 weight  0.11000E+01 volume  0.47114E-03 ppm1      8.686 ppm2      7.736 CV     1
 ASSI { 1018}
   (( segid "alk1" and resid 53   and name HN  ))
   (  segid "alk1" and resid 32   and name HB% )
      4.700     2.800     1.300 peak  1018 spectrum    1 weight  0.11000E+01 volume  0.21757E-03 ppm1      8.683 ppm2      1.491 CV     1
 ASSI { 1021}
   (( segid "alk1" and resid 54   and name HN  ))
   (  segid "alk1" and resid 32   and name HB% )
      5.300     3.500     0.700 peak  1021 spectrum    1 weight  0.11000E+01 volume  0.82331E-04 ppm1      8.104 ppm2      1.510 CV     1
 ASSI { 1022}
   (( segid "alk1" and resid 54   and name HN  ))
   (( segid "alk1" and resid 54   and name HB1 ))
      4.100     2.100     1.900 peak  1022 spectrum    1 weight  0.11000E+01 volume  0.60453E-03 ppm1      8.106 ppm2      2.479 CV     1
 ASSI { 1023}
   (( segid "alk1" and resid 54   and name HN  ))
   (( segid "alk1" and resid 54   and name HB2 ))
      3.200     1.200     1.200 peak  1023 spectrum    1 weight  0.11000E+01 volume  0.12499E-02 ppm1      8.109 ppm2      2.353 CV     1
 ASSI { 1024}
   (( segid "alk1" and resid 54   and name HN  ))
   (( segid "alk1" and resid 55   and name HA  ))
      3.600     3.600     2.400 peak  1024 spectrum    1 weight  0.11000E+01 volume  0.89324E-03 ppm1      8.115 ppm2      4.682 CV     1
 ASSI { 1027}
   (( segid "alk1" and resid 54   and name HN  ))
   (( segid "alk1" and resid 54   and name HD21))
      4.900     3.000     1.100 peak  1027 spectrum    1 weight  0.11000E+01 volume  0.80249E-04 ppm1      8.105 ppm2      6.978 CV     1
 ASSI { 1028}
   (( segid "alk1" and resid 54   and name HN  ))
   (( segid "alk1" and resid 54   and name HD22))
      5.700     4.000     0.300 peak  1028 spectrum    1 weight  0.11000E+01 volume  0.82274E-04 ppm1      8.110 ppm2      7.430 CV     1
 ASSI { 1030}
   (( segid "alk1" and resid 58   and name HN  ))
   (( segid "alk1" and resid 57   and name HB2 ))
      4.400     2.400     1.600 peak  1030 spectrum    1 weight  0.11000E+01 volume  0.60718E-03 ppm1      9.760 ppm2      1.316 CV     1
 ASSI { 1031}
   (( segid "alk1" and resid 58   and name HN  ))
   (( segid "alk1" and resid 58   and name HG2 ))
      3.400     1.400     1.400 peak  1031 spectrum    1 weight  0.11000E+01 volume  0.69595E-03 ppm1      9.763 ppm2      2.464 CV     1
 ASSI { 1032}
   (( segid "alk1" and resid 58   and name HN  ))
   (( segid "alk1" and resid 57   and name HA  ))
      3.900     1.900     1.900 peak  1032 spectrum    1 weight  0.11000E+01 volume  0.42418E-03 ppm1      9.759 ppm2      3.330 CV     1
 ASSI { 1033}
   (( segid "alk1" and resid 58   and name HN  ))
   (( segid "alk1" and resid 56   and name HB2 ))
      6.000     5.000     0.000 peak  1033 spectrum    1 weight  0.11000E+01 volume  0.51127E-04 ppm1      9.758 ppm2      3.146 CV     1
 ASSI { 1034}
   (( segid "alk1" and resid 58   and name HN  ))
   (( segid "alk1" and resid 56   and name HA  ))
      3.600     1.600     1.600 peak  1034 spectrum    1 weight  0.11000E+01 volume  0.72750E-03 ppm1      9.758 ppm2      4.992 CV     1
 ASSI { 1036}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 58   and name HN  ))
      2.900     1.000     1.000 peak  1036 spectrum    1 weight  0.11000E+01 volume  0.18169E-02 ppm1      7.344 ppm2      9.761 CV     1
 ASSI { 1043}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 70   and name HD2 ))
      5.000     5.000     1.000 peak  1043 spectrum    1 weight  0.11000E+01 volume  0.13388E-03 ppm1      7.346 ppm2      6.859 CV     1
 ASSI { 1044}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 56   and name HA  ))
      5.000     3.200     1.000 peak  1044 spectrum    1 weight  0.11000E+01 volume  0.12095E-03 ppm1      7.345 ppm2      4.989 CV     1
 ASSI { 1045}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 60   and name HA  ))
      6.000     4.800     0.000 peak  1045 spectrum    1 weight  0.11000E+01 volume  0.47004E-04 ppm1      7.345 ppm2      4.272 CV     1
 ASSI { 1046}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 56   and name HB1 ))
      3.700     1.700     1.700 peak  1046 spectrum    1 weight  0.11000E+01 volume  0.45488E-03 ppm1      7.344 ppm2      3.490 CV     1
 ASSI { 1047}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 57   and name HA  ))
      3.600     1.600     1.600 peak  1047 spectrum    1 weight  0.11000E+01 volume  0.54376E-03 ppm1      7.345 ppm2      3.329 CV     1
 ASSI { 1048}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 56   and name HB2 ))
      4.000     2.000     2.000 peak  1048 spectrum    1 weight  0.11000E+01 volume  0.63531E-03 ppm1      7.344 ppm2      3.149 CV     1
 ASSI { 1050}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 60   and name HB1 ))
      3.900     1.900     1.900 peak  1050 spectrum    1 weight  0.11000E+01 volume  0.50085E-03 ppm1      7.348 ppm2      2.815 CV     1
 OR { 1050}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 60   and name HB2 ))
 ASSI { 1051}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 58   and name HB2 ))
      3.700     1.700     1.700 peak  1051 spectrum    1 weight  0.11000E+01 volume  0.80310E-03 ppm1      7.346 ppm2      1.977 CV     1
 ASSI { 1053}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 70   and name HD2 ))
      4.300     2.300     1.700 peak  1053 spectrum    1 weight  0.11000E+01 volume  0.28432E-03 ppm1      7.638 ppm2      6.887 CV     1
 ASSI { 1054}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 58   and name HG1 ))
      3.800     1.800     1.800 peak  1054 spectrum    1 weight  0.11000E+01 volume  0.34325E-03 ppm1      7.637 ppm2      2.091 CV     1
 OR { 1054}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 58   and name HB1 ))
 ASSI { 1056}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 59   and name HG  ))
      3.900     1.900     1.900 peak  1056 spectrum    1 weight  0.11000E+01 volume  0.90534E-03 ppm1      7.636 ppm2      1.544 CV     1
 ASSI { 1057}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 57   and name HG1 ))
      4.700     2.700     1.300 peak  1057 spectrum    1 weight  0.11000E+01 volume  0.83685E-04 ppm1      7.637 ppm2      1.197 CV     1
 ASSI { 1058}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 59   and name HB1 ))
      3.900     1.900     1.900 peak  1058 spectrum    1 weight  0.11000E+01 volume  0.71664E-03 ppm1      7.635 ppm2      0.899 CV     1
 ASSI { 1060}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 33   and name HZ2 ))
      4.300     2.400     1.700 peak  1060 spectrum    1 weight  0.11000E+01 volume  0.26639E-03 ppm1      7.636 ppm2      7.024 CV     1
 ASSI { 1063}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 59   and name HN  ))
      2.700     0.900     0.900 peak  1063 spectrum    1 weight  0.11000E+01 volume  0.25534E-02 ppm1      7.635 ppm2      7.350 CV     1
 ASSI { 1065}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 61   and name HA  ))
      6.000     4.900     0.000 peak  1065 spectrum    1 weight  0.11000E+01 volume  0.77376E-04 ppm1      7.630 ppm2      4.509 CV     1
 ASSI { 1066}
   (( segid "alk1" and resid 61   and name HN  ))
   (( segid "alk1" and resid 62   and name HN  ))
      3.300     1.400     1.400 peak  1066 spectrum    1 weight  0.11000E+01 volume  0.93800E-03 ppm1      7.631 ppm2      8.134 CV     1
 ASSI { 1067}
   (( segid "alk1" and resid 61   and name HN  ))
   (( segid "alk1" and resid 60   and name HN  ))
      2.000     0.500     0.500 peak  1067 spectrum    1 weight  0.11000E+01 volume  0.14006E-01 ppm1      7.630 ppm2      7.631 CV     1
 ASSI { 1070}
   (( segid "alk1" and resid 61   and name HN  ))
   (( segid "alk1" and resid 60   and name HB2 ))
      3.400     1.400     1.400 peak  1070 spectrum    1 weight  0.11000E+01 volume  0.13747E-02 ppm1      7.631 ppm2      2.815 CV     1
 OR { 1070}
   (( segid "alk1" and resid 61   and name HN  ))
   (( segid "alk1" and resid 60   and name HB1 ))
 ASSI { 1072}
   (( segid "alk1" and resid 62   and name HN  ))
   (( segid "alk1" and resid 61   and name HG2 ))
      3.800     1.800     1.800 peak  1072 spectrum    1 weight  0.11000E+01 volume  0.56618E-03 ppm1      8.139 ppm2      1.594 CV     1
 OR { 1072}
   (( segid "alk1" and resid 62   and name HN  ))
   (( segid "alk1" and resid 61   and name HG1 ))
 ASSI { 1073}
   (( segid "alk1" and resid 62   and name HN  ))
   (  segid "alk1" and resid 68   and name HG2%)
      5.000     3.100     1.000 peak  1073 spectrum    1 weight  0.11000E+01 volume  0.69123E-04 ppm1      8.140 ppm2      0.979 CV     1
 OR { 1073}
   (( segid "alk1" and resid 62   and name HN  ))
   (  segid "alk1" and resid 68   and name HG1%)
 ASSI { 1074}
   (( segid "alk1" and resid 62   and name HN  ))
   (( segid "alk1" and resid 61   and name HB1 ))
      3.400     3.400     2.600 peak  1074 spectrum    1 weight  0.11000E+01 volume  0.10645E-02 ppm1      8.141 ppm2      1.746 CV     1
 ASSI { 1077}
   (( segid "alk1" and resid 63   and name HN  ))
   (  segid "alk1" and resid 68   and name HG2%)
      4.200     2.200     1.800 peak  1077 spectrum    1 weight  0.11000E+01 volume  0.29826E-03 ppm1      8.216 ppm2      0.963 CV     1
 OR { 1077}
   (( segid "alk1" and resid 63   and name HN  ))
   (  segid "alk1" and resid 68   and name HG1%)
 ASSI { 1078}
   (( segid "alk1" and resid 63   and name HN  ))
   (  segid "alk1" and resid 65   and name HG2%)
      5.400     3.600     0.600 peak  1078 spectrum    1 weight  0.11000E+01 volume  0.76558E-04 ppm1      8.220 ppm2      1.213 CV     1
 ASSI { 1079}
   (( segid "alk1" and resid 63   and name HN  ))
   (( segid "alk1" and resid 63   and name HD2 ))
      4.500     2.500     1.500 peak  1079 spectrum    1 weight  0.11000E+01 volume  0.32423E-03 ppm1      8.220 ppm2      3.210 CV     1
 OR { 1079}
   (( segid "alk1" and resid 63   and name HN  ))
   (( segid "alk1" and resid 63   and name HD1 ))
 ASSI { 1080}
   (( segid "alk1" and resid 63   and name HN  ))
   (( segid "alk1" and resid 64   and name HD1 ))
      4.500     2.600     1.500 peak  1080 spectrum    1 weight  0.11000E+01 volume  0.44318E-03 ppm1      8.217 ppm2      3.703 CV     1
 ASSI { 1082}
   (( segid "alk1" and resid 65   and name HN  ))
   (  segid "alk1" and resid 68   and name HG2%)
      3.800     1.800     1.800 peak  1082 spectrum    1 weight  0.11000E+01 volume  0.54225E-03 ppm1      7.942 ppm2      0.966 CV     1
 OR { 1082}
   (( segid "alk1" and resid 65   and name HN  ))
   (  segid "alk1" and resid 68   and name HG1%)
 ASSI { 1083}
   (( segid "alk1" and resid 65   and name HN  ))
   (( segid "alk1" and resid 63   and name HB2 ))
      4.000     2.000     2.000 peak  1083 spectrum    1 weight  0.11000E+01 volume  0.35642E-03 ppm1      7.940 ppm2      1.703 CV     1
 ASSI { 1084}
   (( segid "alk1" and resid 65   and name HN  ))
   (( segid "alk1" and resid 63   and name HB1 ))
      3.800     1.800     1.800 peak  1084 spectrum    1 weight  0.11000E+01 volume  0.41472E-03 ppm1      7.943 ppm2      1.873 CV     1
 ASSI { 1085}
   (( segid "alk1" and resid 65   and name HN  ))
   (( segid "alk1" and resid 64   and name HB1 ))
      3.900     1.900     1.900 peak  1085 spectrum    1 weight  0.11000E+01 volume  0.84171E-03 ppm1      7.941 ppm2      2.163 CV     1
 ASSI { 1086}
   (( segid "alk1" and resid 65   and name HN  ))
   (( segid "alk1" and resid 68   and name HB  ))
      3.200     3.200     2.800 peak  1086 spectrum    1 weight  0.11000E+01 volume  0.13745E-02 ppm1      7.941 ppm2      2.062 CV     1
 ASSI { 1087}
   (( segid "alk1" and resid 65   and name HN  ))
   (( segid "alk1" and resid 64   and name HD1 ))
      5.700     4.100     0.300 peak  1087 spectrum    1 weight  0.11000E+01 volume  0.64235E-04 ppm1      7.946 ppm2      3.704 CV     1
 ASSI { 1088}
   (( segid "alk1" and resid 65   and name HN  ))
   (( segid "alk1" and resid 64   and name HD2 ))
      5.200     3.400     0.800 peak  1088 spectrum    1 weight  0.11000E+01 volume  0.62938E-04 ppm1      7.944 ppm2      3.833 CV     1
 ASSI { 1090}
   (( segid "alk1" and resid 65   and name HN  ))
   (( segid "alk1" and resid 68   and name HN  ))
      3.800     1.800     1.800 peak  1090 spectrum    1 weight  0.11000E+01 volume  0.55777E-03 ppm1      7.939 ppm2      7.803 CV     1
 ASSI { 1091}
   (( segid "alk1" and resid 65   and name HN  ))
   (( segid "alk1" and resid 66   and name HN  ))
      3.200     1.300     1.300 peak  1091 spectrum    1 weight  0.11000E+01 volume  0.12821E-02 ppm1      7.941 ppm2      8.337 CV     1
 ASSI { 1092}
   (( segid "alk1" and resid 65   and name HN  ))
   (  segid "alk1" and resid 67   and name HE% )
      5.700     4.100     0.300 peak  1092 spectrum    1 weight  0.11000E+01 volume  0.50282E-04 ppm1      7.943 ppm2      7.310 CV     1
 ASSI { 1099}
   (( segid "alk1" and resid 68   and name HN  ))
   (( segid "alk1" and resid 66   and name HB1 ))
      3.400     1.400     1.400 peak  1099 spectrum    1 weight  0.11000E+01 volume  0.15822E-02 ppm1      7.792 ppm2      1.802 CV     1
 ASSI { 1101}
   (( segid "alk1" and resid 80   and name HN  ))
   (  segid "alk1" and resid 77   and name HD2%)
      4.300     2.300     1.700 peak  1101 spectrum    1 weight  0.11000E+01 volume  0.63420E-03 ppm1      7.771 ppm2      0.546 CV     1
 ASSI { 1102}
   (( segid "alk1" and resid 80   and name HN  ))
   (  segid "alk1" and resid 77   and name HD1%)
      5.700     4.000     0.300 peak  1102 spectrum    1 weight  0.11000E+01 volume  0.14247E-03 ppm1      7.770 ppm2      0.642 CV     1
 ASSI { 1103}
   (( segid "alk1" and resid 68   and name HN  ))
   (  segid "alk1" and resid 65   and name HG2%)
      2.600     2.600     3.400 peak  1103 spectrum    1 weight  0.11000E+01 volume  0.10661E-02 ppm1      7.772 ppm2      1.217 CV     1
 ASSI { 1104}
   (( segid "alk1" and resid 68   and name HN  ))
   (( segid "alk1" and resid 66   and name HG1 ))
      2.800     2.800     3.200 peak  1104 spectrum    1 weight  0.11000E+01 volume  0.66085E-03 ppm1      7.788 ppm2      1.958 CV     1
 OR { 1104}
   (( segid "alk1" and resid 68   and name HN  ))
   (( segid "alk1" and resid 66   and name HG2 ))
 ASSI { 1105}
   (( segid "alk1" and resid 80   and name HN  ))
   (( segid "alk1" and resid 82   and name HN  ))
      4.500     2.500     1.500 peak  1105 spectrum    1 weight  0.11000E+01 volume  0.28539E-03 ppm1      7.769 ppm2      6.687 CV     1
 ASSI { 1107}
   (( segid "alk1" and resid 68   and name HN  ))
   (( segid "alk1" and resid 66   and name HN  ))
      2.900     1.000     1.000 peak  1107 spectrum    1 weight  0.11000E+01 volume  0.25586E-02 ppm1      7.790 ppm2      8.335 CV     1
 ASSI { 1108}
   (( segid "alk1" and resid 80   and name HN  ))
   (( segid "alk1" and resid 81   and name HN  ))
      2.300     0.600     0.600 peak  1108 spectrum    1 weight  0.11000E+01 volume  0.78878E-02 ppm1      7.769 ppm2      8.439 CV     1
 ASSI { 1109}
   (( segid "alk1" and resid 80   and name HN  ))
   (( segid "alk1" and resid 18   and name HN  ))
      3.800     1.800     1.800 peak  1109 spectrum    1 weight  0.11000E+01 volume  0.40373E-03 ppm1      7.772 ppm2      8.930 CV     1
 ASSI { 1110}
   (( segid "alk1" and resid 69   and name HN  ))
   (( segid "alk1" and resid 70   and name HA  ))
      5.700     4.000     0.300 peak  1110 spectrum    1 weight  0.11000E+01 volume  0.60514E-04 ppm1      8.462 ppm2      5.038 CV     1
 ASSI { 1111}
   (( segid "alk1" and resid 69   and name HN  ))
   (  segid "alk1" and resid 36   and name HG2%)
      4.000     2.000     2.000 peak  1111 spectrum    1 weight  0.11000E+01 volume  0.51613E-03 ppm1      8.459 ppm2      0.879 CV     1
 ASSI { 1116}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 76   and name HN  ))
      3.600     1.600     1.600 peak  1116 spectrum    1 weight  0.11000E+01 volume  0.11625E-02 ppm1      7.644 ppm2      8.294 CV     1
 ASSI { 1118}
   (( segid "alk1" and resid 40   and name HN  ))
   (  segid "alk1" and resid 67   and name HD% )
      5.400     3.700     0.600 peak  1118 spectrum    1 weight  0.11000E+01 volume  0.56038E-04 ppm1      8.669 ppm2      7.219 CV     1
 ASSI { 1119}
   (( segid "alk1" and resid 97   and name HN  ))
   (( segid "alk1" and resid 96   and name HB2 ))
      4.700     2.700     1.300 peak  1119 spectrum    1 weight  0.11000E+01 volume  0.12462E-03 ppm1      8.475 ppm2      2.274 CV     1
 ASSI { 1120}
   (( segid "alk1" and resid 79   and name HN  ))
   (  segid "alk1" and resid 77   and name HD2%)
      4.500     2.500     1.500 peak  1120 spectrum    1 weight  0.11000E+01 volume  0.57064E-03 ppm1      8.434 ppm2      0.541 CV     1
 ASSI { 1121}
   (( segid "alk1" and resid 79   and name HN  ))
   (  segid "alk1" and resid 82   and name HG1%)
      4.600     2.700     1.400 peak  1121 spectrum    1 weight  0.11000E+01 volume  0.39035E-03 ppm1      8.435 ppm2      0.805 CV     1
 ASSI { 1122}
   (( segid "alk1" and resid 79   and name HN  ))
   (  segid "alk1" and resid 36   and name HG1%)
      4.000     2.000     2.000 peak  1122 spectrum    1 weight  0.11000E+01 volume  0.73799E-03 ppm1      8.434 ppm2      1.137 CV     1
 ASSI { 1123}
   (( segid "alk1" and resid 79   and name HN  ))
   (( segid "alk1" and resid 77   and name HB1 ))
      4.300     2.400     1.700 peak  1123 spectrum    1 weight  0.11000E+01 volume  0.45901E-03 ppm1      8.429 ppm2      1.592 CV     1
 OR { 1123}
   (( segid "alk1" and resid 79   and name HN  ))
   (( segid "alk1" and resid 77   and name HB2 ))
 ASSI { 1124}
   (( segid "alk1" and resid 79   and name HN  ))
   (( segid "alk1" and resid 77   and name HN  ))
      4.300     2.300     1.700 peak  1124 spectrum    1 weight  0.11000E+01 volume  0.44908E-03 ppm1      8.434 ppm2      9.772 CV     1
 ASSI { 1125}
   (( segid "alk1" and resid 79   and name HN  ))
   (( segid "alk1" and resid 18   and name HN  ))
      3.300     1.300     1.300 peak  1125 spectrum    1 weight  0.11000E+01 volume  0.11558E-02 ppm1      8.435 ppm2      8.929 CV     1
 ASSI { 1126}
   (( segid "alk1" and resid 79   and name HN  ))
   (( segid "alk1" and resid 80   and name HN  ))
      2.400     0.700     0.700 peak  1126 spectrum    1 weight  0.11000E+01 volume  0.42166E-02 ppm1      8.433 ppm2      7.769 CV     1
 ASSI { 1127}
   (( segid "alk1" and resid 90   and name HN  ))
   (  segid "alk1" and resid 88   and name HB% )
      3.000     3.000     3.000 peak  1127 spectrum    1 weight  0.11000E+01 volume  0.45334E-03 ppm1      8.216 ppm2      1.347 CV     1
 ASSI { 1128}
   (( segid "alk1" and resid 90   and name HN  ))
   (( segid "alk1" and resid 92   and name HD2 ))
      4.500     2.500     1.500 peak  1128 spectrum    1 weight  0.11000E+01 volume  0.33705E-03 ppm1      8.220 ppm2      3.615 CV     1
 ASSI { 1129}
   (( segid "alk1" and resid 90   and name HN  ))
   (( segid "alk1" and resid 92   and name HD1 ))
      3.400     1.500     1.500 peak  1129 spectrum    1 weight  0.11000E+01 volume  0.65214E-03 ppm1      8.220 ppm2      3.787 CV     1
 ASSI { 1131}
   (( segid "alk1" and resid 85   and name HN  ))
   (( segid "alk1" and resid 83   and name HA  ))
      4.100     2.100     1.900 peak  1131 spectrum    1 weight  0.11000E+01 volume  0.49159E-03 ppm1      7.824 ppm2      4.850 CV     1
 ASSI { 1133}
   (( segid "alk1" and resid 85   and name HN  ))
   (( segid "alk1" and resid 84   and name HN  ))
      2.800     1.000     1.000 peak  1133 spectrum    1 weight  0.11000E+01 volume  0.26271E-02 ppm1      7.823 ppm2      9.620 CV     1
 ASSI { 1134}
   (( segid "alk1" and resid 85   and name HN  ))
   (  segid "alk1" and resid 36   and name HG2%)
      3.600     1.600     1.600 peak  1134 spectrum    1 weight  0.11000E+01 volume  0.14842E-03 ppm1      7.818 ppm2      0.899 CV     1
 ASSI { 1136}
   (( segid "alk1" and resid 85   and name HN  ))
   (( segid "alk1" and resid 83   and name HB1 ))
      4.400     2.500     1.600 peak  1136 spectrum    1 weight  0.11000E+01 volume  0.19142E-03 ppm1      7.822 ppm2      3.607 CV     1
 OR { 1136}
   (( segid "alk1" and resid 85   and name HN  ))
   (( segid "alk1" and resid 83   and name HB2 ))
 ASSI { 1137}
   (( segid "alk1" and resid 84   and name HN  ))
   (  segid "alk1" and resid 82   and name HG2%)
      5.400     3.700     0.600 peak  1137 spectrum    1 weight  0.11000E+01 volume  0.73377E-04 ppm1      9.621 ppm2      0.221 CV     1
 ASSI { 1140}
   (( segid "alk1" and resid 84   and name HN  ))
   (( segid "alk1" and resid 83   and name HB1 ))
      4.000     2.000     2.000 peak  1140 spectrum    1 weight  0.11000E+01 volume  0.72612E-03 ppm1      9.622 ppm2      3.618 CV     1
 ASSI { 1141}
   (( segid "alk1" and resid 84   and name HN  ))
   (( segid "alk1" and resid 85   and name HA  ))
      6.000     4.800     0.000 peak  1141 spectrum    1 weight  0.11000E+01 volume  0.38452E-04 ppm1      9.626 ppm2      3.948 CV     1
 ASSI { 1142}
   (( segid "alk1" and resid 84   and name HN  ))
   (  segid "alk1" and resid 84   and name HD2%)
      3.800     1.800     1.800 peak  1142 spectrum    1 weight  0.11000E+01 volume  0.48130E-03 ppm1      9.621 ppm2      0.571 CV     1
 ASSI { 1143}
   (( segid "alk1" and resid 84   and name HN  ))
   (  segid "alk1" and resid 36   and name HG2%)
      4.000     2.000     2.000 peak  1143 spectrum    1 weight  0.11000E+01 volume  0.43869E-03 ppm1      9.622 ppm2      0.900 CV     1
 ASSI { 1144}
   (( segid "alk1" and resid 84   and name HN  ))
   (  segid "alk1" and resid 84   and name HD1%)
      4.000     2.000     2.000 peak  1144 spectrum    1 weight  0.11000E+01 volume  0.47215E-03 ppm1      9.624 ppm2      0.692 CV     1
 ASSI { 1145}
   (( segid "alk1" and resid 84   and name HN  ))
   (( segid "alk1" and resid 48   and name HG2 ))
      3.900     1.900     1.900 peak  1145 spectrum    1 weight  0.11000E+01 volume  0.41476E-03 ppm1      9.627 ppm2      2.029 CV     1
 OR { 1145}
   (( segid "alk1" and resid 84   and name HN  ))
   (( segid "alk1" and resid 48   and name HG1 ))
 ASSI { 1146}
   (( segid "alk1" and resid 84   and name HN  ))
   (( segid "alk1" and resid 36   and name HB  ))
      4.100     2.100     1.900 peak  1146 spectrum    1 weight  0.11000E+01 volume  0.47285E-03 ppm1      9.621 ppm2      1.937 CV     1
 ASSI { 1147}
   (( segid "alk1" and resid 85   and name HN  ))
   (( segid "alk1" and resid 87   and name HB1 ))
      4.500     4.500     1.500 peak  1147 spectrum    1 weight  0.11000E+01 volume  0.22170E-03 ppm1      7.818 ppm2      1.825 CV     1
 ASSI { 1148}
   (( segid "alk1" and resid 82   and name HN  ))
   (( segid "alk1" and resid 81   and name HB2 ))
      4.100     2.100     1.900 peak  1148 spectrum    1 weight  0.11000E+01 volume  0.48093E-03 ppm1      6.693 ppm2      2.600 CV     1
 ASSI { 1149}
   (( segid "alk1" and resid 82   and name HN  ))
   (( segid "alk1" and resid 81   and name HB1 ))
      4.300     2.300     1.700 peak  1149 spectrum    1 weight  0.11000E+01 volume  0.45505E-03 ppm1      6.694 ppm2      2.746 CV     1
 ASSI { 1150}
   (( segid "alk1" and resid 82   and name HN  ))
   (( segid "alk1" and resid 50   and name HD1 ))
      3.400     1.400     1.400 peak  1150 spectrum    1 weight  0.11000E+01 volume  0.88067E-03 ppm1      6.694 ppm2      3.211 CV     1
 ASSI { 1151}
   (( segid "alk1" and resid 82   and name HN  ))
   (( segid "alk1" and resid 80   and name HA  ))
      3.900     1.900     1.900 peak  1151 spectrum    1 weight  0.11000E+01 volume  0.38167E-03 ppm1      6.692 ppm2      4.168 CV     1
 ASSI { 1152}
   (( segid "alk1" and resid 82   and name HN  ))
   (( segid "alk1" and resid 81   and name HN  ))
      2.700     0.900     0.900 peak  1152 spectrum    1 weight  0.11000E+01 volume  0.27570E-02 ppm1      6.694 ppm2      8.454 CV     1
 ASSI { 1153}
   (( segid "alk1" and resid 81   and name HN  ))
   (  segid "alk1" and resid 82   and name HG1%)
      4.500     2.600     1.500 peak  1153 spectrum    1 weight  0.11000E+01 volume  0.34154E-03 ppm1      8.458 ppm2      0.807 CV     1
 ASSI { 1154}
   (( segid "alk1" and resid 81   and name HN  ))
   (  segid "alk1" and resid 18   and name HG2%)
      4.300     2.300     1.700 peak  1154 spectrum    1 weight  0.11000E+01 volume  0.50359E-04 ppm1      8.459 ppm2      1.222 CV     1
 ASSI { 1155}
   (( segid "alk1" and resid 81   and name HN  ))
   (( segid "alk1" and resid 82   and name HB  ))
      4.500     2.600     1.500 peak  1155 spectrum    1 weight  0.11000E+01 volume  0.18120E-03 ppm1      8.453 ppm2      1.535 CV     1
 ASSI { 1159}
   (( segid "alk1" and resid 81   and name HN  ))
   (( segid "alk1" and resid 80   and name HB2 ))
      4.500     2.500     1.500 peak  1159 spectrum    1 weight  0.11000E+01 volume  0.52364E-03 ppm1      8.454 ppm2      3.392 CV     1
 ASSI { 1162}
   (( segid "alk1" and resid 79   and name HN  ))
   (( segid "alk1" and resid 17   and name HA  ))
      3.900     1.900     1.900 peak  1162 spectrum    1 weight  0.11000E+01 volume  0.52039E-03 ppm1      8.431 ppm2      4.890 CV     1
 ASSI { 1163}
   (( segid "alk1" and resid 78   and name HN  ))
   (( segid "alk1" and resid 77   and name HN  ))
      2.700     0.900     0.900 peak  1163 spectrum    1 weight  0.11000E+01 volume  0.20935E-02 ppm1      8.486 ppm2      9.772 CV     1
 ASSI { 1164}
   (( segid "alk1" and resid 78   and name HN  ))
   (( segid "alk1" and resid 75   and name HN  ))
      4.100     2.100     1.900 peak  1164 spectrum    1 weight  0.11000E+01 volume  0.48727E-03 ppm1      8.486 ppm2      7.643 CV     1
 ASSI { 1165}
   (( segid "alk1" and resid 78   and name HN  ))
   (( segid "alk1" and resid 17   and name HA  ))
      4.200     2.200     1.800 peak  1165 spectrum    1 weight  0.11000E+01 volume  0.44174E-03 ppm1      8.484 ppm2      4.886 CV     1
 ASSI { 1167}
   (( segid "alk1" and resid 78   and name HN  ))
   (( segid "alk1" and resid 80   and name HA  ))
      5.400     3.600     0.600 peak  1167 spectrum    1 weight  0.11000E+01 volume  0.13842E-03 ppm1      8.475 ppm2      4.155 CV     1
 ASSI { 1168}
   (( segid "alk1" and resid 78   and name HN  ))
   (( segid "alk1" and resid 77   and name HB2 ))
      3.700     1.800     1.800 peak  1168 spectrum    1 weight  0.11000E+01 volume  0.65780E-03 ppm1      8.485 ppm2      1.592 CV     1
 OR { 1168}
   (( segid "alk1" and resid 78   and name HN  ))
   (( segid "alk1" and resid 77   and name HB1 ))
 ASSI { 1169}
   (( segid "alk1" and resid 78   and name HN  ))
   (  segid "alk1" and resid 15   and name HG1%)
      4.100     2.100     1.900 peak  1169 spectrum    1 weight  0.11000E+01 volume  0.49776E-03 ppm1      8.485 ppm2      0.791 CV     1
 ASSI { 1170}
   (( segid "alk1" and resid 78   and name HN  ))
   (  segid "alk1" and resid 77   and name HD1%)
      5.400     3.700     0.600 peak  1170 spectrum    1 weight  0.11000E+01 volume  0.19522E-03 ppm1      8.485 ppm2      0.635 CV     1
 ASSI { 1171}
   (( segid "alk1" and resid 78   and name HN  ))
   (  segid "alk1" and resid 16   and name HG2%)
      4.000     2.000     2.000 peak  1171 spectrum    1 weight  0.11000E+01 volume  0.76112E-04 ppm1      8.490 ppm2      1.162 CV     1
 ASSI { 1172}
   (( segid "alk1" and resid 78   and name HN  ))
   (( segid "alk1" and resid 34   and name HB1 ))
      4.100     2.100     1.900 peak  1172 spectrum    1 weight  0.11000E+01 volume  0.47087E-03 ppm1      8.483 ppm2      3.189 CV     1
 ASSI { 1174}
   (( segid "alk1" and resid 77   and name HN  ))
   (  segid "alk1" and resid 16   and name HG2%)
      4.000     2.000     2.000 peak  1174 spectrum    1 weight  0.11000E+01 volume  0.49377E-03 ppm1      9.771 ppm2      1.165 CV     1
 ASSI { 1175}
   (( segid "alk1" and resid 77   and name HN  ))
   (( segid "alk1" and resid 16   and name HB  ))
      3.900     1.900     1.900 peak  1175 spectrum    1 weight  0.11000E+01 volume  0.48904E-03 ppm1      9.772 ppm2      4.146 CV     1
 ASSI { 1176}
   (( segid "alk1" and resid 77   and name HN  ))
   (( segid "alk1" and resid 17   and name HN  ))
      4.700     2.800     1.300 peak  1176 spectrum    1 weight  0.11000E+01 volume  0.17974E-03 ppm1      9.775 ppm2      9.139 CV     1
 ASSI { 1177}
   (( segid "alk1" and resid 77   and name HN  ))
   (( segid "alk1" and resid 78   and name HB2 ))
      4.800     2.800     1.200 peak  1177 spectrum    1 weight  0.11000E+01 volume  0.27758E-03 ppm1      9.776 ppm2      3.391 CV     1
 ASSI { 1178}
   (( segid "alk1" and resid 76   and name HN  ))
   (( segid "alk1" and resid 76   and name HD2 ))
      3.900     1.900     1.900 peak  1178 spectrum    1 weight  0.11000E+01 volume  0.41429E-03 ppm1      8.304 ppm2      7.033 CV     1
 ASSI { 1180}
   (( segid "alk1" and resid 76   and name HN  ))
   (( segid "alk1" and resid 16   and name HN  ))
      4.800     2.900     1.200 peak  1180 spectrum    1 weight  0.11000E+01 volume  0.25919E-03 ppm1      8.299 ppm2      8.909 CV     1
 ASSI { 1182}
   (( segid "alk1" and resid 76   and name HN  ))
   (( segid "alk1" and resid 15   and name HB  ))
      5.800     4.200     0.200 peak  1182 spectrum    1 weight  0.11000E+01 volume  0.13339E-03 ppm1      8.307 ppm2      1.848 CV     1
 ASSI { 1183}
   (( segid "alk1" and resid 76   and name HN  ))
   (  segid "alk1" and resid 77   and name HD2%)
      5.500     3.700     0.500 peak  1183 spectrum    1 weight  0.11000E+01 volume  0.14978E-03 ppm1      8.300 ppm2      0.539 CV     1
 ASSI { 1184}
   (( segid "alk1" and resid 75   and name HN  ))
   (  segid "alk1" and resid 15   and name HG1%)
      2.900     1.000     1.000 peak  1184 spectrum    1 weight  0.11000E+01 volume  0.18274E-02 ppm1      7.642 ppm2      0.789 CV     1
 ASSI { 1186}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 15   and name HB  ))
      5.900     4.400     0.100 peak  1186 spectrum    1 weight  0.11000E+01 volume  0.72512E-04 ppm1      7.642 ppm2      1.846 CV     1
 ASSI { 1187}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 76   and name HA  ))
      3.800     1.800     1.800 peak  1187 spectrum    1 weight  0.11000E+01 volume  0.63652E-03 ppm1      7.643 ppm2      4.558 CV     1
 ASSI { 1189}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 77   and name HN  ))
      5.700     4.000     0.300 peak  1189 spectrum    1 weight  0.11000E+01 volume  0.72006E-04 ppm1      7.644 ppm2      9.770 CV     1
 ASSI { 1190}
   (( segid "alk1" and resid 70   and name HN  ))
   (( segid "alk1" and resid 69   and name HB1 ))
      3.800     1.800     1.800 peak  1190 spectrum    1 weight  0.11000E+01 volume  0.91567E-03 ppm1      8.119 ppm2      2.832 CV     1
 ASSI { 1191}
   (( segid "alk1" and resid 70   and name HN  ))
   (  segid "alk1" and resid 37   and name HG1%)
      3.800     3.800     2.200 peak  1191 spectrum    1 weight  0.11000E+01 volume  0.62663E-03 ppm1      8.122 ppm2      0.700 CV     1
 ASSI { 1192}
   (( segid "alk1" and resid 70   and name HN  ))
   (( segid "alk1" and resid 70   and name HA  ))
      3.100     1.200     1.200 peak  1192 spectrum    1 weight  0.11000E+01 volume  0.10175E-02 ppm1      8.126 ppm2      5.052 CV     1
 ASSI { 1195}
   (( segid "alk1" and resid 70   and name HN  ))
   (( segid "alk1" and resid 61   and name HN  ))
      5.000     3.100     1.000 peak  1195 spectrum    1 weight  0.11000E+01 volume  0.12713E-03 ppm1      8.132 ppm2      7.640 CV     1
 ASSI { 1197}
   (( segid "alk1" and resid 70   and name HN  ))
   (( segid "alk1" and resid 71   and name HN  ))
      4.700     2.700     1.300 peak  1197 spectrum    1 weight  0.11000E+01 volume  0.25878E-03 ppm1      8.122 ppm2      9.059 CV     1
 ASSI { 1198}
   (( segid "alk1" and resid 47   and name HE22))
   (  segid "alk1" and resid 39   and name HG2%)
      5.900     4.400     0.100 peak  1198 spectrum    1 weight  0.11000E+01 volume  0.58931E-04 ppm1      7.565 ppm2      0.572 CV     1
 ASSI { 1199}
   (( segid "alk1" and resid 47   and name HE22))
   (( segid "alk1" and resid 45   and name HB1 ))
      3.300     3.300     2.700 peak  1199 spectrum    1 weight  0.11000E+01 volume  0.27006E-03 ppm1      7.565 ppm2      3.127 CV     1
 ASSI { 1201}
   (( segid "alk1" and resid 54   and name HD21))
   (( segid "alk1" and resid 31   and name HA2 ))
      4.800     2.900     1.200 peak  1201 spectrum    1 weight  0.11000E+01 volume  0.10490E-03 ppm1      6.957 ppm2      3.338 CV     1
 ASSI { 1202}
   (( segid "alk1" and resid 54   and name HD21))
   (( segid "alk1" and resid 54   and name HA  ))
      4.600     2.700     1.400 peak  1202 spectrum    1 weight  0.11000E+01 volume  0.95818E-04 ppm1      6.960 ppm2      4.045 CV     1
 ASSI { 1203}
   (( segid "alk1" and resid 54   and name HD21))
   (( segid "alk1" and resid 31   and name HA1 ))
      4.100     2.100     1.900 peak  1203 spectrum    1 weight  0.11000E+01 volume  0.21818E-03 ppm1      6.959 ppm2      4.421 CV     1
 ASSI { 1204}
   (( segid "alk1" and resid 54   and name HD21))
   (  segid "alk1" and resid 55   and name HD1%)
      5.600     3.900     0.400 peak  1204 spectrum    1 weight  0.11000E+01 volume  0.80266E-04 ppm1      6.962 ppm2      0.827 CV     1
 OR { 1204}
   (( segid "alk1" and resid 54   and name HD21))
   (  segid "alk1" and resid 55   and name HD2%)
 ASSI { 1205}
   (( segid "alk1" and resid 69   and name HD21))
   (  segid "alk1" and resid 84   and name HD2%)
      4.400     2.400     1.600 peak  1205 spectrum    1 weight  0.11000E+01 volume  0.15110E-03 ppm1      6.900 ppm2      0.567 CV     1
 ASSI { 1206}
   (( segid "alk1" and resid 69   and name HD21))
   (  segid "alk1" and resid 85   and name HG2%)
      4.100     2.100     1.900 peak  1206 spectrum    1 weight  0.11000E+01 volume  0.46544E-03 ppm1      6.903 ppm2      0.765 CV     1
 ASSI { 1207}
   (( segid "alk1" and resid 69   and name HD21))
   (( segid "alk1" and resid 84   and name HG  ))
      4.100     2.100     1.900 peak  1207 spectrum    1 weight  0.11000E+01 volume  0.22863E-03 ppm1      6.904 ppm2      1.412 CV     1
 ASSI { 1208}
   (( segid "alk1" and resid 69   and name HD21))
   (( segid "alk1" and resid 84   and name HB1 ))
      4.000     2.000     2.000 peak  1208 spectrum    1 weight  0.11000E+01 volume  0.29024E-03 ppm1      6.903 ppm2      1.542 CV     1
 OR { 1208}
   (( segid "alk1" and resid 69   and name HD21))
   (( segid "alk1" and resid 84   and name HB2 ))
 ASSI { 1209}
   (( segid "alk1" and resid 69   and name HD21))
   (( segid "alk1" and resid 87   and name HB2 ))
      4.300     4.300     1.700 peak  1209 spectrum    1 weight  0.11000E+01 volume  0.25315E-03 ppm1      6.905 ppm2      1.979 CV     1
 ASSI { 1210}
   (( segid "alk1" and resid 69   and name HD21))
   (( segid "alk1" and resid 69   and name HA  ))
      5.100     3.200     0.900 peak  1210 spectrum    1 weight  0.11000E+01 volume  0.19478E-03 ppm1      6.906 ppm2      4.903 CV     1
 ASSI { 1211}
   (( segid "alk1" and resid 33   and name HE1 ))
   (( segid "alk1" and resid 53   and name HN  ))
      4.700     2.700     1.300 peak  1211 spectrum    1 weight  0.11000E+01 volume  0.27362E-03 ppm1      9.881 ppm2      8.685 CV     1
 ASSI { 1214}
   (( segid "alk1" and resid 33   and name HE1 ))
   (( segid "alk1" and resid 72   and name HA  ))
      6.000     5.600     0.000 peak  1214 spectrum    1 weight  0.11000E+01 volume  0.49545E-04 ppm1      9.884 ppm2      5.803 CV     1
 ASSI { 1217}
   (( segid "alk1" and resid 33   and name HE1 ))
   (( segid "alk1" and resid 72   and name HB1 ))
      3.900     1.900     1.900 peak  1217 spectrum    1 weight  0.11000E+01 volume  0.43105E-03 ppm1      9.886 ppm2      2.895 CV     1
 ASSI { 1219}
   (( segid "alk1" and resid 57   and name HN  ))
   (( segid "alk1" and resid 33   and name HZ2 ))
      4.500     2.500     1.500 peak  1219 spectrum    1 weight  0.11000E+01 volume  0.36665E-03 ppm1      8.867 ppm2      7.026 CV     1
 ASSI { 1221}
   (( segid "alk1" and resid 57   and name HN  ))
   (( segid "alk1" and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1221 spectrum    1 weight  0.11000E+01 volume  0.38841E-04 ppm1      8.866 ppm2      7.343 CV     1
 ASSI { 1223}
   (( segid "alk1" and resid 57   and name HN  ))
   (( segid "alk1" and resid 58   and name HN  ))
      3.200     1.300     1.300 peak  1223 spectrum    1 weight  0.11000E+01 volume  0.10150E-02 ppm1      8.866 ppm2      9.763 CV     1
 ASSI { 1224}
   (( segid "alk1" and resid 57   and name HN  ))
   (( segid "alk1" and resid 56   and name HB1 ))
      5.400     3.600     0.600 peak  1224 spectrum    1 weight  0.11000E+01 volume  0.11287E-03 ppm1      8.868 ppm2      3.486 CV     1
 ASSI { 1225}
   (( segid "alk1" and resid 57   and name HN  ))
   (( segid "alk1" and resid 57   and name HD1 ))
      6.000     4.800     0.000 peak  1225 spectrum    1 weight  0.11000E+01 volume  0.72204E-04 ppm1      8.866 ppm2      1.968 CV     1
 ASSI { 1226}
   (( segid "alk1" and resid 57   and name HN  ))
   (( segid "alk1" and resid 57   and name HG2 ))
      4.700     2.700     1.300 peak  1226 spectrum    1 weight  0.11000E+01 volume  0.54372E-03 ppm1      8.866 ppm2      0.759 CV     1
 ASSI { 1227}
   (( segid "alk1" and resid 57   and name HN  ))
   (( segid "alk1" and resid 57   and name HG1 ))
      4.200     2.200     1.800 peak  1227 spectrum    1 weight  0.11000E+01 volume  0.67567E-03 ppm1      8.866 ppm2      1.196 CV     1
 ASSI { 1229}
   (( segid "alk1" and resid 8    and name HN  ))
   (( segid "alk1" and resid 8    and name HG1 ))
      6.000     6.000     0.000 peak  1229 spectrum    1 weight  0.11000E+01 volume  0.97232E-05 ppm1      8.273 ppm2      1.452 CV     1
 ASSI { 1231}
   (( segid "alk1" and resid 16   and name HN  ))
   (( segid "alk1" and resid 30   and name HG2 ))
      6.000     6.000     0.000 peak  1231 spectrum    1 weight  0.11000E+01 volume  0.80772E-05 ppm1      8.893 ppm2      1.569 CV     1
 OR { 1231}
   (( segid "alk1" and resid 16   and name HN  ))
   (( segid "alk1" and resid 30   and name HG1 ))
 ASSI { 1232}
   (( segid "alk1" and resid 54   and name HD22))
   (( segid "alk1" and resid 31   and name HN  ))
      6.000     5.800     0.000 peak  1232 spectrum    1 weight  0.11000E+01 volume  0.32649E-05 ppm1      7.425 ppm2      8.869 CV     1
 ASSI { 1239}
   (( segid "alk1" and resid 54   and name HD22))
   (( segid "alk1" and resid 30   and name HA  ))
      6.000     6.000     0.000 peak  1239 spectrum    1 weight  0.11000E+01 volume  0.22074E-05 ppm1      7.419 ppm2      5.524 CV     1
 ASSI { 1242}
   (( segid "alk1" and resid 61   and name HN  ))
   (( segid "alk1" and resid 70   and name HD2 ))
      6.000     6.000     0.000 peak  1242 spectrum    1 weight  0.11000E+01 volume  0.30524E-05 ppm1      7.629 ppm2      6.884 CV     1
 ASSI {    2}
   (( segid "alk1" and resid 35   and name HB  ))
   (( segid "alk1" and resid 36   and name HN  ))
      2.800     1.000     1.000 peak     2 spectrum    1 weight  0.11000E+01 volume  0.33014E-02 ppm1      4.017 ppm2      8.844 CV     1
 ASSI {    3}
   (( segid "alk1" and resid 35   and name HB  ))
   (( segid "alk1" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak     3 spectrum    1 weight  0.11000E+01 volume  0.38750E-02 ppm1      4.017 ppm2      5.915 CV     1
 ASSI {    6}
   (( segid "alk1" and resid 75   and name HB2 ))
   (( segid "alk1" and resid 76   and name HN  ))
      2.900     1.100     1.100 peak     6 spectrum    1 weight  0.11000E+01 volume  0.34694E-02 ppm1      4.058 ppm2      8.313 CV     1
 ASSI {    9}
   (( segid "alk1" and resid 75   and name HB1 ))
   (( segid "alk1" and resid 75   and name HA  ))
      2.400     0.700     0.700 peak     9 spectrum    1 weight  0.11000E+01 volume  0.54272E-02 ppm1      3.852 ppm2      4.898 CV     1
 ASSI {   15}
   (( segid "alk1" and resid 64   and name HA  ))
   (( segid "alk1" and resid 65   and name HN  ))
      2.800     1.000     1.000 peak    15 spectrum    1 weight  0.11000E+01 volume  0.25361E-02 ppm1      4.482 ppm2      7.952 CV     1
 ASSI {   22}
   (( segid "alk1" and resid 82   and name HA  ))
   (( segid "alk1" and resid 94   and name HN  ))
      2.200     2.200     3.800 peak    22 spectrum    1 weight  0.11000E+01 volume  0.10223E-01 ppm1      3.844 ppm2      8.366 CV     1
 ASSI {   23}
   (( segid "alk1" and resid 7    and name HA  ))
   (( segid "alk1" and resid 8    and name HN  ))
      2.300     0.700     0.700 peak    23 spectrum    1 weight  0.11000E+01 volume  0.70480E-02 ppm1      3.992 ppm2      8.284 CV     1
 ASSI {   34}
   (( segid "alk1" and resid 78   and name HA  ))
   (( segid "alk1" and resid 78   and name HN  ))
      2.700     0.900     0.900 peak    34 spectrum    1 weight  0.11000E+01 volume  0.29586E-02 ppm1      4.428 ppm2      8.486 CV     1
 ASSI {   36}
   (( segid "alk1" and resid 10   and name HA  ))
   (( segid "alk1" and resid 11   and name HN  ))
      2.500     0.800     0.800 peak    36 spectrum    1 weight  0.11000E+01 volume  0.50601E-02 ppm1      4.380 ppm2      8.345 CV     1
 ASSI {   37}
   (( segid "alk1" and resid 42   and name HA  ))
   (( segid "alk1" and resid 43   and name HN  ))
      2.000     0.500     0.500 peak    37 spectrum    1 weight  0.11000E+01 volume  0.14559E-01 ppm1      4.027 ppm2      8.676 CV     1
 ASSI {   45}
   (( segid "alk1" and resid 60   and name HA  ))
   (( segid "alk1" and resid 60   and name HN  ))
      2.500     0.800     0.800 peak    45 spectrum    1 weight  0.11000E+01 volume  0.52408E-02 ppm1      4.259 ppm2      7.637 CV     1
 ASSI {   52}
   (( segid "alk1" and resid 32   and name HA  ))
   (( segid "alk1" and resid 32   and name HN  ))
      4.500     2.500     1.500 peak    52 spectrum    1 weight  0.11000E+01 volume  0.12338E-03 ppm1      4.407 ppm2      7.736 CV     1
 ASSI {   57}
   (( segid "alk1" and resid 29   and name HB2 ))
   (( segid "alk1" and resid 29   and name HA  ))
      2.700     0.900     0.900 peak    57 spectrum    1 weight  0.11000E+01 volume  0.24737E-02 ppm1      3.475 ppm2      4.867 CV     1
 ASSI {   59}
   (( segid "alk1" and resid 29   and name HB1 ))
   (( segid "alk1" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak    59 spectrum    1 weight  0.11000E+01 volume  0.30567E-02 ppm1      2.792 ppm2      4.868 CV     1
 ASSI {   60}
   (( segid "alk1" and resid 43   and name HA2 ))
   (( segid "alk1" and resid 43   and name HN  ))
      2.800     1.000     1.000 peak    60 spectrum    1 weight  0.11000E+01 volume  0.20923E-02 ppm1      4.088 ppm2      8.682 CV     1
 ASSI {   63}
   (( segid "alk1" and resid 62   and name HA2 ))
   (( segid "alk1" and resid 63   and name HN  ))
      2.700     0.900     0.900 peak    63 spectrum    1 weight  0.11000E+01 volume  0.35830E-02 ppm1      3.883 ppm2      8.213 CV     1
 ASSI {   65}
   (( segid "alk1" and resid 31   and name HA1 ))
   (( segid "alk1" and resid 32   and name HN  ))
      3.800     1.800     1.800 peak    65 spectrum    1 weight  0.11000E+01 volume  0.12584E-03 ppm1      4.417 ppm2      7.733 CV     1
 ASSI {   68}
   (( segid "alk1" and resid 29   and name HB1 ))
   (( segid "alk1" and resid 29   and name HB2 ))
      1.900     0.500     0.500 peak    68 spectrum    1 weight  0.11000E+01 volume  0.94500E-02 ppm1      2.792 ppm2      3.475 CV     1
 ASSI {   70}
   (( segid "alk1" and resid 28   and name HB  ))
   (  segid "alk1" and resid 16   and name HG2%)
      2.500     0.800     0.800 peak    70 spectrum    1 weight  0.11000E+01 volume  0.42260E-02 ppm1      4.219 ppm2      1.154 CV     1
 ASSI {   71}
   (( segid "alk1" and resid 28   and name HB  ))
   (  segid "alk1" and resid 28   and name HG2%)
      2.300     0.600     0.600 peak    71 spectrum    1 weight  0.11000E+01 volume  0.75452E-02 ppm1      4.218 ppm2      0.986 CV     1
 ASSI {   73}
   (( segid "alk1" and resid 35   and name HB  ))
   (  segid "alk1" and resid 37   and name HG1%)
      2.800     1.000     1.000 peak    73 spectrum    1 weight  0.11000E+01 volume  0.28995E-02 ppm1      4.018 ppm2      0.665 CV     1
 ASSI {   75}
   (( segid "alk1" and resid 98   and name HB  ))
   (  segid "alk1" and resid 98   and name HG2%)
      3.000     1.100     1.100 peak    75 spectrum    1 weight  0.11000E+01 volume  0.18519E-02 ppm1      4.253 ppm2      1.151 CV     1
 ASSI {   76}
   (( segid "alk1" and resid 89   and name HB  ))
   (  segid "alk1" and resid 89   and name HG2%)
      2.300     0.700     0.700 peak    76 spectrum    1 weight  0.11000E+01 volume  0.76967E-02 ppm1      4.145 ppm2      1.147 CV     1
 ASSI {   77}
   (( segid "alk1" and resid 18   and name HB  ))
   (  segid "alk1" and resid 18   and name HG2%)
      2.400     0.700     0.700 peak    77 spectrum    1 weight  0.11000E+01 volume  0.57668E-02 ppm1      3.480 ppm2      1.222 CV     1
 ASSI {   79}
   (( segid "alk1" and resid 18   and name HA  ))
   (  segid "alk1" and resid 18   and name HG2%)
      3.100     1.200     1.200 peak    79 spectrum    1 weight  0.11000E+01 volume  0.13292E-02 ppm1      4.001 ppm2      1.218 CV     1
 ASSI {   88}
   (( segid "alk1" and resid 22   and name HA  ))
   (( segid "alk1" and resid 22   and name HB1 ))
      2.000     2.000     4.000 peak    88 spectrum    1 weight  0.11000E+01 volume  0.12069E-01 ppm1      4.359 ppm2      2.273 CV     1
 ASSI {   89}
   (( segid "alk1" and resid 22   and name HA  ))
   (( segid "alk1" and resid 22   and name HG2 ))
      3.400     1.400     1.400 peak    89 spectrum    1 weight  0.11000E+01 volume  0.24960E-02 ppm1      4.360 ppm2      1.889 CV     1
 ASSI {   90}
   (( segid "alk1" and resid 22   and name HA  ))
   (( segid "alk1" and resid 22   and name HB2 ))
      3.200     1.200     1.200 peak    90 spectrum    1 weight  0.11000E+01 volume  0.12637E-02 ppm1      4.359 ppm2      1.466 CV     1
 ASSI {   91}
   (( segid "alk1" and resid 64   and name HA  ))
   (( segid "alk1" and resid 64   and name HB2 ))
      4.500     2.600     1.500 peak    91 spectrum    1 weight  0.11000E+01 volume  0.25186E-03 ppm1      4.487 ppm2      1.989 CV     1
 ASSI {   93}
   (( segid "alk1" and resid 96   and name HA  ))
   (( segid "alk1" and resid 96   and name HB2 ))
      2.200     0.600     0.600 peak    93 spectrum    1 weight  0.11000E+01 volume  0.15261E-01 ppm1      4.424 ppm2      2.277 CV     1
 ASSI {   94}
   (( segid "alk1" and resid 9    and name HA  ))
   (( segid "alk1" and resid 8    and name HB1 ))
      5.000     3.200     1.000 peak    94 spectrum    1 weight  0.11000E+01 volume  0.13207E-03 ppm1      4.426 ppm2      1.793 CV     1
 ASSI {   95}
   (( segid "alk1" and resid 13   and name HA  ))
   (( segid "alk1" and resid 14   and name HB1 ))
      5.700     4.100     0.300 peak    95 spectrum    1 weight  0.11000E+01 volume  0.26381E-03 ppm1      4.427 ppm2      1.573 CV     1
 ASSI {  106}
   (( segid "alk1" and resid 85   and name HA  ))
   (  segid "alk1" and resid 38   and name HD2%)
      2.200     2.200     3.800 peak   106 spectrum    1 weight  0.11000E+01 volume  0.10176E-01 ppm1      3.940 ppm2      0.781 CV     1
 ASSI {  110}
   (( segid "alk1" and resid 7    and name HA  ))
   (  segid "alk1" and resid 7    and name HG1%)
      3.100     1.200     1.200 peak   110 spectrum    1 weight  0.11000E+01 volume  0.15280E-02 ppm1      3.993 ppm2      0.898 CV     1
 OR {  110}
   (( segid "alk1" and resid 7    and name HA  ))
   (  segid "alk1" and resid 7    and name HG2%)
 ASSI {  112}
   (( segid "alk1" and resid 89   and name HA  ))
   (  segid "alk1" and resid 89   and name HG2%)
      3.000     1.100     1.100 peak   112 spectrum    1 weight  0.11000E+01 volume  0.22095E-02 ppm1      4.262 ppm2      1.145 CV     1
 ASSI {  113}
   (( segid "alk1" and resid 65   and name HA  ))
   (  segid "alk1" and resid 65   and name HG2%)
      3.100     1.200     1.200 peak   113 spectrum    1 weight  0.11000E+01 volume  0.17247E-02 ppm1      4.417 ppm2      1.216 CV     1
 ASSI {  115}
   (( segid "alk1" and resid 15   and name HA  ))
   (  segid "alk1" and resid 15   and name HG1%)
      2.500     0.800     0.800 peak   115 spectrum    1 weight  0.11000E+01 volume  0.42699E-02 ppm1      4.455 ppm2      0.784 CV     1
 OR {  115}
   (( segid "alk1" and resid 15   and name HA  ))
   (  segid "alk1" and resid 15   and name HG2%)
 ASSI {  118}
   (( segid "alk1" and resid 58   and name HA  ))
   (( segid "alk1" and resid 58   and name HB1 ))
      2.500     0.800     0.800 peak   118 spectrum    1 weight  0.11000E+01 volume  0.57510E-02 ppm1      4.033 ppm2      2.087 CV     1
 OR {  118}
   (( segid "alk1" and resid 58   and name HA  ))
   (( segid "alk1" and resid 58   and name HG1 ))
 ASSI {  119}
   (( segid "alk1" and resid 42   and name HA  ))
   (( segid "alk1" and resid 42   and name HG2 ))
      3.200     1.300     1.300 peak   119 spectrum    1 weight  0.11000E+01 volume  0.13940E-02 ppm1      4.026 ppm2      2.243 CV     1
 OR {  119}
   (( segid "alk1" and resid 42   and name HA  ))
   (( segid "alk1" and resid 42   and name HG1 ))
 ASSI {  120}
   (( segid "alk1" and resid 42   and name HA  ))
   (( segid "alk1" and resid 42   and name HB2 ))
      2.200     0.600     0.600 peak   120 spectrum    1 weight  0.11000E+01 volume  0.11129E-01 ppm1      4.026 ppm2      1.973 CV     1
 OR {  120}
   (( segid "alk1" and resid 42   and name HA  ))
   (( segid "alk1" and resid 42   and name HB1 ))
 ASSI {  121}
   (( segid "alk1" and resid 66   and name HA  ))
   (( segid "alk1" and resid 66   and name HG2 ))
      2.800     1.000     1.000 peak   121 spectrum    1 weight  0.11000E+01 volume  0.35887E-02 ppm1      4.172 ppm2      1.936 CV     1
 OR {  121}
   (( segid "alk1" and resid 66   and name HA  ))
   (( segid "alk1" and resid 66   and name HG1 ))
 ASSI {  122}
   (( segid "alk1" and resid 66   and name HA  ))
   (( segid "alk1" and resid 66   and name HB1 ))
      2.300     0.700     0.700 peak   122 spectrum    1 weight  0.11000E+01 volume  0.87578E-02 ppm1      4.171 ppm2      1.795 CV     1
 OR {  122}
   (( segid "alk1" and resid 66   and name HA  ))
   (( segid "alk1" and resid 66   and name HB2 ))
 ASSI {  123}
   (( segid "alk1" and resid 87   and name HA  ))
   (( segid "alk1" and resid 87   and name HB2 ))
      2.500     2.500     3.500 peak   123 spectrum    1 weight  0.11000E+01 volume  0.42347E-02 ppm1      4.181 ppm2      1.972 CV     1
 ASSI {  128}
   (( segid "alk1" and resid 11   and name HA  ))
   (( segid "alk1" and resid 11   and name HG1 ))
      2.800     1.000     1.000 peak   128 spectrum    1 weight  0.11000E+01 volume  0.26838E-02 ppm1      4.416 ppm2      1.679 CV     1
 OR {  128}
   (( segid "alk1" and resid 11   and name HA  ))
   (( segid "alk1" and resid 11   and name HG2 ))
 ASSI {  131}
   (( segid "alk1" and resid 11   and name HA  ))
   (( segid "alk1" and resid 8    and name HG1 ))
      3.700     3.700     2.300 peak   131 spectrum    1 weight  0.10000E+01 volume  0.13430E-03 ppm1      4.404 ppm2      1.448 CV     1
 ASSI {  133}
   (( segid "alk1" and resid 41   and name HA  ))
   (( segid "alk1" and resid 41   and name HG1 ))
      2.800     1.000     1.000 peak   133 spectrum    1 weight  0.11000E+01 volume  0.31417E-02 ppm1      4.393 ppm2      2.164 CV     1
 OR {  133}
   (( segid "alk1" and resid 41   and name HA  ))
   (( segid "alk1" and resid 41   and name HG2 ))
 ASSI {  134}
   (( segid "alk1" and resid 41   and name HA  ))
   (( segid "alk1" and resid 41   and name HB1 ))
      2.500     0.800     0.800 peak   134 spectrum    1 weight  0.11000E+01 volume  0.50872E-02 ppm1      4.391 ppm2      1.914 CV     1
 ASSI {  135}
   (( segid "alk1" and resid 41   and name HA  ))
   (( segid "alk1" and resid 41   and name HB2 ))
      2.700     0.900     0.900 peak   135 spectrum    1 weight  0.11000E+01 volume  0.29658E-02 ppm1      4.394 ppm2      1.759 CV     1
 ASSI {  136}
   (( segid "alk1" and resid 61   and name HA  ))
   (( segid "alk1" and resid 61   and name HB2 ))
      3.100     3.100     2.900 peak   136 spectrum    1 weight  0.11000E+01 volume  0.13225E-02 ppm1      4.489 ppm2      1.905 CV     1
 ASSI {  138}
   (( segid "alk1" and resid 32   and name HA  ))
   (  segid "alk1" and resid 32   and name HB% )
      2.100     0.600     0.600 peak   138 spectrum    1 weight  0.11000E+01 volume  0.13230E-01 ppm1      4.411 ppm2      1.496 CV     1
 ASSI {  139}
   (( segid "alk1" and resid 32   and name HA  ))
   (  segid "alk1" and resid 14   and name HD2%)
      3.300     1.300     1.300 peak   139 spectrum    1 weight  0.11000E+01 volume  0.26168E-03 ppm1      4.409 ppm2      0.639 CV     1
 ASSI {  142}
   (( segid "alk1" and resid 54   and name HA  ))
   (  segid "alk1" and resid 32   and name HB% )
      2.400     0.700     0.700 peak   142 spectrum    1 weight  0.11000E+01 volume  0.57483E-02 ppm1      4.027 ppm2      1.494 CV     1
 ASSI {  151}
   (( segid "alk1" and resid 79   and name HA  ))
   (  segid "alk1" and resid 82   and name HG1%)
      3.300     1.400     1.400 peak   151 spectrum    1 weight  0.11000E+01 volume  0.95211E-03 ppm1      4.420 ppm2      0.801 CV     1
 ASSI {  152}
   (( segid "alk1" and resid 88   and name HA  ))
   (  segid "alk1" and resid 88   and name HB% )
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.11000E+01 volume  0.61516E-02 ppm1      4.305 ppm2      1.340 CV     1
 ASSI {  159}
   (( segid "alk1" and resid 92   and name HD2 ))
   (( segid "alk1" and resid 92   and name HG2 ))
      2.000     0.500     0.500 peak   159 spectrum    1 weight  0.11000E+01 volume  0.19458E-01 ppm1      3.621 ppm2      1.997 CV     1
 OR {  159}
   (( segid "alk1" and resid 92   and name HD2 ))
   (( segid "alk1" and resid 92   and name HG1 ))
 ASSI {  160}
   (( segid "alk1" and resid 46   and name HD2 ))
   (( segid "alk1" and resid 46   and name HB1 ))
      3.000     1.100     1.100 peak   160 spectrum    1 weight  0.10000E+01 volume  0.50641E-02 ppm1      3.443 ppm2      2.042 CV     1
 ASSI {  167}
   (( segid "alk1" and resid 27   and name HD1 ))
   (( segid "alk1" and resid 27   and name HB2 ))
      4.000     2.000     2.000 peak   167 spectrum    1 weight  0.11000E+01 volume  0.10677E-02 ppm1      3.543 ppm2      2.094 CV     1
 ASSI {  168}
   (( segid "alk1" and resid 52   and name HB1 ))
   (( segid "alk1" and resid 52   and name HB2 ))
      1.900     0.500     0.500 peak   168 spectrum    1 weight  0.11000E+01 volume  0.80380E-02 ppm1      2.890 ppm2      2.442 CV     1
 ASSI {  169}
   (( segid "alk1" and resid 40   and name HD1 ))
   (( segid "alk1" and resid 40   and name HB2 ))
      2.800     0.900     0.900 peak   169 spectrum    1 weight  0.11000E+01 volume  0.36236E-02 ppm1      3.095 ppm2      1.731 CV     1
 ASSI {  170}
   (( segid "alk1" and resid 40   and name HD2 ))
   (( segid "alk1" and resid 40   and name HG2 ))
      2.500     0.800     0.800 peak   170 spectrum    1 weight  0.11000E+01 volume  0.55006E-02 ppm1      3.094 ppm2      1.388 CV     1
 ASSI {  171}
   (( segid "alk1" and resid 30   and name HD1 ))
   (( segid "alk1" and resid 30   and name HG2 ))
      2.000     0.500     0.500 peak   171 spectrum    1 weight  0.11000E+01 volume  0.14339E-01 ppm1      3.059 ppm2      1.599 CV     1
 OR {  171}
   (( segid "alk1" and resid 30   and name HD1 ))
   (( segid "alk1" and resid 30   and name HG1 ))
 ASSI {  173}
   (( segid "alk1" and resid 11   and name HD2 ))
   (( segid "alk1" and resid 11   and name HB2 ))
      2.600     0.800     0.800 peak   173 spectrum    1 weight  0.10000E+01 volume  0.50527E-02 ppm1      3.199 ppm2      1.870 CV     1
 OR {  173}
   (( segid "alk1" and resid 11   and name HD1 ))
   (( segid "alk1" and resid 11   and name HB2 ))
 OR {  173}
   (( segid "alk1" and resid 11   and name HD2 ))
   (( segid "alk1" and resid 11   and name HB1 ))
 OR {  173}
   (( segid "alk1" and resid 11   and name HD1 ))
   (( segid "alk1" and resid 11   and name HB1 ))
 ASSI {  174}
   (( segid "alk1" and resid 11   and name HD1 ))
   (( segid "alk1" and resid 11   and name HG2 ))
      1.900     0.500     0.500 peak   174 spectrum    1 weight  0.11000E+01 volume  0.19947E-01 ppm1      3.201 ppm2      1.681 CV     1
 OR {  174}
   (( segid "alk1" and resid 11   and name HD2 ))
   (( segid "alk1" and resid 11   and name HG1 ))
 OR {  174}
   (( segid "alk1" and resid 11   and name HD2 ))
   (( segid "alk1" and resid 11   and name HG2 ))
 OR {  174}
   (( segid "alk1" and resid 11   and name HD1 ))
   (( segid "alk1" and resid 11   and name HG1 ))
 ASSI {  178}
   (( segid "alk1" and resid 14   and name HB2 ))
   (( segid "alk1" and resid 14   and name HB1 ))
      2.000     0.500     0.500 peak   178 spectrum    1 weight  0.11000E+01 volume  0.60091E-02 ppm1      1.219 ppm2      1.575 CV     1
 ASSI {  182}
   (( segid "alk1" and resid 12   and name HA2 ))
   (( segid "alk1" and resid 13   and name HD2 ))
      2.500     0.800     0.800 peak   182 spectrum    1 weight  0.11000E+01 volume  0.13003E-01 ppm1      4.056 ppm2      3.642 CV     1
 ASSI {  185}
   (( segid "alk1" and resid 26   and name HA2 ))
   (( segid "alk1" and resid 28   and name HN  ))
      6.000     5.600     0.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.33872E-04 ppm1      4.178 ppm2      7.598 CV     1
 ASSI {  186}
   (( segid "alk1" and resid 26   and name HA2 ))
   (( segid "alk1" and resid 27   and name HG2 ))
      3.800     3.800     2.200 peak   186 spectrum    1 weight  0.11000E+01 volume  0.18873E-02 ppm1      4.186 ppm2      1.991 CV     1
 OR {  186}
   (( segid "alk1" and resid 26   and name HA2 ))
   (( segid "alk1" and resid 27   and name HG1 ))
 ASSI {  187}
   (( segid "alk1" and resid 26   and name HA2 ))
   (( segid "alk1" and resid 27   and name HB2 ))
      3.600     1.600     1.600 peak   187 spectrum    1 weight  0.11000E+01 volume  0.19743E-02 ppm1      4.180 ppm2      2.097 CV     1
 ASSI {  188}
   (( segid "alk1" and resid 15   and name HA  ))
   (( segid "alk1" and resid 15   and name HN  ))
      2.900     1.100     1.100 peak   188 spectrum    1 weight  0.11000E+01 volume  0.13944E-02 ppm1      4.458 ppm2      9.118 CV     1
 ASSI {  189}
   (( segid "alk1" and resid 15   and name HA  ))
   (( segid "alk1" and resid 16   and name HA  ))
      3.300     3.300     2.700 peak   189 spectrum    1 weight  0.11000E+01 volume  0.21151E-02 ppm1      4.451 ppm2      4.924 CV     1
 ASSI {  192}
   (( segid "alk1" and resid 16   and name HA  ))
   (( segid "alk1" and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   192 spectrum    1 weight  0.11000E+01 volume  0.26230E-02 ppm1      4.885 ppm2      8.884 CV     1
 ASSI {  194}
   (( segid "alk1" and resid 16   and name HA  ))
   (( segid "alk1" and resid 17   and name HA  ))
      2.400     2.400     3.600 peak   194 spectrum    1 weight  0.11000E+01 volume  0.13625E-01 ppm1      4.888 ppm2      4.888 CV     1
 ASSI {  195}
   (( segid "alk1" and resid 16   and name HA  ))
   (  segid "alk1" and resid 16   and name HG2%)
      2.700     0.900     0.900 peak   195 spectrum    1 weight  0.11000E+01 volume  0.34181E-02 ppm1      4.893 ppm2      1.157 CV     1
 ASSI {  199}
   (( segid "alk1" and resid 17   and name HA  ))
   (  segid "alk1" and resid 77   and name HD2%)
      2.500     0.800     0.800 peak   199 spectrum    1 weight  0.11000E+01 volume  0.31776E-02 ppm1      4.877 ppm2      0.530 CV     1
 ASSI {  200}
   (( segid "alk1" and resid 16   and name HB  ))
   (  segid "alk1" and resid 77   and name HD2%)
      3.300     1.400     1.400 peak   200 spectrum    1 weight  0.11000E+01 volume  0.17669E-02 ppm1      4.137 ppm2      0.533 CV     1
 ASSI {  201}
   (( segid "alk1" and resid 16   and name HB  ))
   (  segid "alk1" and resid 15   and name HG1%)
      5.200     3.400     0.800 peak   201 spectrum    1 weight  0.11000E+01 volume  0.19804E-03 ppm1      4.134 ppm2      0.781 CV     1
 ASSI {  202}
   (( segid "alk1" and resid 16   and name HB  ))
   (( segid "alk1" and resid 76   and name HB1 ))
      3.600     1.600     1.600 peak   202 spectrum    1 weight  0.11000E+01 volume  0.75931E-03 ppm1      4.137 ppm2      3.065 CV     1
 OR {  202}
   (( segid "alk1" and resid 16   and name HB  ))
   (( segid "alk1" and resid 76   and name HB2 ))
 ASSI {  203}
   (( segid "alk1" and resid 16   and name HB  ))
   (( segid "alk1" and resid 16   and name HA  ))
      3.100     1.200     1.200 peak   203 spectrum    1 weight  0.11000E+01 volume  0.13748E-02 ppm1      4.134 ppm2      4.879 CV     1
 ASSI {  204}
   (( segid "alk1" and resid 16   and name HB  ))
   (( segid "alk1" and resid 15   and name HA  ))
      4.000     2.000     2.000 peak   204 spectrum    1 weight  0.11000E+01 volume  0.20034E-02 ppm1      4.133 ppm2      4.452 CV     1
 ASSI {  207}
   (( segid "alk1" and resid 18   and name HA  ))
   (  segid "alk1" and resid 77   and name HD2%)
      3.400     1.500     1.500 peak   207 spectrum    1 weight  0.11000E+01 volume  0.87376E-03 ppm1      4.000 ppm2      0.540 CV     1
 ASSI {  208}
   (( segid "alk1" and resid 18   and name HA  ))
   (  segid "alk1" and resid 28   and name HG2%)
      2.700     0.900     0.900 peak   208 spectrum    1 weight  0.11000E+01 volume  0.28280E-02 ppm1      4.001 ppm2      0.984 CV     1
 ASSI {  209}
   (( segid "alk1" and resid 18   and name HA  ))
   (( segid "alk1" and resid 18   and name HB  ))
      3.000     1.100     1.100 peak   209 spectrum    1 weight  0.11000E+01 volume  0.14347E-02 ppm1      4.001 ppm2      3.478 CV     1
 ASSI {  211}
   (( segid "alk1" and resid 18   and name HA  ))
   (( segid "alk1" and resid 28   and name HA  ))
      3.100     1.200     1.200 peak   211 spectrum    1 weight  0.11000E+01 volume  0.26177E-02 ppm1      4.002 ppm2      5.363 CV     1
 ASSI {  212}
   (( segid "alk1" and resid 18   and name HA  ))
   (( segid "alk1" and resid 18   and name HN  ))
      2.900     1.000     1.000 peak   212 spectrum    1 weight  0.11000E+01 volume  0.16141E-02 ppm1      3.997 ppm2      8.925 CV     1
 ASSI {  215}
   (( segid "alk1" and resid 18   and name HB  ))
   (( segid "alk1" and resid 79   and name HN  ))
      5.300     3.500     0.700 peak   215 spectrum    1 weight  0.11000E+01 volume  0.10323E-03 ppm1      3.478 ppm2      8.443 CV     1
 ASSI {  217}
   (( segid "alk1" and resid 18   and name HB  ))
   (( segid "alk1" and resid 17   and name HA  ))
      4.400     2.400     1.600 peak   217 spectrum    1 weight  0.11000E+01 volume  0.78466E-03 ppm1      3.479 ppm2      4.881 CV     1
 ASSI {  219}
   (( segid "alk1" and resid 18   and name HB  ))
   (( segid "alk1" and resid 77   and name HA  ))
      4.300     2.300     1.700 peak   219 spectrum    1 weight  0.11000E+01 volume  0.47755E-03 ppm1      3.479 ppm2      3.761 CV     1
 ASSI {  221}
   (( segid "alk1" and resid 18   and name HB  ))
   (( segid "alk1" and resid 50   and name HD2 ))
      2.700     0.900     0.900 peak   221 spectrum    1 weight  0.11000E+01 volume  0.28076E-02 ppm1      3.478 ppm2      3.202 CV     1
 OR {  221}
   (( segid "alk1" and resid 18   and name HB  ))
   (( segid "alk1" and resid 50   and name HD1 ))
 ASSI {  223}
   (( segid "alk1" and resid 18   and name HB  ))
   (( segid "alk1" and resid 17   and name HB1 ))
      5.500     3.800     0.500 peak   223 spectrum    1 weight  0.11000E+01 volume  0.87658E-04 ppm1      3.475 ppm2      2.961 CV     1
 ASSI {  224}
   (( segid "alk1" and resid 18   and name HB  ))
   (( segid "alk1" and resid 17   and name HB2 ))
      5.900     4.400     0.100 peak   224 spectrum    1 weight  0.11000E+01 volume  0.10964E-03 ppm1      3.479 ppm2      2.847 CV     1
 ASSI {  225}
   (( segid "alk1" and resid 18   and name HB  ))
   (( segid "alk1" and resid 50   and name HB1 ))
      3.200     1.300     1.300 peak   225 spectrum    1 weight  0.11000E+01 volume  0.13000E-02 ppm1      3.480 ppm2      1.807 CV     1
 OR {  225}
   (( segid "alk1" and resid 18   and name HB  ))
   (( segid "alk1" and resid 50   and name HB2 ))
 ASSI {  226}
   (( segid "alk1" and resid 18   and name HB  ))
   (( segid "alk1" and resid 50   and name HG2 ))
      3.900     1.900     1.900 peak   226 spectrum    1 weight  0.11000E+01 volume  0.48076E-03 ppm1      3.474 ppm2      1.496 CV     1
 OR {  226}
   (( segid "alk1" and resid 18   and name HB  ))
   (( segid "alk1" and resid 50   and name HG1 ))
 ASSI {  227}
   (( segid "alk1" and resid 18   and name HB  ))
   (  segid "alk1" and resid 77   and name HD2%)
      4.200     2.200     1.800 peak   227 spectrum    1 weight  0.11000E+01 volume  0.61519E-03 ppm1      3.480 ppm2      0.534 CV     1
 ASSI {  229}
   (( segid "alk1" and resid 19   and name HA  ))
   (( segid "alk1" and resid 50   and name HN  ))
      4.100     2.100     1.900 peak   229 spectrum    1 weight  0.11000E+01 volume  0.40101E-03 ppm1      5.030 ppm2      8.857 CV     1
 ASSI {  230}
   (( segid "alk1" and resid 19   and name HA  ))
   (( segid "alk1" and resid 19   and name HN  ))
      3.000     1.100     1.100 peak   230 spectrum    1 weight  0.11000E+01 volume  0.11989E-02 ppm1      5.036 ppm2      8.222 CV     1
 ASSI {  232}
   (( segid "alk1" and resid 19   and name HA  ))
   (( segid "alk1" and resid 51   and name HA1 ))
      2.500     0.800     0.800 peak   232 spectrum    1 weight  0.11000E+01 volume  0.27034E-02 ppm1      5.034 ppm2      4.481 CV     1
 ASSI {  234}
   (( segid "alk1" and resid 19   and name HA  ))
   (( segid "alk1" and resid 50   and name HB1 ))
      3.700     1.700     1.700 peak   234 spectrum    1 weight  0.11000E+01 volume  0.10908E-02 ppm1      5.035 ppm2      1.820 CV     1
 ASSI {  235}
   (( segid "alk1" and resid 19   and name HA  ))
   (( segid "alk1" and resid 19   and name HB2 ))
      2.800     1.000     1.000 peak   235 spectrum    1 weight  0.11000E+01 volume  0.19262E-02 ppm1      5.035 ppm2      1.616 CV     1
 ASSI {  236}
   (( segid "alk1" and resid 19   and name HA  ))
   (( segid "alk1" and resid 50   and name HG2 ))
      4.100     2.100     1.900 peak   236 spectrum    1 weight  0.11000E+01 volume  0.26934E-03 ppm1      5.026 ppm2      1.496 CV     1
 OR {  236}
   (( segid "alk1" and resid 19   and name HA  ))
   (( segid "alk1" and resid 50   and name HG1 ))
 ASSI {  237}
   (( segid "alk1" and resid 19   and name HA  ))
   (( segid "alk1" and resid 19   and name HB1 ))
      2.700     0.900     0.900 peak   237 spectrum    1 weight  0.11000E+01 volume  0.26255E-02 ppm1      5.036 ppm2      3.784 CV     1
 ASSI {  238}
   (( segid "alk1" and resid 19   and name HA  ))
   (( segid "alk1" and resid 51   and name HA2 ))
      3.000     1.100     1.100 peak   238 spectrum    1 weight  0.11000E+01 volume  0.16438E-02 ppm1      5.037 ppm2      3.866 CV     1
 ASSI {  239}
   (( segid "alk1" and resid 20   and name HA  ))
   (( segid "alk1" and resid 21   and name HN  ))
      2.000     0.500     0.500 peak   239 spectrum    1 weight  0.11000E+01 volume  0.10949E-01 ppm1      4.510 ppm2      7.773 CV     1
 ASSI {  240}
   (( segid "alk1" and resid 21   and name HA  ))
   (( segid "alk1" and resid 22   and name HD2 ))
      2.800     1.000     1.000 peak   240 spectrum    1 weight  0.11000E+01 volume  0.30637E-02 ppm1      4.508 ppm2      3.178 CV     1
 ASSI {  241}
   (( segid "alk1" and resid 21   and name HA  ))
   (( segid "alk1" and resid 22   and name HD1 ))
      2.600     0.800     0.800 peak   241 spectrum    1 weight  0.11000E+01 volume  0.41633E-02 ppm1      4.506 ppm2      3.337 CV     1
 ASSI {  242}
   (( segid "alk1" and resid 21   and name HA  ))
   (( segid "alk1" and resid 21   and name HN  ))
      2.700     0.900     0.900 peak   242 spectrum    1 weight  0.11000E+01 volume  0.19309E-02 ppm1      4.512 ppm2      7.749 CV     1
 ASSI {  243}
   (( segid "alk1" and resid 21   and name HB1 ))
   (( segid "alk1" and resid 21   and name HN  ))
      3.500     1.500     1.500 peak   243 spectrum    1 weight  0.11000E+01 volume  0.14527E-02 ppm1      3.980 ppm2      7.776 CV     1
 ASSI {  244}
   (( segid "alk1" and resid 21   and name HB1 ))
   (( segid "alk1" and resid 50   and name HN  ))
      5.100     3.300     0.900 peak   244 spectrum    1 weight  0.11000E+01 volume  0.16076E-03 ppm1      3.985 ppm2      8.857 CV     1
 ASSI {  245}
   (( segid "alk1" and resid 21   and name HB1 ))
   (( segid "alk1" and resid 20   and name HN  ))
      5.300     3.500     0.700 peak   245 spectrum    1 weight  0.11000E+01 volume  0.13081E-03 ppm1      3.983 ppm2      9.103 CV     1
 ASSI {  246}
   (( segid "alk1" and resid 21   and name HB1 ))
   (( segid "alk1" and resid 49   and name HB2 ))
      3.300     1.300     1.300 peak   246 spectrum    1 weight  0.11000E+01 volume  0.18084E-02 ppm1      3.980 ppm2      3.041 CV     1
 ASSI {  248}
   (( segid "alk1" and resid 21   and name HB1 ))
   (( segid "alk1" and resid 22   and name HD1 ))
      3.100     1.200     1.200 peak   248 spectrum    1 weight  0.11000E+01 volume  0.19953E-02 ppm1      3.980 ppm2      3.327 CV     1
 ASSI {  249}
   (( segid "alk1" and resid 21   and name HB1 ))
   (( segid "alk1" and resid 21   and name HB2 ))
      1.700     0.400     0.500 peak   249 spectrum    1 weight  0.11000E+01 volume  0.17141E-01 ppm1      3.981 ppm2      3.806 CV     1
 ASSI {  250}
   (( segid "alk1" and resid 21   and name HB1 ))
   (( segid "alk1" and resid 21   and name HA  ))
      2.700     0.900     0.900 peak   250 spectrum    1 weight  0.11000E+01 volume  0.34851E-02 ppm1      3.982 ppm2      4.505 CV     1
 ASSI {  251}
   (( segid "alk1" and resid 21   and name HB1 ))
   (( segid "alk1" and resid 49   and name HA  ))
      3.500     1.500     1.500 peak   251 spectrum    1 weight  0.11000E+01 volume  0.10684E-02 ppm1      3.986 ppm2      5.394 CV     1
 ASSI {  256}
   (( segid "alk1" and resid 24   and name HA  ))
   (( segid "alk1" and resid 24   and name HB1 ))
      2.800     1.000     1.000 peak   256 spectrum    1 weight  0.11000E+01 volume  0.20067E-02 ppm1      4.364 ppm2      3.534 CV     1
 ASSI {  257}
   (( segid "alk1" and resid 24   and name HA  ))
   (( segid "alk1" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak   257 spectrum    1 weight  0.11000E+01 volume  0.21932E-02 ppm1      4.364 ppm2      3.046 CV     1
 ASSI {  260}
   (( segid "alk1" and resid 28   and name HA  ))
   (( segid "alk1" and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   260 spectrum    1 weight  0.11000E+01 volume  0.34395E-02 ppm1      5.359 ppm2      8.228 CV     1
 ASSI {  262}
   (( segid "alk1" and resid 28   and name HA  ))
   (( segid "alk1" and resid 29   and name HA  ))
      4.000     2.000     2.000 peak   262 spectrum    1 weight  0.11000E+01 volume  0.60651E-03 ppm1      5.357 ppm2      4.860 CV     1
 ASSI {  263}
   (( segid "alk1" and resid 28   and name HA  ))
   (( segid "alk1" and resid 19   and name HA  ))
      5.800     4.200     0.200 peak   263 spectrum    1 weight  0.11000E+01 volume  0.91044E-04 ppm1      5.361 ppm2      5.061 CV     1
 ASSI {  265}
   (( segid "alk1" and resid 28   and name HA  ))
   (( segid "alk1" and resid 28   and name HB  ))
      2.400     0.700     0.700 peak   265 spectrum    1 weight  0.11000E+01 volume  0.44878E-02 ppm1      5.359 ppm2      4.218 CV     1
 ASSI {  267}
   (( segid "alk1" and resid 28   and name HA  ))
   (( segid "alk1" and resid 19   and name HB1 ))
      3.800     1.800     1.800 peak   267 spectrum    1 weight  0.11000E+01 volume  0.11970E-02 ppm1      5.361 ppm2      3.784 CV     1
 ASSI {  268}
   (( segid "alk1" and resid 28   and name HA  ))
   (( segid "alk1" and resid 24   and name HB1 ))
      5.400     5.400     0.600 peak   268 spectrum    1 weight  0.11000E+01 volume  0.13089E-03 ppm1      5.365 ppm2      3.496 CV     1
 ASSI {  269}
   (( segid "alk1" and resid 28   and name HA  ))
   (( segid "alk1" and resid 29   and name HB1 ))
      5.200     3.300     0.800 peak   269 spectrum    1 weight  0.11000E+01 volume  0.75603E-04 ppm1      5.356 ppm2      2.820 CV     1
 ASSI {  271}
   (( segid "alk1" and resid 28   and name HA  ))
   (  segid "alk1" and resid 16   and name HG2%)
      3.500     1.500     1.500 peak   271 spectrum    1 weight  0.11000E+01 volume  0.16015E-02 ppm1      5.357 ppm2      1.162 CV     1
 ASSI {  272}
   (( segid "alk1" and resid 28   and name HA  ))
   (  segid "alk1" and resid 28   and name HG2%)
      2.400     0.700     0.700 peak   272 spectrum    1 weight  0.11000E+01 volume  0.53118E-02 ppm1      5.359 ppm2      0.984 CV     1
 ASSI {  273}
   (( segid "alk1" and resid 28   and name HA  ))
   (  segid "alk1" and resid 77   and name HD2%)
      4.100     2.100     1.900 peak   273 spectrum    1 weight  0.11000E+01 volume  0.72549E-04 ppm1      5.359 ppm2      0.543 CV     1
 ASSI {  274}
   (( segid "alk1" and resid 28   and name HA  ))
   (( segid "alk1" and resid 27   and name HG2 ))
      5.600     5.600     0.400 peak   274 spectrum    1 weight  0.11000E+01 volume  0.78670E-04 ppm1      5.363 ppm2      1.991 CV     1
 ASSI {  276}
   (( segid "alk1" and resid 30   and name HA  ))
   (( segid "alk1" and resid 17   and name HN  ))
      3.800     1.800     1.800 peak   276 spectrum    1 weight  0.11000E+01 volume  0.18671E-02 ppm1      5.577 ppm2      9.152 CV     1
 ASSI {  278}
   (( segid "alk1" and resid 30   and name HA  ))
   (( segid "alk1" and resid 30   and name HN  ))
      3.000     1.100     1.100 peak   278 spectrum    1 weight  0.11000E+01 volume  0.12311E-02 ppm1      5.579 ppm2      8.491 CV     1
 ASSI {  281}
   (( segid "alk1" and resid 30   and name HA  ))
   (( segid "alk1" and resid 16   and name HA  ))
      2.600     0.800     0.800 peak   281 spectrum    1 weight  0.11000E+01 volume  0.25138E-02 ppm1      5.577 ppm2      4.883 CV     1
 ASSI {  284}
   (( segid "alk1" and resid 30   and name HA  ))
   (  segid "alk1" and resid 16   and name HG2%)
      3.600     1.600     1.600 peak   284 spectrum    1 weight  0.11000E+01 volume  0.18158E-02 ppm1      5.583 ppm2      1.167 CV     1
 ASSI {  285}
   (( segid "alk1" and resid 30   and name HA  ))
   (  segid "alk1" and resid 15   and name HG1%)
      3.700     1.700     1.700 peak   285 spectrum    1 weight  0.11000E+01 volume  0.86635E-03 ppm1      5.577 ppm2      0.772 CV     1
 ASSI {  287}
   (( segid "alk1" and resid 30   and name HA  ))
   (( segid "alk1" and resid 30   and name HB2 ))
      3.100     3.100     2.900 peak   287 spectrum    1 weight  0.11000E+01 volume  0.16281E-02 ppm1      5.576 ppm2      1.531 CV     1
 ASSI {  289}
   (( segid "alk1" and resid 31   and name HA1 ))
   (( segid "alk1" and resid 32   and name HA  ))
      2.600     2.600     3.400 peak   289 spectrum    1 weight  0.11000E+01 volume  0.75006E-02 ppm1      4.408 ppm2      4.417 CV     1
 ASSI {  290}
   (( segid "alk1" and resid 31   and name HA1 ))
   (( segid "alk1" and resid 31   and name HA2 ))
      1.800     0.400     0.400 peak   290 spectrum    1 weight  0.11000E+01 volume  0.10662E-01 ppm1      4.412 ppm2      3.328 CV     1
 ASSI {  293}
   (( segid "alk1" and resid 31   and name HA1 ))
   (  segid "alk1" and resid 32   and name HB% )
      4.000     2.000     2.000 peak   293 spectrum    1 weight  0.11000E+01 volume  0.95640E-03 ppm1      4.426 ppm2      1.507 CV     1
 ASSI {  294}
   (( segid "alk1" and resid 31   and name HA1 ))
   (  segid "alk1" and resid 15   and name HG2%)
      4.200     2.200     1.800 peak   294 spectrum    1 weight  0.11000E+01 volume  0.60504E-03 ppm1      4.425 ppm2      0.755 CV     1
 ASSI {  295}
   (( segid "alk1" and resid 31   and name HA1 ))
   (  segid "alk1" and resid 14   and name HD2%)
      3.500     1.500     1.500 peak   295 spectrum    1 weight  0.11000E+01 volume  0.14887E-02 ppm1      4.408 ppm2      0.641 CV     1
 ASSI {  298}
   (( segid "alk1" and resid 31   and name HA2 ))
   (( segid "alk1" and resid 52   and name HB1 ))
      4.600     2.600     1.400 peak   298 spectrum    1 weight  0.11000E+01 volume  0.13448E-02 ppm1      3.331 ppm2      2.895 CV     1
 ASSI {  300}
   (( segid "alk1" and resid 31   and name HA2 ))
   (( segid "alk1" and resid 54   and name HA  ))
      4.200     2.200     1.800 peak   300 spectrum    1 weight  0.11000E+01 volume  0.23532E-03 ppm1      3.330 ppm2      4.042 CV     1
 ASSI {  302}
   (( segid "alk1" and resid 31   and name HA2 ))
   (( segid "alk1" and resid 52   and name HA  ))
      6.000     6.000     0.000 peak   302 spectrum    1 weight  0.11000E+01 volume  0.45006E-04 ppm1      3.335 ppm2      5.192 CV     1
 ASSI {  303}
   (( segid "alk1" and resid 31   and name HA2 ))
   (( segid "alk1" and resid 30   and name HA  ))
      6.000     5.000     0.000 peak   303 spectrum    1 weight  0.11000E+01 volume  0.44107E-04 ppm1      3.326 ppm2      5.582 CV     1
 ASSI {  305}
   (( segid "alk1" and resid 31   and name HA2 ))
   (( segid "alk1" and resid 54   and name HD22))
      5.100     3.300     0.900 peak   305 spectrum    1 weight  0.11000E+01 volume  0.85502E-04 ppm1      3.330 ppm2      7.446 CV     1
 ASSI {  306}
   (( segid "alk1" and resid 31   and name HA2 ))
   (( segid "alk1" and resid 33   and name HN  ))
      5.000     3.100     1.000 peak   306 spectrum    1 weight  0.11000E+01 volume  0.93702E-03 ppm1      3.328 ppm2      7.829 CV     1
 ASSI {  309}
   (( segid "alk1" and resid 31   and name HA2 ))
   (( segid "alk1" and resid 30   and name HB2 ))
      5.200     3.300     0.800 peak   309 spectrum    1 weight  0.11000E+01 volume  0.64265E-04 ppm1      3.323 ppm2      1.610 CV     1
 OR {  309}
   (( segid "alk1" and resid 31   and name HA2 ))
   (( segid "alk1" and resid 30   and name HB1 ))
 ASSI {  310}
   (( segid "alk1" and resid 31   and name HA2 ))
   (  segid "alk1" and resid 32   and name HB% )
      4.100     2.100     1.900 peak   310 spectrum    1 weight  0.11000E+01 volume  0.87008E-03 ppm1      3.331 ppm2      1.501 CV     1
 ASSI {  312}
   (( segid "alk1" and resid 31   and name HA2 ))
   (  segid "alk1" and resid 14   and name HD2%)
      2.900     1.100     1.100 peak   312 spectrum    1 weight  0.11000E+01 volume  0.14703E-02 ppm1      3.330 ppm2      0.641 CV     1
 ASSI {  313}
   (( segid "alk1" and resid 32   and name HA  ))
   (  segid "alk1" and resid 15   and name HG2%)
      3.200     1.300     1.300 peak   313 spectrum    1 weight  0.11000E+01 volume  0.12385E-02 ppm1      4.414 ppm2      0.780 CV     1
 ASSI {  314}
   (( segid "alk1" and resid 32   and name HA  ))
   (( segid "alk1" and resid 33   and name HN  ))
      3.400     1.500     1.500 peak   314 spectrum    1 weight  0.11000E+01 volume  0.10715E-02 ppm1      4.410 ppm2      7.832 CV     1
 ASSI {  315}
   (( segid "alk1" and resid 28   and name HB  ))
   (( segid "alk1" and resid 17   and name HN  ))
      3.700     1.700     1.700 peak   315 spectrum    1 weight  0.11000E+01 volume  0.74590E-03 ppm1      4.219 ppm2      9.171 CV     1
 ASSI {  318}
   (( segid "alk1" and resid 28   and name HB  ))
   (( segid "alk1" and resid 29   and name HA  ))
      3.600     1.600     1.600 peak   318 spectrum    1 weight  0.11000E+01 volume  0.74151E-03 ppm1      4.219 ppm2      4.872 CV     1
 ASSI {  320}
   (( segid "alk1" and resid 28   and name HB  ))
   (  segid "alk1" and resid 77   and name HD2%)
      2.700     2.700     3.300 peak   320 spectrum    1 weight  0.11000E+01 volume  0.79418E-03 ppm1      4.219 ppm2      0.536 CV     1
 ASSI {  321}
   (( segid "alk1" and resid 28   and name HB  ))
   (( segid "alk1" and resid 30   and name HG1 ))
      5.200     3.400     0.800 peak   321 spectrum    1 weight  0.11000E+01 volume  0.99535E-04 ppm1      4.218 ppm2      1.616 CV     1
 OR {  321}
   (( segid "alk1" and resid 28   and name HB  ))
   (( segid "alk1" and resid 30   and name HG2 ))
 ASSI {  323}
   (( segid "alk1" and resid 29   and name HB1 ))
   (( segid "alk1" and resid 25   and name HN  ))
      2.800     2.800     3.200 peak   323 spectrum    1 weight  0.11000E+01 volume  0.65697E-03 ppm1      2.793 ppm2      8.866 CV     1
 ASSI {  324}
   (( segid "alk1" and resid 29   and name HB1 ))
   (( segid "alk1" and resid 19   and name HB1 ))
      3.700     1.700     1.700 peak   324 spectrum    1 weight  0.11000E+01 volume  0.51318E-03 ppm1      2.790 ppm2      3.786 CV     1
 ASSI {  325}
   (( segid "alk1" and resid 29   and name HB1 ))
   (( segid "alk1" and resid 19   and name HB2 ))
      2.900     1.000     1.000 peak   325 spectrum    1 weight  0.11000E+01 volume  0.12743E-02 ppm1      2.792 ppm2      1.610 CV     1
 ASSI {  327}
   (( segid "alk1" and resid 29   and name HB2 ))
   (( segid "alk1" and resid 30   and name HB2 ))
      3.800     1.800     1.800 peak   327 spectrum    1 weight  0.11000E+01 volume  0.11438E-02 ppm1      3.471 ppm2      1.615 CV     1
 OR {  327}
   (( segid "alk1" and resid 29   and name HB2 ))
   (( segid "alk1" and resid 30   and name HB1 ))
 ASSI {  328}
   (( segid "alk1" and resid 29   and name HB2 ))
   (( segid "alk1" and resid 19   and name HB1 ))
      3.900     3.900     2.100 peak   328 spectrum    1 weight  0.11000E+01 volume  0.97816E-04 ppm1      3.471 ppm2      3.782 CV     1
 ASSI {  329}
   (( segid "alk1" and resid 34   and name HA  ))
   (( segid "alk1" and resid 34   and name HN  ))
      3.000     1.100     1.100 peak   329 spectrum    1 weight  0.11000E+01 volume  0.97896E-03 ppm1      5.894 ppm2      9.305 CV     1
 ASSI {  330}
   (( segid "alk1" and resid 34   and name HA  ))
   (( segid "alk1" and resid 53   and name HN  ))
      3.400     1.400     1.400 peak   330 spectrum    1 weight  0.11000E+01 volume  0.11828E-02 ppm1      5.894 ppm2      8.683 CV     1
 ASSI {  332}
   (( segid "alk1" and resid 34   and name HA  ))
   (( segid "alk1" and resid 23   and name HE1 ))
      4.200     2.200     1.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.54694E-03 ppm1      5.892 ppm2      8.063 CV     1
 ASSI {  333}
   (( segid "alk1" and resid 34   and name HA  ))
   (( segid "alk1" and resid 51   and name HN  ))
      5.300     3.500     0.700 peak   333 spectrum    1 weight  0.11000E+01 volume  0.91862E-04 ppm1      5.900 ppm2      8.210 CV     1
 ASSI {  336}
   (( segid "alk1" and resid 34   and name HA  ))
   (( segid "alk1" and resid 52   and name HA  ))
      2.500     0.800     0.800 peak   336 spectrum    1 weight  0.11000E+01 volume  0.35163E-02 ppm1      5.894 ppm2      5.197 CV     1
 ASSI {  339}
   (( segid "alk1" and resid 34   and name HA  ))
   (  segid "alk1" and resid 15   and name HG1%)
      3.900     1.900     1.900 peak   339 spectrum    1 weight  0.11000E+01 volume  0.32152E-03 ppm1      5.892 ppm2      0.790 CV     1
 ASSI {  340}
   (( segid "alk1" and resid 34   and name HA  ))
   (( segid "alk1" and resid 34   and name HB1 ))
      2.300     0.700     0.700 peak   340 spectrum    1 weight  0.11000E+01 volume  0.55502E-02 ppm1      5.894 ppm2      3.175 CV     1
 OR {  340}
   (( segid "alk1" and resid 34   and name HA  ))
   (( segid "alk1" and resid 34   and name HB2 ))
 ASSI {  341}
   (( segid "alk1" and resid 34   and name HA  ))
   (( segid "alk1" and resid 33   and name HB2 ))
      3.700     1.700     1.700 peak   341 spectrum    1 weight  0.11000E+01 volume  0.13837E-02 ppm1      5.891 ppm2      3.300 CV     1
 ASSI {  342}
   (( segid "alk1" and resid 34   and name HA  ))
   (( segid "alk1" and resid 52   and name HB1 ))
      3.800     1.800     1.800 peak   342 spectrum    1 weight  0.11000E+01 volume  0.84949E-03 ppm1      5.894 ppm2      2.867 CV     1
 ASSI {  343}
   (( segid "alk1" and resid 34   and name HA  ))
   (( segid "alk1" and resid 17   and name HB1 ))
      3.200     1.300     1.300 peak   343 spectrum    1 weight  0.11000E+01 volume  0.11575E-02 ppm1      5.893 ppm2      2.968 CV     1
 ASSI {  345}
   (( segid "alk1" and resid 35   and name HA  ))
   (( segid "alk1" and resid 35   and name HN  ))
      2.400     0.700     0.700 peak   345 spectrum    1 weight  0.11000E+01 volume  0.39897E-02 ppm1      5.919 ppm2      8.928 CV     1
 ASSI {  346}
   (( segid "alk1" and resid 35   and name HA  ))
   (( segid "alk1" and resid 36   and name HN  ))
      2.100     0.500     0.500 peak   346 spectrum    1 weight  0.11000E+01 volume  0.81687E-02 ppm1      5.917 ppm2      8.842 CV     1
 ASSI {  348}
   (( segid "alk1" and resid 35   and name HA  ))
   (  segid "alk1" and resid 71   and name HD% )
      5.100     3.300     0.900 peak   348 spectrum    1 weight  0.11000E+01 volume  0.94269E-04 ppm1      5.903 ppm2      6.866 CV     1
 ASSI {  350}
   (( segid "alk1" and resid 35   and name HA  ))
   (( segid "alk1" and resid 72   and name HA  ))
      1.900     0.500     0.500 peak   350 spectrum    1 weight  0.11000E+01 volume  0.12822E-01 ppm1      5.919 ppm2      5.804 CV     1
 ASSI {  351}
   (( segid "alk1" and resid 35   and name HA  ))
   (( segid "alk1" and resid 36   and name HA  ))
      4.200     2.200     1.800 peak   351 spectrum    1 weight  0.11000E+01 volume  0.39159E-03 ppm1      5.914 ppm2      4.776 CV     1
 ASSI {  353}
   (( segid "alk1" and resid 35   and name HA  ))
   (( segid "alk1" and resid 72   and name HB1 ))
      4.200     2.200     1.800 peak   353 spectrum    1 weight  0.11000E+01 volume  0.59273E-03 ppm1      5.914 ppm2      2.921 CV     1
 ASSI {  355}
   (( segid "alk1" and resid 35   and name HA  ))
   (( segid "alk1" and resid 36   and name HB  ))
      5.700     4.000     0.300 peak   355 spectrum    1 weight  0.11000E+01 volume  0.13888E-03 ppm1      5.913 ppm2      1.937 CV     1
 ASSI {  356}
   (( segid "alk1" and resid 35   and name HA  ))
   (  segid "alk1" and resid 35   and name HG2%)
      2.400     0.700     0.700 peak   356 spectrum    1 weight  0.11000E+01 volume  0.45998E-02 ppm1      5.919 ppm2      1.232 CV     1
 ASSI {  357}
   (( segid "alk1" and resid 35   and name HA  ))
   (  segid "alk1" and resid 36   and name HG1%)
      3.600     1.600     1.600 peak   357 spectrum    1 weight  0.11000E+01 volume  0.91751E-03 ppm1      5.920 ppm2      1.137 CV     1
 ASSI {  359}
   (( segid "alk1" and resid 35   and name HA  ))
   (  segid "alk1" and resid 37   and name HG2%)
      5.500     3.700     0.500 peak   359 spectrum    1 weight  0.11000E+01 volume  0.82794E-04 ppm1      5.919 ppm2      0.775 CV     1
 ASSI {  360}
   (( segid "alk1" and resid 35   and name HA  ))
   (  segid "alk1" and resid 36   and name HG2%)
      6.000     6.000     0.000 peak   360 spectrum    1 weight  0.11000E+01 volume  0.39474E-04 ppm1      5.923 ppm2      0.887 CV     1
 ASSI {  362}
   (( segid "alk1" and resid 35   and name HB  ))
   (  segid "alk1" and resid 37   and name HG2%)
      3.300     1.400     1.400 peak   362 spectrum    1 weight  0.11000E+01 volume  0.90052E-03 ppm1      4.017 ppm2      0.769 CV     1
 ASSI {  363}
   (( segid "alk1" and resid 35   and name HB  ))
   (  segid "alk1" and resid 36   and name HG1%)
      4.400     2.400     1.600 peak   363 spectrum    1 weight  0.11000E+01 volume  0.43098E-03 ppm1      4.023 ppm2      1.130 CV     1
 ASSI {  365}
   (( segid "alk1" and resid 35   and name HB  ))
   (( segid "alk1" and resid 72   and name HA  ))
      4.400     2.400     1.600 peak   365 spectrum    1 weight  0.11000E+01 volume  0.51338E-03 ppm1      4.012 ppm2      5.806 CV     1
 ASSI {  368}
   (( segid "alk1" and resid 39   and name HA  ))
   (  segid "alk1" and resid 39   and name HG2%)
      2.900     1.100     1.100 peak   368 spectrum    1 weight  0.11000E+01 volume  0.19244E-02 ppm1      4.373 ppm2      0.591 CV     1
 ASSI {  369}
   (( segid "alk1" and resid 39   and name HA  ))
   (  segid "alk1" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak   369 spectrum    1 weight  0.11000E+01 volume  0.26556E-02 ppm1      4.379 ppm2      0.791 CV     1
 ASSI {  370}
   (( segid "alk1" and resid 39   and name HA  ))
   (( segid "alk1" and resid 39   and name HB  ))
      3.100     1.200     1.200 peak   370 spectrum    1 weight  0.11000E+01 volume  0.14560E-02 ppm1      4.379 ppm2      1.729 CV     1
 ASSI {  372}
   (( segid "alk1" and resid 42   and name HA  ))
   (( segid "alk1" and resid 43   and name HA1 ))
      3.500     1.500     1.500 peak   372 spectrum    1 weight  0.11000E+01 volume  0.21169E-02 ppm1      4.026 ppm2      3.742 CV     1
 ASSI {  373}
   (( segid "alk1" and resid 42   and name HA  ))
   (( segid "alk1" and resid 41   and name HA  ))
      4.200     2.200     1.800 peak   373 spectrum    1 weight  0.11000E+01 volume  0.47929E-03 ppm1      4.027 ppm2      4.394 CV     1
 ASSI {  375}
   (( segid "alk1" and resid 42   and name HA  ))
   (( segid "alk1" and resid 41   and name HB2 ))
      4.900     3.000     1.100 peak   375 spectrum    1 weight  0.11000E+01 volume  0.23864E-03 ppm1      4.033 ppm2      1.778 CV     1
 ASSI {  377}
   (( segid "alk1" and resid 42   and name HA  ))
   (( segid "alk1" and resid 44   and name HN  ))
      3.700     1.700     1.700 peak   377 spectrum    1 weight  0.11000E+01 volume  0.11685E-02 ppm1      4.025 ppm2      7.906 CV     1
 ASSI {  378}
   (( segid "alk1" and resid 43   and name HA1 ))
   (( segid "alk1" and resid 44   and name HN  ))
      3.000     1.100     1.100 peak   378 spectrum    1 weight  0.11000E+01 volume  0.18336E-02 ppm1      3.733 ppm2      7.905 CV     1
 ASSI {  379}
   (( segid "alk1" and resid 43   and name HA1 ))
   (( segid "alk1" and resid 44   and name HA  ))
      3.600     1.700     1.700 peak   379 spectrum    1 weight  0.11000E+01 volume  0.85301E-03 ppm1      3.740 ppm2      4.591 CV     1
 ASSI {  380}
   (( segid "alk1" and resid 43   and name HA1 ))
   (( segid "alk1" and resid 42   and name HG2 ))
      4.100     2.100     1.900 peak   380 spectrum    1 weight  0.11000E+01 volume  0.12958E-03 ppm1      3.732 ppm2      2.244 CV     1
 OR {  380}
   (( segid "alk1" and resid 43   and name HA1 ))
   (( segid "alk1" and resid 42   and name HG1 ))
 ASSI {  381}
   (( segid "alk1" and resid 43   and name HA1 ))
   (( segid "alk1" and resid 42   and name HB1 ))
      3.300     3.300     2.700 peak   381 spectrum    1 weight  0.11000E+01 volume  0.27396E-03 ppm1      3.733 ppm2      1.953 CV     1
 OR {  381}
   (( segid "alk1" and resid 43   and name HA1 ))
   (( segid "alk1" and resid 42   and name HB2 ))
 ASSI {  382}
   (( segid "alk1" and resid 43   and name HA1 ))
   (( segid "alk1" and resid 44   and name HG1 ))
      3.900     1.900     1.900 peak   382 spectrum    1 weight  0.11000E+01 volume  0.51513E-03 ppm1      3.732 ppm2      1.513 CV     1
 OR {  382}
   (( segid "alk1" and resid 43   and name HA1 ))
   (( segid "alk1" and resid 44   and name HG2 ))
 ASSI {  383}
   (( segid "alk1" and resid 48   and name HA  ))
   (( segid "alk1" and resid 49   and name HN  ))
      2.100     0.500     0.500 peak   383 spectrum    1 weight  0.11000E+01 volume  0.10190E-01 ppm1      5.085 ppm2      9.200 CV     1
 ASSI {  384}
   (( segid "alk1" and resid 48   and name HA  ))
   (( segid "alk1" and resid 39   and name HN  ))
      3.500     1.500     1.500 peak   384 spectrum    1 weight  0.11000E+01 volume  0.15963E-02 ppm1      5.084 ppm2      8.880 CV     1
 ASSI {  385}
   (( segid "alk1" and resid 48   and name HA  ))
   (( segid "alk1" and resid 48   and name HN  ))
      2.800     1.000     1.000 peak   385 spectrum    1 weight  0.11000E+01 volume  0.21579E-02 ppm1      5.086 ppm2      8.752 CV     1
 ASSI {  386}
   (( segid "alk1" and resid 48   and name HA  ))
   (( segid "alk1" and resid 38   and name HA  ))
      2.200     0.600     0.600 peak   386 spectrum    1 weight  0.11000E+01 volume  0.68207E-02 ppm1      5.085 ppm2      4.889 CV     1
 ASSI {  387}
   (( segid "alk1" and resid 48   and name HA  ))
   (( segid "alk1" and resid 48   and name HG1 ))
      2.500     0.800     0.800 peak   387 spectrum    1 weight  0.11000E+01 volume  0.49143E-02 ppm1      5.087 ppm2      2.025 CV     1
 OR {  387}
   (( segid "alk1" and resid 48   and name HA  ))
   (( segid "alk1" and resid 48   and name HG2 ))
 ASSI {  388}
   (( segid "alk1" and resid 48   and name HA  ))
   (( segid "alk1" and resid 48   and name HB2 ))
      2.300     0.600     0.600 peak   388 spectrum    1 weight  0.11000E+01 volume  0.76314E-02 ppm1      5.086 ppm2      1.822 CV     1
 OR {  388}
   (( segid "alk1" and resid 48   and name HA  ))
   (( segid "alk1" and resid 48   and name HB1 ))
 ASSI {  389}
   (( segid "alk1" and resid 48   and name HA  ))
   (  segid "alk1" and resid 36   and name HG2%)
      5.000     3.100     1.000 peak   389 spectrum    1 weight  0.11000E+01 volume  0.20113E-03 ppm1      5.083 ppm2      0.886 CV     1
 ASSI {  391}
   (( segid "alk1" and resid 48   and name HA  ))
   (  segid "alk1" and resid 38   and name HD1%)
      2.500     0.800     0.800 peak   391 spectrum    1 weight  0.11000E+01 volume  0.45022E-02 ppm1      5.081 ppm2      0.769 CV     1
 ASSI {  392}
   (( segid "alk1" and resid 49   and name HA  ))
   (( segid "alk1" and resid 49   and name HN  ))
      2.900     1.100     1.100 peak   392 spectrum    1 weight  0.11000E+01 volume  0.15764E-02 ppm1      5.389 ppm2      9.197 CV     1
 ASSI {  393}
   (( segid "alk1" and resid 49   and name HA  ))
   (( segid "alk1" and resid 20   and name HN  ))
      5.100     3.200     0.900 peak   393 spectrum    1 weight  0.11000E+01 volume  0.13616E-03 ppm1      5.388 ppm2      9.087 CV     1
 ASSI {  395}
   (( segid "alk1" and resid 49   and name HA  ))
   (( segid "alk1" and resid 49   and name HD2 ))
      3.000     1.100     1.100 peak   395 spectrum    1 weight  0.11000E+01 volume  0.13031E-02 ppm1      5.388 ppm2      7.017 CV     1
 ASSI {  397}
   (( segid "alk1" and resid 49   and name HA  ))
   (( segid "alk1" and resid 49   and name HB1 ))
      2.200     0.600     0.600 peak   397 spectrum    1 weight  0.11000E+01 volume  0.49340E-02 ppm1      5.390 ppm2      3.146 CV     1
 ASSI {  398}
   (( segid "alk1" and resid 49   and name HA  ))
   (( segid "alk1" and resid 49   and name HB2 ))
      2.800     1.000     1.000 peak   398 spectrum    1 weight  0.11000E+01 volume  0.29185E-02 ppm1      5.391 ppm2      3.036 CV     1
 ASSI {  399}
   (( segid "alk1" and resid 49   and name HA  ))
   (( segid "alk1" and resid 20   and name HB1 ))
      3.700     1.700     1.700 peak   399 spectrum    1 weight  0.11000E+01 volume  0.28339E-03 ppm1      5.391 ppm2      2.032 CV     1
 ASSI {  400}
   (( segid "alk1" and resid 49   and name HA  ))
   (( segid "alk1" and resid 48   and name HB2 ))
      2.800     2.800     3.200 peak   400 spectrum    1 weight  0.11000E+01 volume  0.13934E-02 ppm1      5.391 ppm2      1.831 CV     1
 OR {  400}
   (( segid "alk1" and resid 49   and name HA  ))
   (( segid "alk1" and resid 48   and name HB1 ))
 ASSI {  401}
   (( segid "alk1" and resid 49   and name HA  ))
   (( segid "alk1" and resid 21   and name HB2 ))
      4.600     2.700     1.400 peak   401 spectrum    1 weight  0.11000E+01 volume  0.19347E-03 ppm1      5.381 ppm2      3.806 CV     1
 ASSI {  403}
   (( segid "alk1" and resid 49   and name HA  ))
   (( segid "alk1" and resid 48   and name HA  ))
      4.300     2.300     1.700 peak   403 spectrum    1 weight  0.11000E+01 volume  0.41895E-03 ppm1      5.390 ppm2      5.086 CV     1
 ASSI {  404}
   (( segid "alk1" and resid 49   and name HA  ))
   (( segid "alk1" and resid 50   and name HA  ))
      4.200     2.200     1.800 peak   404 spectrum    1 weight  0.11000E+01 volume  0.44670E-03 ppm1      5.387 ppm2      5.223 CV     1
 ASSI {  405}
   (( segid "alk1" and resid 49   and name HA  ))
   (( segid "alk1" and resid 50   and name HG1 ))
      5.300     3.500     0.700 peak   405 spectrum    1 weight  0.11000E+01 volume  0.11430E-03 ppm1      5.392 ppm2      1.489 CV     1
 OR {  405}
   (( segid "alk1" and resid 49   and name HA  ))
   (( segid "alk1" and resid 50   and name HG2 ))
 ASSI {  406}
   (( segid "alk1" and resid 50   and name HA  ))
   (( segid "alk1" and resid 37   and name HN  ))
      3.600     1.600     1.600 peak   406 spectrum    1 weight  0.11000E+01 volume  0.10385E-02 ppm1      5.221 ppm2      9.054 CV     1
 ASSI {  407}
   (( segid "alk1" and resid 50   and name HA  ))
   (( segid "alk1" and resid 50   and name HN  ))
      2.900     1.000     1.000 peak   407 spectrum    1 weight  0.11000E+01 volume  0.12748E-02 ppm1      5.216 ppm2      8.847 CV     1
 ASSI {  409}
   (( segid "alk1" and resid 50   and name HA  ))
   (( segid "alk1" and resid 23   and name HE1 ))
      3.200     1.300     1.300 peak   409 spectrum    1 weight  0.10000E+01 volume  0.12702E-02 ppm1      5.220 ppm2      8.074 CV     1
 ASSI {  411}
   (( segid "alk1" and resid 50   and name HA  ))
   (( segid "alk1" and resid 36   and name HA  ))
      2.500     0.800     0.800 peak   411 spectrum    1 weight  0.11000E+01 volume  0.24258E-02 ppm1      5.221 ppm2      4.758 CV     1
 ASSI {  412}
   (( segid "alk1" and resid 50   and name HA  ))
   (  segid "alk1" and resid 36   and name HG2%)
      4.200     2.200     1.800 peak   412 spectrum    1 weight  0.11000E+01 volume  0.91024E-03 ppm1      5.220 ppm2      0.894 CV     1
 ASSI {  413}
   (( segid "alk1" and resid 50   and name HA  ))
   (( segid "alk1" and resid 50   and name HG1 ))
      3.300     1.400     1.400 peak   413 spectrum    1 weight  0.11000E+01 volume  0.13059E-02 ppm1      5.225 ppm2      1.502 CV     1
 OR {  413}
   (( segid "alk1" and resid 50   and name HA  ))
   (( segid "alk1" and resid 50   and name HG2 ))
 ASSI {  414}
   (( segid "alk1" and resid 50   and name HA  ))
   (( segid "alk1" and resid 50   and name HB2 ))
      2.300     0.600     0.600 peak   414 spectrum    1 weight  0.11000E+01 volume  0.53568E-02 ppm1      5.219 ppm2      1.783 CV     1
 OR {  414}
   (( segid "alk1" and resid 50   and name HA  ))
   (( segid "alk1" and resid 50   and name HB1 ))
 ASSI {  415}
   (( segid "alk1" and resid 51   and name HA1 ))
   (( segid "alk1" and resid 20   and name HN  ))
      4.200     2.200     1.800 peak   415 spectrum    1 weight  0.11000E+01 volume  0.53222E-03 ppm1      4.467 ppm2      9.098 CV     1
 ASSI {  417}
   (( segid "alk1" and resid 51   and name HA2 ))
   (( segid "alk1" and resid 20   and name HN  ))
      5.400     3.600     0.600 peak   417 spectrum    1 weight  0.11000E+01 volume  0.19468E-03 ppm1      3.851 ppm2      9.105 CV     1
 ASSI {  419}
   (( segid "alk1" and resid 51   and name HA2 ))
   (( segid "alk1" and resid 52   and name HA  ))
      4.000     2.000     2.000 peak   419 spectrum    1 weight  0.11000E+01 volume  0.43192E-03 ppm1      3.857 ppm2      5.210 CV     1
 ASSI {  421}
   (( segid "alk1" and resid 52   and name HA  ))
   (  segid "alk1" and resid 35   and name HG2%)
      4.100     2.100     1.900 peak   421 spectrum    1 weight  0.11000E+01 volume  0.69810E-03 ppm1      5.189 ppm2      1.232 CV     1
 ASSI {  422}
   (( segid "alk1" and resid 52   and name HA  ))
   (( segid "alk1" and resid 53   and name HA2 ))
      5.400     3.700     0.600 peak   422 spectrum    1 weight  0.11000E+01 volume  0.15464E-03 ppm1      5.191 ppm2      2.249 CV     1
 ASSI {  423}
   (( segid "alk1" and resid 52   and name HA  ))
   (( segid "alk1" and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak   423 spectrum    1 weight  0.11000E+01 volume  0.25094E-02 ppm1      5.193 ppm2      2.443 CV     1
 ASSI {  424}
   (( segid "alk1" and resid 52   and name HA  ))
   (( segid "alk1" and resid 52   and name HB1 ))
      2.600     0.900     0.900 peak   424 spectrum    1 weight  0.11000E+01 volume  0.23626E-02 ppm1      5.196 ppm2      2.890 CV     1
 ASSI {  425}
   (( segid "alk1" and resid 52   and name HA  ))
   (( segid "alk1" and resid 34   and name HB1 ))
      3.300     1.400     1.400 peak   425 spectrum    1 weight  0.11000E+01 volume  0.25001E-03 ppm1      5.192 ppm2      3.183 CV     1
 OR {  425}
   (( segid "alk1" and resid 52   and name HA  ))
   (( segid "alk1" and resid 34   and name HB2 ))
 ASSI {  430}
   (( segid "alk1" and resid 52   and name HA  ))
   (( segid "alk1" and resid 52   and name HN  ))
      3.100     1.200     1.200 peak   430 spectrum    1 weight  0.11000E+01 volume  0.11462E-02 ppm1      5.191 ppm2      8.328 CV     1
 ASSI {  433}
   (( segid "alk1" and resid 52   and name HB1 ))
   (( segid "alk1" and resid 31   and name HN  ))
      3.200     1.300     1.300 peak   433 spectrum    1 weight  0.11000E+01 volume  0.10229E-02 ppm1      2.892 ppm2      8.854 CV     1
 ASSI {  434}
   (( segid "alk1" and resid 52   and name HB1 ))
   (( segid "alk1" and resid 53   and name HN  ))
      4.000     2.000     2.000 peak   434 spectrum    1 weight  0.11000E+01 volume  0.99334E-03 ppm1      2.889 ppm2      8.681 CV     1
 ASSI {  435}
   (( segid "alk1" and resid 52   and name HB1 ))
   (( segid "alk1" and resid 52   and name HN  ))
      2.700     0.900     0.900 peak   435 spectrum    1 weight  0.11000E+01 volume  0.25760E-02 ppm1      2.891 ppm2      8.329 CV     1
 ASSI {  436}
   (( segid "alk1" and resid 52   and name HB1 ))
   (( segid "alk1" and resid 54   and name HD21))
      5.700     4.000     0.300 peak   436 spectrum    1 weight  0.11000E+01 volume  0.16148E-03 ppm1      2.892 ppm2      6.963 CV     1
 ASSI {  440}
   (( segid "alk1" and resid 52   and name HB1 ))
   (( segid "alk1" and resid 31   and name HA1 ))
      3.300     1.400     1.400 peak   440 spectrum    1 weight  0.11000E+01 volume  0.18787E-02 ppm1      2.892 ppm2      4.424 CV     1
 ASSI {  441}
   (( segid "alk1" and resid 52   and name HB1 ))
   (( segid "alk1" and resid 51   and name HA2 ))
      4.400     2.400     1.600 peak   441 spectrum    1 weight  0.11000E+01 volume  0.18723E-03 ppm1      2.892 ppm2      3.849 CV     1
 ASSI {  442}
   (( segid "alk1" and resid 52   and name HB1 ))
   (( segid "alk1" and resid 29   and name HB2 ))
      4.300     2.300     1.700 peak   442 spectrum    1 weight  0.11000E+01 volume  0.15150E-03 ppm1      2.894 ppm2      3.472 CV     1
 ASSI {  445}
   (( segid "alk1" and resid 72   and name HB1 ))
   (  segid "alk1" and resid 35   and name HG2%)
      4.300     4.300     1.700 peak   445 spectrum    1 weight  0.11000E+01 volume  0.11850E-03 ppm1      2.894 ppm2      1.229 CV     1
 ASSI {  448}
   (( segid "alk1" and resid 52   and name HB2 ))
   (( segid "alk1" and resid 52   and name HN  ))
      3.100     1.200     1.200 peak   448 spectrum    1 weight  0.11000E+01 volume  0.15618E-02 ppm1      2.440 ppm2      8.326 CV     1
 ASSI {  451}
   (( segid "alk1" and resid 52   and name HB2 ))
   (( segid "alk1" and resid 54   and name HD21))
      5.500     3.800     0.500 peak   451 spectrum    1 weight  0.11000E+01 volume  0.65120E-04 ppm1      2.438 ppm2      6.973 CV     1
 ASSI {  453}
   (( segid "alk1" and resid 52   and name HB2 ))
   (( segid "alk1" and resid 31   and name HA1 ))
      2.400     0.700     0.700 peak   453 spectrum    1 weight  0.11000E+01 volume  0.22264E-02 ppm1      2.440 ppm2      4.424 CV     1
 ASSI {  454}
   (( segid "alk1" and resid 52   and name HB2 ))
   (( segid "alk1" and resid 51   and name HA2 ))
      3.800     3.800     2.200 peak   454 spectrum    1 weight  0.11000E+01 volume  0.11527E-03 ppm1      2.442 ppm2      3.854 CV     1
 ASSI {  455}
   (( segid "alk1" and resid 52   and name HB2 ))
   (( segid "alk1" and resid 31   and name HA2 ))
      3.600     1.600     1.600 peak   455 spectrum    1 weight  0.11000E+01 volume  0.26498E-02 ppm1      2.440 ppm2      3.331 CV     1
 ASSI {  456}
   (( segid "alk1" and resid 54   and name HA  ))
   (( segid "alk1" and resid 54   and name HB2 ))
      2.900     1.000     1.000 peak   456 spectrum    1 weight  0.11000E+01 volume  0.30539E-02 ppm1      4.028 ppm2      2.348 CV     1
 ASSI {  457}
   (( segid "alk1" and resid 54   and name HA  ))
   (( segid "alk1" and resid 31   and name HA1 ))
      3.400     1.400     1.400 peak   457 spectrum    1 weight  0.11000E+01 volume  0.62837E-03 ppm1      4.026 ppm2      4.427 CV     1
 ASSI {  460}
   (( segid "alk1" and resid 54   and name HA  ))
   (( segid "alk1" and resid 33   and name HN  ))
      5.000     3.100     1.000 peak   460 spectrum    1 weight  0.11000E+01 volume  0.32735E-03 ppm1      4.025 ppm2      7.832 CV     1
 ASSI {  461}
   (( segid "alk1" and resid 54   and name HA  ))
   (( segid "alk1" and resid 32   and name HN  ))
      2.800     1.000     1.000 peak   461 spectrum    1 weight  0.11000E+01 volume  0.17968E-02 ppm1      4.028 ppm2      7.732 CV     1
 ASSI {  462}
   (( segid "alk1" and resid 54   and name HA  ))
   (( segid "alk1" and resid 54   and name HN  ))
      3.200     1.300     1.300 peak   462 spectrum    1 weight  0.11000E+01 volume  0.77933E-03 ppm1      4.032 ppm2      8.119 CV     1
 ASSI {  463}
   (( segid "alk1" and resid 55   and name HB1 ))
   (( segid "alk1" and resid 56   and name HD2 ))
      6.000     6.000     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.16704E-04 ppm1      1.522 ppm2      7.302 CV     1
 ASSI {  465}
   (( segid "alk1" and resid 55   and name HB1 ))
   (( segid "alk1" and resid 55   and name HA  ))
      3.000     1.100     1.100 peak   465 spectrum    1 weight  0.11000E+01 volume  0.12003E-02 ppm1      1.522 ppm2      4.639 CV     1
 ASSI {  466}
   (( segid "alk1" and resid 55   and name HB1 ))
   (( segid "alk1" and resid 11   and name HB2 ))
      3.500     1.500     1.500 peak   466 spectrum    1 weight  0.11000E+01 volume  0.28500E-03 ppm1      1.527 ppm2      1.852 CV     1
 ASSI {  468}
   (( segid "alk1" and resid 55   and name HB1 ))
   (( segid "alk1" and resid 55   and name HG  ))
      2.500     0.800     0.800 peak   468 spectrum    1 weight  0.11000E+01 volume  0.38408E-02 ppm1      1.522 ppm2      1.339 CV     1
 ASSI {  469}
   (( segid "alk1" and resid 55   and name HB1 ))
   (( segid "alk1" and resid 55   and name HB2 ))
      2.000     0.500     0.500 peak   469 spectrum    1 weight  0.11000E+01 volume  0.71892E-02 ppm1      1.522 ppm2      1.192 CV     1
 ASSI {  470}
   (( segid "alk1" and resid 55   and name HB1 ))
   (  segid "alk1" and resid 55   and name HD1%)
      3.000     1.200     1.200 peak   470 spectrum    1 weight  0.11000E+01 volume  0.36343E-02 ppm1      1.522 ppm2      0.835 CV     1
 ASSI {  471}
   (( segid "alk1" and resid 55   and name HB2 ))
   (( segid "alk1" and resid 56   and name HD2 ))
      6.000     5.200     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.18413E-04 ppm1      1.195 ppm2      7.315 CV     1
 ASSI {  472}
   (( segid "alk1" and resid 55   and name HB2 ))
   (( segid "alk1" and resid 55   and name HG  ))
      2.700     0.900     0.900 peak   472 spectrum    1 weight  0.11000E+01 volume  0.36259E-02 ppm1      1.188 ppm2      1.335 CV     1
 ASSI {  474}
   (( segid "alk1" and resid 55   and name HB2 ))
   (  segid "alk1" and resid 55   and name HD2%)
      2.900     1.000     1.000 peak   474 spectrum    1 weight  0.11000E+01 volume  0.37409E-02 ppm1      1.190 ppm2      0.831 CV     1
 ASSI {  476}
   (( segid "alk1" and resid 57   and name HA  ))
   (( segid "alk1" and resid 57   and name HN  ))
      3.200     1.300     1.300 peak   476 spectrum    1 weight  0.11000E+01 volume  0.11331E-02 ppm1      3.322 ppm2      8.877 CV     1
 ASSI {  477}
   (( segid "alk1" and resid 57   and name HA  ))
   (( segid "alk1" and resid 60   and name HN  ))
      4.000     2.000     2.000 peak   477 spectrum    1 weight  0.11000E+01 volume  0.32454E-03 ppm1      3.322 ppm2      7.641 CV     1
 ASSI {  479}
   (( segid "alk1" and resid 57   and name HA  ))
   (( segid "alk1" and resid 33   and name HZ2 ))
      3.100     1.200     1.200 peak   479 spectrum    1 weight  0.11000E+01 volume  0.14106E-02 ppm1      3.320 ppm2      7.024 CV     1
 ASSI {  481}
   (( segid "alk1" and resid 57   and name HA  ))
   (( segid "alk1" and resid 57   and name HD1 ))
      2.800     1.000     1.000 peak   481 spectrum    1 weight  0.11000E+01 volume  0.24773E-02 ppm1      3.321 ppm2      1.964 CV     1
 ASSI {  482}
   (( segid "alk1" and resid 57   and name HA  ))
   (( segid "alk1" and resid 57   and name HD2 ))
      3.000     1.200     1.200 peak   482 spectrum    1 weight  0.11000E+01 volume  0.13385E-02 ppm1      3.322 ppm2      1.677 CV     1
 ASSI {  483}
   (( segid "alk1" and resid 57   and name HA  ))
   (( segid "alk1" and resid 57   and name HB1 ))
      3.000     1.100     1.100 peak   483 spectrum    1 weight  0.11000E+01 volume  0.27610E-02 ppm1      3.322 ppm2      1.494 CV     1
 ASSI {  484}
   (( segid "alk1" and resid 57   and name HA  ))
   (( segid "alk1" and resid 57   and name HB2 ))
      2.500     0.800     0.800 peak   484 spectrum    1 weight  0.11000E+01 volume  0.31738E-02 ppm1      3.320 ppm2      1.310 CV     1
 ASSI {  485}
   (( segid "alk1" and resid 57   and name HA  ))
   (( segid "alk1" and resid 57   and name HG1 ))
      3.200     1.300     1.300 peak   485 spectrum    1 weight  0.11000E+01 volume  0.12964E-02 ppm1      3.321 ppm2      1.185 CV     1
 ASSI {  486}
   (( segid "alk1" and resid 57   and name HA  ))
   (( segid "alk1" and resid 57   and name HG2 ))
      3.200     1.300     1.300 peak   486 spectrum    1 weight  0.11000E+01 volume  0.20095E-02 ppm1      3.319 ppm2      0.758 CV     1
 ASSI {  487}
   (( segid "alk1" and resid 58   and name HA  ))
   (( segid "alk1" and resid 58   and name HN  ))
      2.800     1.000     1.000 peak   487 spectrum    1 weight  0.11000E+01 volume  0.22611E-02 ppm1      4.033 ppm2      9.758 CV     1
 ASSI {  488}
   (( segid "alk1" and resid 58   and name HA  ))
   (( segid "alk1" and resid 60   and name HN  ))
      3.200     1.200     1.200 peak   488 spectrum    1 weight  0.11000E+01 volume  0.11656E-02 ppm1      4.032 ppm2      7.636 CV     1
 ASSI {  489}
   (( segid "alk1" and resid 58   and name HA  ))
   (( segid "alk1" and resid 59   and name HN  ))
      3.300     1.400     1.400 peak   489 spectrum    1 weight  0.11000E+01 volume  0.97487E-03 ppm1      4.033 ppm2      7.343 CV     1
 ASSI {  490}
   (( segid "alk1" and resid 58   and name HA  ))
   (( segid "alk1" and resid 58   and name HG2 ))
      3.300     1.400     1.400 peak   490 spectrum    1 weight  0.11000E+01 volume  0.20936E-02 ppm1      4.032 ppm2      2.455 CV     1
 ASSI {  493}
   (( segid "alk1" and resid 59   and name HA  ))
   (( segid "alk1" and resid 60   and name HN  ))
      3.600     1.600     1.600 peak   493 spectrum    1 weight  0.11000E+01 volume  0.51707E-03 ppm1      4.062 ppm2      7.635 CV     1
 ASSI {  494}
   (( segid "alk1" and resid 59   and name HA  ))
   (( segid "alk1" and resid 59   and name HN  ))
      3.100     1.200     1.200 peak   494 spectrum    1 weight  0.11000E+01 volume  0.11912E-02 ppm1      4.059 ppm2      7.345 CV     1
 ASSI {  495}
   (( segid "alk1" and resid 59   and name HA  ))
   (( segid "alk1" and resid 59   and name HB2 ))
      3.400     1.500     1.500 peak   495 spectrum    1 weight  0.11000E+01 volume  0.12380E-02 ppm1      4.065 ppm2      1.400 CV     1
 ASSI {  496}
   (( segid "alk1" and resid 59   and name HA  ))
   (( segid "alk1" and resid 59   and name HG  ))
      3.500     1.500     1.500 peak   496 spectrum    1 weight  0.11000E+01 volume  0.93863E-03 ppm1      4.060 ppm2      1.537 CV     1
 ASSI {  497}
   (( segid "alk1" and resid 59   and name HA  ))
   (( segid "alk1" and resid 59   and name HB1 ))
      2.700     0.900     0.900 peak   497 spectrum    1 weight  0.11000E+01 volume  0.22462E-02 ppm1      4.061 ppm2      0.884 CV     1
 ASSI {  500}
   (( segid "alk1" and resid 60   and name HA  ))
   (( segid "alk1" and resid 60   and name HB1 ))
      2.400     2.400     3.600 peak   500 spectrum    1 weight  0.11000E+01 volume  0.66082E-02 ppm1      4.257 ppm2      2.811 CV     1
 OR {  500}
   (( segid "alk1" and resid 60   and name HA  ))
   (( segid "alk1" and resid 60   and name HB2 ))
 ASSI {  501}
   (( segid "alk1" and resid 60   and name HA  ))
   (( segid "alk1" and resid 70   and name HD2 ))
      3.500     1.500     1.500 peak   501 spectrum    1 weight  0.11000E+01 volume  0.80320E-03 ppm1      4.262 ppm2      6.905 CV     1
 ASSI {  502}
   (( segid "alk1" and resid 65   and name HA  ))
   (( segid "alk1" and resid 66   and name HN  ))
      3.200     1.300     1.300 peak   502 spectrum    1 weight  0.11000E+01 volume  0.13851E-02 ppm1      4.423 ppm2      8.346 CV     1
 ASSI {  503}
   (( segid "alk1" and resid 65   and name HA  ))
   (( segid "alk1" and resid 65   and name HN  ))
      3.000     1.100     1.100 peak   503 spectrum    1 weight  0.11000E+01 volume  0.16938E-02 ppm1      4.417 ppm2      7.954 CV     1
 ASSI {  504}
   (( segid "alk1" and resid 66   and name HA  ))
   (( segid "alk1" and resid 68   and name HN  ))
      3.700     1.700     1.700 peak   504 spectrum    1 weight  0.11000E+01 volume  0.77849E-03 ppm1      4.168 ppm2      7.779 CV     1
 ASSI {  506}
   (( segid "alk1" and resid 69   and name HA  ))
   (  segid "alk1" and resid 86   and name HD2%)
      2.900     2.900     3.100 peak   506 spectrum    1 weight  0.11000E+01 volume  0.32144E-02 ppm1      4.905 ppm2      0.764 CV     1
 ASSI {  507}
   (( segid "alk1" and resid 69   and name HA  ))
   (  segid "alk1" and resid 68   and name HG1%)
      2.600     2.600     3.400 peak   507 spectrum    1 weight  0.11000E+01 volume  0.65036E-02 ppm1      4.906 ppm2      0.928 CV     1
 ASSI {  509}
   (( segid "alk1" and resid 70   and name HA  ))
   (( segid "alk1" and resid 38   and name HN  ))
      3.800     1.800     1.800 peak   509 spectrum    1 weight  0.11000E+01 volume  0.13672E-02 ppm1      5.052 ppm2      8.452 CV     1
 ASSI {  511}
   (( segid "alk1" and resid 70   and name HA  ))
   (( segid "alk1" and resid 37   and name HA  ))
      2.500     0.800     0.800 peak   511 spectrum    1 weight  0.11000E+01 volume  0.35951E-02 ppm1      5.050 ppm2      4.791 CV     1
 ASSI {  512}
   (( segid "alk1" and resid 70   and name HA  ))
   (( segid "alk1" and resid 70   and name HB1 ))
      2.600     0.900     0.900 peak   512 spectrum    1 weight  0.11000E+01 volume  0.25561E-02 ppm1      5.051 ppm2      3.341 CV     1
 ASSI {  513}
   (( segid "alk1" and resid 70   and name HA  ))
   (( segid "alk1" and resid 70   and name HB2 ))
      2.600     0.800     0.800 peak   513 spectrum    1 weight  0.11000E+01 volume  0.34858E-02 ppm1      5.054 ppm2      3.000 CV     1
 ASSI {  518}
   (( segid "alk1" and resid 72   and name HA  ))
   (( segid "alk1" and resid 72   and name HN  ))
      3.100     1.200     1.200 peak   518 spectrum    1 weight  0.11000E+01 volume  0.10663E-02 ppm1      5.798 ppm2      7.901 CV     1
 ASSI {  519}
   (( segid "alk1" and resid 72   and name HA  ))
   (( segid "alk1" and resid 71   and name HA  ))
      5.300     3.500     0.700 peak   519 spectrum    1 weight  0.11000E+01 volume  0.94001E-04 ppm1      5.801 ppm2      4.941 CV     1
 ASSI {  520}
   (( segid "alk1" and resid 72   and name HA  ))
   (( segid "alk1" and resid 73   and name HA  ))
      5.900     5.900     0.100 peak   520 spectrum    1 weight  0.11000E+01 volume  0.62294E-04 ppm1      5.788 ppm2      4.815 CV     1
 ASSI {  522}
   (( segid "alk1" and resid 72   and name HA  ))
   (( segid "alk1" and resid 73   and name HB1 ))
      5.600     3.900     0.400 peak   522 spectrum    1 weight  0.11000E+01 volume  0.15301E-03 ppm1      5.792 ppm2      3.169 CV     1
 ASSI {  523}
   (( segid "alk1" and resid 72   and name HA  ))
   (( segid "alk1" and resid 72   and name HB2 ))
      3.200     1.300     1.300 peak   523 spectrum    1 weight  0.11000E+01 volume  0.18597E-02 ppm1      5.794 ppm2      2.705 CV     1
 ASSI {  524}
   (( segid "alk1" and resid 72   and name HA  ))
   (( segid "alk1" and resid 72   and name HB1 ))
      2.400     0.700     0.700 peak   524 spectrum    1 weight  0.11000E+01 volume  0.34955E-02 ppm1      5.796 ppm2      2.895 CV     1
 ASSI {  527}
   (( segid "alk1" and resid 72   and name HA  ))
   (  segid "alk1" and resid 35   and name HG2%)
      3.200     1.300     1.300 peak   527 spectrum    1 weight  0.11000E+01 volume  0.10673E-02 ppm1      5.794 ppm2      1.235 CV     1
 ASSI {  529}
   (( segid "alk1" and resid 72   and name HB2 ))
   (( segid "alk1" and resid 72   and name HN  ))
      3.100     1.200     1.200 peak   529 spectrum    1 weight  0.11000E+01 volume  0.14760E-02 ppm1      2.705 ppm2      7.900 CV     1
 ASSI {  530}
   (( segid "alk1" and resid 72   and name HB2 ))
   (( segid "alk1" and resid 33   and name HZ2 ))
      4.000     4.000     2.000 peak   530 spectrum    1 weight  0.11000E+01 volume  0.51781E-03 ppm1      2.697 ppm2      7.064 CV     1
 ASSI {  532}
   (( segid "alk1" and resid 72   and name HB2 ))
   (( segid "alk1" and resid 71   and name HA  ))
      3.300     3.300     2.700 peak   532 spectrum    1 weight  0.11000E+01 volume  0.26231E-03 ppm1      2.705 ppm2      4.940 CV     1
 ASSI {  533}
   (( segid "alk1" and resid 72   and name HB2 ))
   (( segid "alk1" and resid 60   and name HA  ))
      3.200     3.200     2.800 peak   533 spectrum    1 weight  0.11000E+01 volume  0.30901E-03 ppm1      2.699 ppm2      4.263 CV     1
 ASSI {  534}
   (( segid "alk1" and resid 72   and name HB2 ))
   (( segid "alk1" and resid 33   and name HB1 ))
      5.500     3.800     0.500 peak   534 spectrum    1 weight  0.11000E+01 volume  0.10344E-03 ppm1      2.707 ppm2      3.532 CV     1
 ASSI {  535}
   (( segid "alk1" and resid 72   and name HB2 ))
   (( segid "alk1" and resid 72   and name HB1 ))
      1.900     0.400     0.400 peak   535 spectrum    1 weight  0.11000E+01 volume  0.11868E-01 ppm1      2.702 ppm2      2.892 CV     1
 ASSI {  537}
   (( segid "alk1" and resid 72   and name HB2 ))
   (( segid "alk1" and resid 33   and name HB2 ))
      5.400     3.600     0.600 peak   537 spectrum    1 weight  0.11000E+01 volume  0.66732E-04 ppm1      2.695 ppm2      3.303 CV     1
 ASSI {  538}
   (( segid "alk1" and resid 73   and name HB2 ))
   (( segid "alk1" and resid 73   and name HN  ))
      3.600     1.600     1.600 peak   538 spectrum    1 weight  0.11000E+01 volume  0.38304E-03 ppm1      3.555 ppm2      8.842 CV     1
 ASSI {  540}
   (( segid "alk1" and resid 73   and name HB2 ))
   (( segid "alk1" and resid 75   and name HN  ))
      4.700     2.800     1.300 peak   540 spectrum    1 weight  0.11000E+01 volume  0.48787E-03 ppm1      3.564 ppm2      7.640 CV     1
 ASSI {  541}
   (( segid "alk1" and resid 73   and name HB2 ))
   (  segid "alk1" and resid 71   and name HE% )
      3.100     1.200     1.200 peak   541 spectrum    1 weight  0.11000E+01 volume  0.11587E-02 ppm1      3.561 ppm2      6.569 CV     1
 ASSI {  542}
   (( segid "alk1" and resid 73   and name HB2 ))
   (( segid "alk1" and resid 74   and name HA  ))
      5.200     3.300     0.800 peak   542 spectrum    1 weight  0.11000E+01 volume  0.23100E-03 ppm1      3.559 ppm2      5.169 CV     1
 ASSI {  543}
   (( segid "alk1" and resid 73   and name HB2 ))
   (( segid "alk1" and resid 73   and name HA  ))
      2.700     0.900     0.900 peak   543 spectrum    1 weight  0.11000E+01 volume  0.26197E-02 ppm1      3.560 ppm2      4.786 CV     1
 ASSI {  544}
   (( segid "alk1" and resid 73   and name HB2 ))
   (( segid "alk1" and resid 78   and name HB1 ))
      3.500     1.500     1.500 peak   544 spectrum    1 weight  0.11000E+01 volume  0.73880E-03 ppm1      3.560 ppm2      3.824 CV     1
 ASSI {  545}
   (( segid "alk1" and resid 74   and name HA  ))
   (( segid "alk1" and resid 34   and name HN  ))
      3.800     1.800     1.800 peak   545 spectrum    1 weight  0.11000E+01 volume  0.10902E-02 ppm1      5.166 ppm2      9.307 CV     1
 ASSI {  548}
   (( segid "alk1" and resid 74   and name HA  ))
   (  segid "alk1" and resid 15   and name HG2%)
      2.700     2.700     3.300 peak   548 spectrum    1 weight  0.11000E+01 volume  0.38727E-02 ppm1      5.165 ppm2      0.789 CV     1
 ASSI {  549}
   (( segid "alk1" and resid 74   and name HA  ))
   (( segid "alk1" and resid 74   and name HB2 ))
      2.600     0.800     0.800 peak   549 spectrum    1 weight  0.11000E+01 volume  0.43433E-02 ppm1      5.164 ppm2      2.666 CV     1
 ASSI {  550}
   (( segid "alk1" and resid 74   and name HA  ))
   (( segid "alk1" and resid 74   and name HB1 ))
      2.500     0.800     0.800 peak   550 spectrum    1 weight  0.11000E+01 volume  0.55056E-02 ppm1      5.165 ppm2      2.914 CV     1
 ASSI {  551}
   (( segid "alk1" and resid 74   and name HA  ))
   (( segid "alk1" and resid 33   and name HB1 ))
      3.100     1.200     1.200 peak   551 spectrum    1 weight  0.11000E+01 volume  0.11344E-02 ppm1      5.166 ppm2      3.533 CV     1
 ASSI {  552}
   (( segid "alk1" and resid 74   and name HA  ))
   (( segid "alk1" and resid 33   and name HB2 ))
      3.100     1.200     1.200 peak   552 spectrum    1 weight  0.11000E+01 volume  0.13084E-02 ppm1      5.163 ppm2      3.307 CV     1
 ASSI {  553}
   (( segid "alk1" and resid 74   and name HA  ))
   (( segid "alk1" and resid 34   and name HB2 ))
      4.300     4.300     1.700 peak   553 spectrum    1 weight  0.11000E+01 volume  0.50654E-03 ppm1      5.163 ppm2      3.187 CV     1
 ASSI {  555}
   (( segid "alk1" and resid 74   and name HA  ))
   (( segid "alk1" and resid 75   and name HA  ))
      3.800     1.800     1.800 peak   555 spectrum    1 weight  0.11000E+01 volume  0.53283E-03 ppm1      5.160 ppm2      4.894 CV     1
 ASSI {  556}
   (( segid "alk1" and resid 75   and name HA  ))
   (  segid "alk1" and resid 15   and name HG2%)
      2.600     0.900     0.900 peak   556 spectrum    1 weight  0.11000E+01 volume  0.39169E-02 ppm1      4.896 ppm2      0.785 CV     1
 ASSI {  558}
   (( segid "alk1" and resid 75   and name HA  ))
   (( segid "alk1" and resid 75   and name HB2 ))
      2.600     0.800     0.800 peak   558 spectrum    1 weight  0.11000E+01 volume  0.54184E-02 ppm1      4.899 ppm2      4.063 CV     1
 ASSI {  561}
   (( segid "alk1" and resid 75   and name HA  ))
   (( segid "alk1" and resid 76   and name HN  ))
      2.400     0.700     0.700 peak   561 spectrum    1 weight  0.11000E+01 volume  0.52964E-02 ppm1      4.900 ppm2      8.315 CV     1
 ASSI {  562}
   (( segid "alk1" and resid 75   and name HB1 ))
   (  segid "alk1" and resid 15   and name HG1%)
      4.700     2.800     1.300 peak   562 spectrum    1 weight  0.11000E+01 volume  0.25394E-03 ppm1      3.853 ppm2      0.779 CV     1
 OR {  562}
   (( segid "alk1" and resid 75   and name HB1 ))
   (  segid "alk1" and resid 15   and name HG2%)
 ASSI {  563}
   (( segid "alk1" and resid 75   and name HB1 ))
   (( segid "alk1" and resid 75   and name HN  ))
      3.600     1.600     1.600 peak   563 spectrum    1 weight  0.11000E+01 volume  0.96341E-03 ppm1      3.851 ppm2      7.641 CV     1
 ASSI {  565}
   (( segid "alk1" and resid 75   and name HB2 ))
   (  segid "alk1" and resid 15   and name HG1%)
      3.900     1.900     1.900 peak   565 spectrum    1 weight  0.11000E+01 volume  0.70205E-03 ppm1      4.056 ppm2      0.791 CV     1
 OR {  565}
   (( segid "alk1" and resid 75   and name HB2 ))
   (  segid "alk1" and resid 15   and name HG2%)
 ASSI {  566}
   (( segid "alk1" and resid 75   and name HB2 ))
   (( segid "alk1" and resid 76   and name HB1 ))
      4.700     2.800     1.300 peak   566 spectrum    1 weight  0.11000E+01 volume  0.31566E-03 ppm1      4.061 ppm2      3.071 CV     1
 ASSI {  568}
   (( segid "alk1" and resid 77   and name HA  ))
   (( segid "alk1" and resid 77   and name HB1 ))
      2.600     0.800     0.800 peak   568 spectrum    1 weight  0.11000E+01 volume  0.28299E-02 ppm1      3.772 ppm2      1.584 CV     1
 OR {  568}
   (( segid "alk1" and resid 77   and name HA  ))
   (( segid "alk1" and resid 77   and name HB2 ))
 ASSI {  570}
   (( segid "alk1" and resid 77   and name HA  ))
   (( segid "alk1" and resid 17   and name HA  ))
      2.700     0.900     0.900 peak   570 spectrum    1 weight  0.11000E+01 volume  0.17113E-02 ppm1      3.771 ppm2      4.879 CV     1
 ASSI {  571}
   (( segid "alk1" and resid 77   and name HA  ))
   (( segid "alk1" and resid 76   and name HA  ))
      5.600     5.600     0.400 peak   571 spectrum    1 weight  0.11000E+01 volume  0.18765E-03 ppm1      3.765 ppm2      4.562 CV     1
 ASSI {  572}
   (( segid "alk1" and resid 77   and name HA  ))
   (( segid "alk1" and resid 78   and name HN  ))
      4.000     2.000     2.000 peak   572 spectrum    1 weight  0.11000E+01 volume  0.20851E-03 ppm1      3.765 ppm2      8.482 CV     1
 ASSI {  577}
   (( segid "alk1" and resid 78   and name HB1 ))
   (( segid "alk1" and resid 78   and name HA  ))
      2.700     0.900     0.900 peak   577 spectrum    1 weight  0.11000E+01 volume  0.46125E-02 ppm1      3.840 ppm2      4.429 CV     1
 ASSI {  578}
   (( segid "alk1" and resid 78   and name HB1 ))
   (( segid "alk1" and resid 78   and name HB2 ))
      1.900     0.400     0.400 peak   578 spectrum    1 weight  0.11000E+01 volume  0.81872E-02 ppm1      3.836 ppm2      3.411 CV     1
 ASSI {  579}
   (( segid "alk1" and resid 78   and name HB2 ))
   (( segid "alk1" and resid 78   and name HN  ))
      2.800     1.000     1.000 peak   579 spectrum    1 weight  0.11000E+01 volume  0.23398E-02 ppm1      3.408 ppm2      8.486 CV     1
 ASSI {  581}
   (( segid "alk1" and resid 78   and name HB2 ))
   (( segid "alk1" and resid 78   and name HA  ))
      2.400     0.700     0.700 peak   581 spectrum    1 weight  0.11000E+01 volume  0.45770E-02 ppm1      3.407 ppm2      4.432 CV     1
 ASSI {  582}
   (( segid "alk1" and resid 78   and name HB2 ))
   (( segid "alk1" and resid 73   and name HB1 ))
      3.800     3.800     2.200 peak   582 spectrum    1 weight  0.11000E+01 volume  0.60034E-03 ppm1      3.408 ppm2      3.195 CV     1
 ASSI {  585}
   (( segid "alk1" and resid 78   and name HB2 ))
   (( segid "alk1" and resid 75   and name HB2 ))
      3.800     1.800     1.800 peak   585 spectrum    1 weight  0.11000E+01 volume  0.21942E-03 ppm1      3.413 ppm2      4.050 CV     1
 ASSI {  586}
   (( segid "alk1" and resid 79   and name HA  ))
   (  segid "alk1" and resid 82   and name HG2%)
      4.200     2.200     1.800 peak   586 spectrum    1 weight  0.11000E+01 volume  0.75784E-03 ppm1      4.425 ppm2      0.203 CV     1
 ASSI {  587}
   (( segid "alk1" and resid 79   and name HA  ))
   (  segid "alk1" and resid 36   and name HG1%)
      3.000     1.100     1.100 peak   587 spectrum    1 weight  0.11000E+01 volume  0.28109E-02 ppm1      4.425 ppm2      1.128 CV     1
 ASSI {  588}
   (( segid "alk1" and resid 79   and name HA  ))
   (( segid "alk1" and resid 82   and name HB  ))
      2.700     0.900     0.900 peak   588 spectrum    1 weight  0.11000E+01 volume  0.16688E-02 ppm1      4.424 ppm2      1.531 CV     1
 ASSI {  589}
   (( segid "alk1" and resid 79   and name HA  ))
   (( segid "alk1" and resid 79   and name HB1 ))
      2.400     0.700     0.700 peak   589 spectrum    1 weight  0.11000E+01 volume  0.36246E-02 ppm1      4.424 ppm2      3.275 CV     1
 ASSI {  590}
   (( segid "alk1" and resid 79   and name HA  ))
   (( segid "alk1" and resid 34   and name HB1 ))
      3.200     1.300     1.300 peak   590 spectrum    1 weight  0.11000E+01 volume  0.15396E-02 ppm1      4.420 ppm2      3.173 CV     1
 OR {  590}
   (( segid "alk1" and resid 79   and name HA  ))
   (( segid "alk1" and resid 34   and name HB2 ))
 ASSI {  591}
   (( segid "alk1" and resid 79   and name HA  ))
   (( segid "alk1" and resid 79   and name HN  ))
      2.800     1.000     1.000 peak   591 spectrum    1 weight  0.11000E+01 volume  0.16944E-02 ppm1      4.419 ppm2      8.433 CV     1
 ASSI {  592}
   (( segid "alk1" and resid 80   and name HA  ))
   (( segid "alk1" and resid 81   and name HN  ))
      3.000     1.100     1.100 peak   592 spectrum    1 weight  0.11000E+01 volume  0.18408E-02 ppm1      4.166 ppm2      8.451 CV     1
 ASSI {  593}
   (( segid "alk1" and resid 80   and name HA  ))
   (( segid "alk1" and resid 80   and name HN  ))
      2.800     1.000     1.000 peak   593 spectrum    1 weight  0.11000E+01 volume  0.21989E-02 ppm1      4.167 ppm2      7.766 CV     1
 ASSI {  594}
   (( segid "alk1" and resid 80   and name HA  ))
   (( segid "alk1" and resid 80   and name HD2 ))
      4.800     2.900     1.200 peak   594 spectrum    1 weight  0.11000E+01 volume  0.13192E-03 ppm1      4.163 ppm2      7.270 CV     1
 ASSI {  595}
   (( segid "alk1" and resid 80   and name HA  ))
   (  segid "alk1" and resid 18   and name HG2%)
      3.200     1.300     1.300 peak   595 spectrum    1 weight  0.11000E+01 volume  0.23627E-02 ppm1      4.167 ppm2      1.221 CV     1
 ASSI {  596}
   (( segid "alk1" and resid 80   and name HA  ))
   (( segid "alk1" and resid 80   and name HB1 ))
      2.700     0.900     0.900 peak   596 spectrum    1 weight  0.11000E+01 volume  0.48673E-02 ppm1      4.166 ppm2      3.202 CV     1
 ASSI {  597}
   (( segid "alk1" and resid 80   and name HA  ))
   (( segid "alk1" and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak   597 spectrum    1 weight  0.11000E+01 volume  0.40017E-02 ppm1      4.167 ppm2      3.383 CV     1
 ASSI {  598}
   (( segid "alk1" and resid 80   and name HA  ))
   (( segid "alk1" and resid 18   and name HB  ))
      2.700     0.900     0.900 peak   598 spectrum    1 weight  0.11000E+01 volume  0.23257E-02 ppm1      4.166 ppm2      3.482 CV     1
 ASSI {  600}
   (( segid "alk1" and resid 82   and name HA  ))
   (( segid "alk1" and resid 82   and name HB  ))
      2.700     0.900     0.900 peak   600 spectrum    1 weight  0.11000E+01 volume  0.22137E-02 ppm1      3.845 ppm2      1.534 CV     1
 ASSI {  601}
   (( segid "alk1" and resid 82   and name HA  ))
   (( segid "alk1" and resid 81   and name HB1 ))
      5.000     3.100     1.000 peak   601 spectrum    1 weight  0.11000E+01 volume  0.12136E-03 ppm1      3.842 ppm2      2.726 CV     1
 ASSI {  603}
   (( segid "alk1" and resid 83   and name HB1 ))
   (( segid "alk1" and resid 85   and name HN  ))
      4.300     2.300     1.700 peak   603 spectrum    1 weight  0.11000E+01 volume  0.23232E-03 ppm1      3.647 ppm2      7.814 CV     1
 ASSI {  604}
   (( segid "alk1" and resid 83   and name HB1 ))
   (( segid "alk1" and resid 83   and name HA  ))
      2.500     0.800     0.800 peak   604 spectrum    1 weight  0.11000E+01 volume  0.36132E-02 ppm1      3.648 ppm2      4.847 CV     1
 ASSI {  605}
   (( segid "alk1" and resid 83   and name HB1 ))
   (  segid "alk1" and resid 85   and name HG1%)
      3.300     1.400     1.400 peak   605 spectrum    1 weight  0.11000E+01 volume  0.94601E-03 ppm1      3.645 ppm2      0.785 CV     1
 ASSI {  606}
   (( segid "alk1" and resid 83   and name HB1 ))
   (( segid "alk1" and resid 84   and name HB2 ))
      4.000     2.000     2.000 peak   606 spectrum    1 weight  0.11000E+01 volume  0.92985E-03 ppm1      3.647 ppm2      1.523 CV     1
 OR {  606}
   (( segid "alk1" and resid 83   and name HB1 ))
   (( segid "alk1" and resid 84   and name HB1 ))
 ASSI {  607}
   (( segid "alk1" and resid 83   and name HB1 ))
   (( segid "alk1" and resid 92   and name HG2 ))
      3.600     1.700     1.700 peak   607 spectrum    1 weight  0.11000E+01 volume  0.60396E-03 ppm1      3.642 ppm2      1.992 CV     1
 OR {  607}
   (( segid "alk1" and resid 83   and name HB1 ))
   (( segid "alk1" and resid 92   and name HG1 ))
 ASSI {  608}
   (( segid "alk1" and resid 83   and name HB2 ))
   (  segid "alk1" and resid 85   and name HG1%)
      3.600     1.600     1.600 peak   608 spectrum    1 weight  0.11000E+01 volume  0.87557E-03 ppm1      3.576 ppm2      0.784 CV     1
 ASSI {  609}
   (( segid "alk1" and resid 83   and name HB2 ))
   (( segid "alk1" and resid 84   and name HB2 ))
      3.800     1.800     1.800 peak   609 spectrum    1 weight  0.11000E+01 volume  0.79756E-03 ppm1      3.578 ppm2      1.513 CV     1
 OR {  609}
   (( segid "alk1" and resid 83   and name HB2 ))
   (( segid "alk1" and resid 84   and name HB1 ))
 ASSI {  610}
   (( segid "alk1" and resid 83   and name HB2 ))
   (( segid "alk1" and resid 92   and name HG2 ))
      3.900     1.900     1.900 peak   610 spectrum    1 weight  0.11000E+01 volume  0.58073E-03 ppm1      3.563 ppm2      2.001 CV     1
 OR {  610}
   (( segid "alk1" and resid 83   and name HB2 ))
   (( segid "alk1" and resid 92   and name HG1 ))
 ASSI {  611}
   (( segid "alk1" and resid 83   and name HB2 ))
   (( segid "alk1" and resid 83   and name HA  ))
      2.800     1.000     1.000 peak   611 spectrum    1 weight  0.11000E+01 volume  0.34576E-02 ppm1      3.576 ppm2      4.847 CV     1
 ASSI {  614}
   (( segid "alk1" and resid 83   and name HB2 ))
   (( segid "alk1" and resid 84   and name HN  ))
      4.300     2.400     1.700 peak   614 spectrum    1 weight  0.11000E+01 volume  0.43507E-03 ppm1      3.578 ppm2      9.636 CV     1
 ASSI {  615}
   (( segid "alk1" and resid 84   and name HA  ))
   (( segid "alk1" and resid 84   and name HG  ))
      3.100     1.200     1.200 peak   615 spectrum    1 weight  0.11000E+01 volume  0.13123E-02 ppm1      4.358 ppm2      1.415 CV     1
 ASSI {  616}
   (( segid "alk1" and resid 84   and name HA  ))
   (( segid "alk1" and resid 84   and name HB1 ))
      2.500     0.800     0.800 peak   616 spectrum    1 weight  0.11000E+01 volume  0.47081E-02 ppm1      4.363 ppm2      1.538 CV     1
 OR {  616}
   (( segid "alk1" and resid 84   and name HA  ))
   (( segid "alk1" and resid 84   and name HB2 ))
 ASSI {  619}
   (( segid "alk1" and resid 85   and name HA  ))
   (( segid "alk1" and resid 84   and name HB1 ))
      2.800     2.800     3.200 peak   619 spectrum    1 weight  0.11000E+01 volume  0.15303E-02 ppm1      3.941 ppm2      1.517 CV     1
 OR {  619}
   (( segid "alk1" and resid 85   and name HA  ))
   (( segid "alk1" and resid 84   and name HB2 ))
 ASSI {  621}
   (( segid "alk1" and resid 86   and name HA  ))
   (  segid "alk1" and resid 86   and name HD2%)
      2.800     1.000     1.000 peak   621 spectrum    1 weight  0.11000E+01 volume  0.33009E-02 ppm1      4.291 ppm2      0.752 CV     1
 ASSI {  622}
   (( segid "alk1" and resid 86   and name HA  ))
   (( segid "alk1" and resid 86   and name HB1 ))
      2.700     0.900     0.900 peak   622 spectrum    1 weight  0.11000E+01 volume  0.32321E-02 ppm1      4.292 ppm2      1.508 CV     1
 OR {  622}
   (( segid "alk1" and resid 86   and name HA  ))
   (( segid "alk1" and resid 86   and name HB2 ))
 ASSI {  623}
   (( segid "alk1" and resid 87   and name HA  ))
   (( segid "alk1" and resid 87   and name HN  ))
      2.700     0.900     0.900 peak   623 spectrum    1 weight  0.11000E+01 volume  0.29629E-02 ppm1      4.180 ppm2      8.057 CV     1
 ASSI {  624}
   (( segid "alk1" and resid 87   and name HA  ))
   (( segid "alk1" and resid 87   and name HG2 ))
      2.900     1.100     1.100 peak   624 spectrum    1 weight  0.11000E+01 volume  0.24563E-02 ppm1      4.180 ppm2      2.198 CV     1
 OR {  624}
   (( segid "alk1" and resid 87   and name HA  ))
   (( segid "alk1" and resid 87   and name HG1 ))
 ASSI {  625}
   (( segid "alk1" and resid 87   and name HA  ))
   (  segid "alk1" and resid 88   and name HB% )
      4.100     2.100     1.900 peak   625 spectrum    1 weight  0.11000E+01 volume  0.53410E-03 ppm1      4.181 ppm2      1.345 CV     1
 ASSI {  626}
   (( segid "alk1" and resid 89   and name HA  ))
   (  segid "alk1" and resid 88   and name HB% )
      3.200     1.300     1.300 peak   626 spectrum    1 weight  0.11000E+01 volume  0.28045E-03 ppm1      4.262 ppm2      1.324 CV     1
 ASSI {  627}
   (( segid "alk1" and resid 89   and name HA  ))
   (( segid "alk1" and resid 92   and name HG1 ))
      3.500     3.500     2.500 peak   627 spectrum    1 weight  0.11000E+01 volume  0.82636E-03 ppm1      4.264 ppm2      1.997 CV     1
 OR {  627}
   (( segid "alk1" and resid 89   and name HA  ))
   (( segid "alk1" and resid 92   and name HG2 ))
 ASSI {  628}
   (( segid "alk1" and resid 89   and name HA  ))
   (( segid "alk1" and resid 89   and name HN  ))
      3.000     1.100     1.100 peak   628 spectrum    1 weight  0.11000E+01 volume  0.16398E-02 ppm1      4.261 ppm2      7.991 CV     1
 ASSI {  629}
   (( segid "alk1" and resid 89   and name HB  ))
   (( segid "alk1" and resid 90   and name HG1 ))
      4.300     2.300     1.700 peak   629 spectrum    1 weight  0.11000E+01 volume  0.30781E-03 ppm1      4.145 ppm2      2.375 CV     1
 OR {  629}
   (( segid "alk1" and resid 89   and name HB  ))
   (( segid "alk1" and resid 90   and name HG2 ))
 ASSI {  631}
   (( segid "alk1" and resid 89   and name HB  ))
   (( segid "alk1" and resid 90   and name HN  ))
      3.400     1.400     1.400 peak   631 spectrum    1 weight  0.11000E+01 volume  0.15093E-02 ppm1      4.145 ppm2      8.225 CV     1
 ASSI {  644}
   (( segid "alk1" and resid 14   and name HB1 ))
   (( segid "alk1" and resid 15   and name HN  ))
      3.300     1.300     1.300 peak   644 spectrum    1 weight  0.11000E+01 volume  0.78975E-03 ppm1      1.573 ppm2      9.112 CV     1
 ASSI {  645}
   (( segid "alk1" and resid 14   and name HB1 ))
   (( segid "alk1" and resid 14   and name HA  ))
      2.800     1.000     1.000 peak   645 spectrum    1 weight  0.11000E+01 volume  0.17181E-02 ppm1      1.576 ppm2      4.517 CV     1
 ASSI {  646}
   (( segid "alk1" and resid 14   and name HB1 ))
   (  segid "alk1" and resid 14   and name HD1%)
      2.800     1.000     1.000 peak   646 spectrum    1 weight  0.11000E+01 volume  0.27510E-02 ppm1      1.576 ppm2      0.760 CV     1
 ASSI {  649}
   (( segid "alk1" and resid 14   and name HB2 ))
   (  segid "alk1" and resid 14   and name HD1%)
      2.800     1.000     1.000 peak   649 spectrum    1 weight  0.11000E+01 volume  0.23888E-02 ppm1      1.219 ppm2      0.761 CV     1
 ASSI {  650}
   (( segid "alk1" and resid 14   and name HB2 ))
   (( segid "alk1" and resid 14   and name HA  ))
      3.300     1.400     1.400 peak   650 spectrum    1 weight  0.11000E+01 volume  0.11443E-02 ppm1      1.219 ppm2      4.514 CV     1
 ASSI {  656}
   (( segid "alk1" and resid 38   and name HB1 ))
   (( segid "alk1" and resid 38   and name HA  ))
      3.300     1.400     1.400 peak   656 spectrum    1 weight  0.11000E+01 volume  0.12036E-02 ppm1      1.670 ppm2      4.890 CV     1
 ASSI {  657}
   (( segid "alk1" and resid 38   and name HB1 ))
   (( segid "alk1" and resid 69   and name HB2 ))
      3.400     1.500     1.500 peak   657 spectrum    1 weight  0.11000E+01 volume  0.65794E-03 ppm1      1.668 ppm2      2.971 CV     1
 ASSI {  658}
   (( segid "alk1" and resid 38   and name HB1 ))
   (  segid "alk1" and resid 38   and name HD2%)
      2.600     0.800     0.800 peak   658 spectrum    1 weight  0.11000E+01 volume  0.31723E-02 ppm1      1.670 ppm2      0.770 CV     1
 ASSI {  659}
   (( segid "alk1" and resid 38   and name HB1 ))
   (( segid "alk1" and resid 38   and name HB2 ))
      1.900     0.400     0.400 peak   659 spectrum    1 weight  0.11000E+01 volume  0.74718E-02 ppm1      1.670 ppm2      1.446 CV     1
 ASSI {  662}
   (( segid "alk1" and resid 38   and name HB2 ))
   (( segid "alk1" and resid 38   and name HA  ))
      2.900     1.000     1.000 peak   662 spectrum    1 weight  0.11000E+01 volume  0.10587E-02 ppm1      1.451 ppm2      4.887 CV     1
 ASSI {  664}
   (( segid "alk1" and resid 83   and name HB1 ))
   (  segid "alk1" and resid 84   and name HD2%)
      5.600     3.900     0.400 peak   664 spectrum    1 weight  0.11000E+01 volume  0.90987E-04 ppm1      3.651 ppm2      0.558 CV     1
 ASSI {  665}
   (( segid "alk1" and resid 83   and name HB1 ))
   (  segid "alk1" and resid 82   and name HG2%)
      6.000     4.600     0.000 peak   665 spectrum    1 weight  0.11000E+01 volume  0.11110E-03 ppm1      3.645 ppm2      0.198 CV     1
 ASSI {  666}
   (( segid "alk1" and resid 22   and name HD1 ))
   (( segid "alk1" and resid 21   and name HN  ))
      3.400     1.400     1.400 peak   666 spectrum    1 weight  0.11000E+01 volume  0.27255E-03 ppm1      3.343 ppm2      7.764 CV     1
 ASSI {  667}
   (( segid "alk1" and resid 22   and name HD1 ))
   (( segid "alk1" and resid 23   and name HE1 ))
      6.000     4.800     0.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.10386E-03 ppm1      3.332 ppm2      8.068 CV     1
 ASSI {  668}
   (( segid "alk1" and resid 22   and name HD1 ))
   (( segid "alk1" and resid 23   and name HN  ))
      6.000     5.400     0.000 peak   668 spectrum    1 weight  0.11000E+01 volume  0.59736E-04 ppm1      3.335 ppm2      7.896 CV     1
 ASSI {  671}
   (( segid "alk1" and resid 22   and name HD1 ))
   (( segid "alk1" and resid 23   and name HA  ))
      4.500     4.500     1.500 peak   671 spectrum    1 weight  0.11000E+01 volume  0.13031E-02 ppm1      3.338 ppm2      4.631 CV     1
 ASSI {  673}
   (( segid "alk1" and resid 22   and name HD1 ))
   (( segid "alk1" and resid 19   and name HB1 ))
      2.400     2.400     3.600 peak   673 spectrum    1 weight  0.11000E+01 volume  0.54580E-02 ppm1      3.341 ppm2      3.806 CV     1
 ASSI {  676}
   (( segid "alk1" and resid 22   and name HD1 ))
   (( segid "alk1" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak   676 spectrum    1 weight  0.11000E+01 volume  0.15794E-02 ppm1      3.349 ppm2      3.062 CV     1
 ASSI {  677}
   (( segid "alk1" and resid 22   and name HD1 ))
   (( segid "alk1" and resid 22   and name HB1 ))
      4.000     2.000     2.000 peak   677 spectrum    1 weight  0.11000E+01 volume  0.64191E-03 ppm1      3.339 ppm2      2.276 CV     1
 ASSI {  679}
   (( segid "alk1" and resid 22   and name HD1 ))
   (( segid "alk1" and resid 22   and name HG1 ))
      2.400     0.700     0.700 peak   679 spectrum    1 weight  0.11000E+01 volume  0.23671E-02 ppm1      3.340 ppm2      1.709 CV     1
 ASSI {  680}
   (( segid "alk1" and resid 22   and name HD1 ))
   (( segid "alk1" and resid 22   and name HB2 ))
      4.300     2.300     1.700 peak   680 spectrum    1 weight  0.11000E+01 volume  0.81764E-03 ppm1      3.342 ppm2      1.468 CV     1
 ASSI {  681}
   (( segid "alk1" and resid 22   and name HD1 ))
   (( segid "alk1" and resid 19   and name HB2 ))
      6.000     6.000     0.000 peak   681 spectrum    1 weight  0.11000E+01 volume  0.63387E-04 ppm1      3.328 ppm2      1.578 CV     1
 ASSI {  682}
   (( segid "alk1" and resid 22   and name HD1 ))
   (( segid "alk1" and resid 20   and name HB1 ))
      5.000     5.000     1.000 peak   682 spectrum    1 weight  0.11000E+01 volume  0.10911E-03 ppm1      3.351 ppm2      2.020 CV     1
 ASSI {  684}
   (( segid "alk1" and resid 22   and name HD2 ))
   (( segid "alk1" and resid 23   and name HD2 ))
      6.000     5.200     0.000 peak   684 spectrum    1 weight  0.11000E+01 volume  0.49602E-04 ppm1      3.192 ppm2      7.052 CV     1
 ASSI {  685}
   (( segid "alk1" and resid 22   and name HD2 ))
   (( segid "alk1" and resid 23   and name HE1 ))
      5.100     3.300     0.900 peak   685 spectrum    1 weight  0.11000E+01 volume  0.27125E-03 ppm1      3.188 ppm2      8.069 CV     1
 ASSI {  687}
   (( segid "alk1" and resid 22   and name HD2 ))
   (( segid "alk1" and resid 23   and name HN  ))
      4.000     2.000     2.000 peak   687 spectrum    1 weight  0.11000E+01 volume  0.10240E-03 ppm1      3.179 ppm2      7.912 CV     1
 ASSI {  691}
   (( segid "alk1" and resid 27   and name HD1 ))
   (( segid "alk1" and resid 27   and name HA  ))
      5.400     3.600     0.600 peak   691 spectrum    1 weight  0.11000E+01 volume  0.72116E-04 ppm1      3.543 ppm2      4.815 CV     1
 ASSI {  693}
   (( segid "alk1" and resid 27   and name HD1 ))
   (( segid "alk1" and resid 25   and name HA  ))
      3.400     1.400     1.400 peak   693 spectrum    1 weight  0.11000E+01 volume  0.14311E-02 ppm1      3.541 ppm2      4.414 CV     1
 ASSI {  694}
   (( segid "alk1" and resid 27   and name HD1 ))
   (( segid "alk1" and resid 26   and name HA2 ))
      2.500     0.800     0.800 peak   694 spectrum    1 weight  0.11000E+01 volume  0.90524E-02 ppm1      3.544 ppm2      4.186 CV     1
 ASSI {  695}
   (( segid "alk1" and resid 27   and name HD1 ))
   (( segid "alk1" and resid 22   and name HD2 ))
      3.400     3.400     2.600 peak   695 spectrum    1 weight  0.11000E+01 volume  0.21750E-03 ppm1      3.540 ppm2      3.139 CV     1
 ASSI {  696}
   (( segid "alk1" and resid 27   and name HD1 ))
   (( segid "alk1" and resid 22   and name HD1 ))
      3.500     3.500     2.500 peak   696 spectrum    1 weight  0.11000E+01 volume  0.16869E-03 ppm1      3.538 ppm2      3.320 CV     1
 ASSI {  697}
   (( segid "alk1" and resid 27   and name HD1 ))
   (( segid "alk1" and resid 27   and name HB1 ))
      3.300     1.400     1.400 peak   697 spectrum    1 weight  0.11000E+01 volume  0.12961E-02 ppm1      3.541 ppm2      2.372 CV     1
 ASSI {  698}
   (( segid "alk1" and resid 27   and name HD1 ))
   (( segid "alk1" and resid 25   and name HB2 ))
      5.100     3.200     0.900 peak   698 spectrum    1 weight  0.11000E+01 volume  0.89951E-04 ppm1      3.547 ppm2      1.733 CV     1
 ASSI {  700}
   (( segid "alk1" and resid 27   and name HD1 ))
   (( segid "alk1" and resid 27   and name HG2 ))
      2.500     2.500     3.500 peak   700 spectrum    1 weight  0.11000E+01 volume  0.35699E-02 ppm1      3.544 ppm2      1.993 CV     1
 OR {  700}
   (( segid "alk1" and resid 27   and name HD1 ))
   (( segid "alk1" and resid 27   and name HG1 ))
 ASSI {  701}
   (( segid "alk1" and resid 27   and name HD2 ))
   (( segid "alk1" and resid 28   and name HN  ))
      3.300     1.400     1.400 peak   701 spectrum    1 weight  0.11000E+01 volume  0.11026E-02 ppm1      3.792 ppm2      7.604 CV     1
 ASSI {  705}
   (( segid "alk1" and resid 46   and name HD2 ))
   (( segid "alk1" and resid 46   and name HA  ))
      3.200     1.300     1.300 peak   705 spectrum    1 weight  0.11000E+01 volume  0.17608E-02 ppm1      3.447 ppm2      4.628 CV     1
 ASSI {  706}
   (( segid "alk1" and resid 46   and name HD2 ))
   (( segid "alk1" and resid 41   and name HA  ))
      4.000     4.000     2.000 peak   706 spectrum    1 weight  0.11000E+01 volume  0.81734E-04 ppm1      3.443 ppm2      4.441 CV     1
 ASSI {  708}
   (( segid "alk1" and resid 46   and name HD2 ))
   (( segid "alk1" and resid 46   and name HB2 ))
      3.300     1.300     1.300 peak   708 spectrum    1 weight  0.11000E+01 volume  0.24599E-02 ppm1      3.443 ppm2      1.775 CV     1
 ASSI {  709}
   (( segid "alk1" and resid 46   and name HD2 ))
   (( segid "alk1" and resid 41   and name HG2 ))
      3.100     3.100     2.900 peak   709 spectrum    1 weight  0.11000E+01 volume  0.36434E-03 ppm1      3.446 ppm2      2.149 CV     1
 ASSI {  710}
   (( segid "alk1" and resid 46   and name HD2 ))
   (( segid "alk1" and resid 47   and name HG2 ))
      3.900     1.900     1.900 peak   710 spectrum    1 weight  0.11000E+01 volume  0.91359E-04 ppm1      3.444 ppm2      2.329 CV     1
 OR {  710}
   (( segid "alk1" and resid 46   and name HD2 ))
   (( segid "alk1" and resid 47   and name HG1 ))
 ASSI {  714}
   (( segid "alk1" and resid 46   and name HD2 ))
   (  segid "alk1" and resid 38   and name HD1%)
      2.700     2.700     3.300 peak   714 spectrum    1 weight  0.11000E+01 volume  0.86173E-03 ppm1      3.444 ppm2      0.781 CV     1
 ASSI {  715}
   (( segid "alk1" and resid 46   and name HD2 ))
   (( segid "alk1" and resid 44   and name HG2 ))
      4.000     4.000     2.000 peak   715 spectrum    1 weight  0.11000E+01 volume  0.84523E-04 ppm1      3.433 ppm2      1.490 CV     1
 OR {  715}
   (( segid "alk1" and resid 46   and name HD2 ))
   (( segid "alk1" and resid 44   and name HG1 ))
 ASSI {  718}
   (( segid "alk1" and resid 45   and name HA  ))
   (( segid "alk1" and resid 46   and name HD2 ))
      2.400     0.700     0.700 peak   718 spectrum    1 weight  0.11000E+01 volume  0.61811E-02 ppm1      4.853 ppm2      3.449 CV     1
 ASSI {  719}
   (( segid "alk1" and resid 45   and name HA  ))
   (( segid "alk1" and resid 46   and name HD1 ))
      2.300     0.600     0.600 peak   719 spectrum    1 weight  0.11000E+01 volume  0.81138E-02 ppm1      4.855 ppm2      3.844 CV     1
 ASSI {  721}
   (( segid "alk1" and resid 30   and name HD1 ))
   (( segid "alk1" and resid 16   and name HA  ))
      2.600     2.600     3.400 peak   721 spectrum    1 weight  0.11000E+01 volume  0.11727E-02 ppm1      3.057 ppm2      4.877 CV     1
 OR {  721}
   (( segid "alk1" and resid 30   and name HD2 ))
   (( segid "alk1" and resid 16   and name HA  ))
 ASSI {  722}
   (( segid "alk1" and resid 30   and name HD1 ))
   (( segid "alk1" and resid 30   and name HA  ))
      3.600     1.600     1.600 peak   722 spectrum    1 weight  0.11000E+01 volume  0.16484E-02 ppm1      3.058 ppm2      5.577 CV     1
 OR {  722}
   (( segid "alk1" and resid 30   and name HD2 ))
   (( segid "alk1" and resid 30   and name HA  ))
 ASSI {  725}
   (( segid "alk1" and resid 30   and name HD1 ))
   (  segid "alk1" and resid 14   and name HD1%)
      2.900     1.100     1.100 peak   725 spectrum    1 weight  0.11000E+01 volume  0.20783E-02 ppm1      3.060 ppm2      0.770 CV     1
 OR {  725}
   (( segid "alk1" and resid 30   and name HD2 ))
   (  segid "alk1" and resid 14   and name HD1%)
 ASSI {  726}
   (( segid "alk1" and resid 30   and name HD1 ))
   (  segid "alk1" and resid 16   and name HG2%)
      2.600     2.600     3.400 peak   726 spectrum    1 weight  0.11000E+01 volume  0.11308E-02 ppm1      3.058 ppm2      1.163 CV     1
 OR {  726}
   (( segid "alk1" and resid 30   and name HD2 ))
   (  segid "alk1" and resid 16   and name HG2%)
 ASSI {  730}
   (( segid "alk1" and resid 56   and name HA  ))
   (( segid "alk1" and resid 56   and name HB1 ))
      2.900     1.000     1.000 peak   730 spectrum    1 weight  0.11000E+01 volume  0.15982E-02 ppm1      4.991 ppm2      3.490 CV     1
 ASSI {  731}
   (( segid "alk1" and resid 56   and name HA  ))
   (( segid "alk1" and resid 56   and name HB2 ))
      2.900     1.000     1.000 peak   731 spectrum    1 weight  0.11000E+01 volume  0.33564E-02 ppm1      4.994 ppm2      3.145 CV     1
 ASSI {  736}
   (( segid "alk1" and resid 61   and name HA  ))
   (( segid "alk1" and resid 61   and name HB1 ))
      4.400     4.400     1.600 peak   736 spectrum    1 weight  0.11000E+01 volume  0.16570E-03 ppm1      4.500 ppm2      1.741 CV     1
 ASSI {  740}
   (( segid "alk1" and resid 62   and name HA1 ))
   (( segid "alk1" and resid 63   and name HB2 ))
      6.000     5.600     0.000 peak   740 spectrum    1 weight  0.11000E+01 volume  0.31860E-04 ppm1      4.129 ppm2      1.708 CV     1
 ASSI {    1}
   (( segid "alk1" and resid 53   and name HA2 ))
   (( segid "alk1" and resid 53   and name HA1 ))
      2.100     0.500     0.500 peak     1 spectrum    1 weight  0.11000E+01 volume  0.54087E-02 ppm1      2.239 ppm2      4.056 CV     1
 ASSI {    1}
   (( segid "alk1" and resid 54   and name HB1 ))
   (( segid "alk1" and resid 54   and name HA  ))
      2.500     0.800     0.800 peak     1 spectrum    1 weight  0.11000E+01 volume  0.32875E-02 ppm1      2.477 ppm2      4.027 CV     1
 ASSI {    4}
   (( segid "alk1" and resid 67   and name HB2 ))
   (( segid "alk1" and resid 67   and name HB1 ))
      2.300     2.300     3.700 peak     4 spectrum    1 weight  0.11000E+01 volume  0.32961E-02 ppm1      2.976 ppm2      3.274 CV     1
 ASSI {    5}
   (( segid "alk1" and resid 81   and name HB1 ))
   (( segid "alk1" and resid 81   and name HA  ))
      3.100     1.200     1.200 peak     5 spectrum    1 weight  0.11000E+01 volume  0.12690E-02 ppm1      2.743 ppm2      4.565 CV     1
 ASSI {    8}
   (( segid "alk1" and resid 15   and name HB  ))
   (( segid "alk1" and resid 15   and name HA  ))
      2.400     0.700     0.700 peak     8 spectrum    1 weight  0.11000E+01 volume  0.55140E-02 ppm1      1.838 ppm2      4.456 CV     1
 ASSI {    9}
   (( segid "alk1" and resid 90   and name HG1 ))
   (( segid "alk1" and resid 90   and name HA  ))
      2.800     1.000     1.000 peak     9 spectrum    1 weight  0.11000E+01 volume  0.30643E-02 ppm1      2.344 ppm2      4.596 CV     1
 OR {    9}
   (( segid "alk1" and resid 90   and name HG2 ))
   (( segid "alk1" and resid 90   and name HA  ))
 ASSI {   12}
   (( segid "alk1" and resid 85   and name HB  ))
   (( segid "alk1" and resid 85   and name HN  ))
      2.800     1.000     1.000 peak    12 spectrum    1 weight  0.11000E+01 volume  0.30464E-02 ppm1      1.936 ppm2      7.822 CV     1
 ASSI {   13}
   (( segid "alk1" and resid 27   and name HB1 ))
   (( segid "alk1" and resid 27   and name HA  ))
      4.400     2.400     1.600 peak    13 spectrum    1 weight  0.11000E+01 volume  0.12214E-03 ppm1      2.377 ppm2      4.812 CV     1
 ASSI {   14}
   (( segid "alk1" and resid 46   and name HB1 ))
   (( segid "alk1" and resid 46   and name HA  ))
      2.800     1.000     1.000 peak    14 spectrum    1 weight  0.11000E+01 volume  0.14034E-02 ppm1      2.062 ppm2      4.637 CV     1
 ASSI {   16}
   (( segid "alk1" and resid 44   and name HB1 ))
   (( segid "alk1" and resid 44   and name HA  ))
      4.200     2.200     1.800 peak    16 spectrum    1 weight  0.11000E+01 volume  0.23995E-03 ppm1      1.892 ppm2      4.590 CV     1
 ASSI {   18}
   (( segid "alk1" and resid 8    and name HB1 ))
   (( segid "alk1" and resid 8    and name HA  ))
      2.500     2.500     3.500 peak    18 spectrum    1 weight  0.11000E+01 volume  0.28892E-02 ppm1      1.782 ppm2      4.622 CV     1
 ASSI {   19}
   (( segid "alk1" and resid 44   and name HB2 ))
   (( segid "alk1" and resid 44   and name HA  ))
      3.700     1.700     1.700 peak    19 spectrum    1 weight  0.11000E+01 volume  0.47691E-03 ppm1      1.686 ppm2      4.589 CV     1
 ASSI {   20}
   (( segid "alk1" and resid 25   and name HB1 ))
   (( segid "alk1" and resid 25   and name HA  ))
      2.400     0.700     0.700 peak    20 spectrum    1 weight  0.11000E+01 volume  0.59525E-02 ppm1      1.970 ppm2      4.417 CV     1
 ASSI {   21}
   (( segid "alk1" and resid 22   and name HB1 ))
   (( segid "alk1" and resid 19   and name HB1 ))
      5.200     3.400     0.800 peak    21 spectrum    1 weight  0.11000E+01 volume  0.23621E-03 ppm1      2.290 ppm2      3.798 CV     1
 ASSI {   22}
   (( segid "alk1" and resid 6    and name HB1 ))
   (( segid "alk1" and resid 6    and name HA  ))
      1.900     0.400     0.400 peak    22 spectrum    1 weight  0.11000E+01 volume  0.20380E-01 ppm1      2.269 ppm2      4.420 CV     1
 ASSI {   23}
   (( segid "alk1" and resid 20   and name HB1 ))
   (( segid "alk1" and resid 20   and name HA  ))
      4.800     2.900     1.200 peak    23 spectrum    1 weight  0.11000E+01 volume  0.12638E-03 ppm1      2.040 ppm2      4.519 CV     1
 ASSI {   24}
   (( segid "alk1" and resid 96   and name HB1 ))
   (( segid "alk1" and resid 96   and name HA  ))
      2.600     0.900     0.900 peak    24 spectrum    1 weight  0.11000E+01 volume  0.28444E-02 ppm1      1.944 ppm2      4.421 CV     1
 ASSI {   25}
   (( segid "alk1" and resid 20   and name HB2 ))
   (( segid "alk1" and resid 20   and name HA  ))
      4.400     2.400     1.600 peak    25 spectrum    1 weight  0.11000E+01 volume  0.11857E-03 ppm1      1.834 ppm2      4.514 CV     1
 ASSI {   28}
   (( segid "alk1" and resid 76   and name HB2 ))
   (( segid "alk1" and resid 76   and name HA  ))
      3.500     1.500     1.500 peak    28 spectrum    1 weight  0.11000E+01 volume  0.45904E-03 ppm1      3.068 ppm2      4.540 CV     1
 OR {   28}
   (( segid "alk1" and resid 76   and name HB1 ))
   (( segid "alk1" and resid 76   and name HA  ))
 ASSI {   30}
   (( segid "alk1" and resid 41   and name HB2 ))
   (( segid "alk1" and resid 41   and name HN  ))
      3.100     1.200     1.200 peak    30 spectrum    1 weight  0.11000E+01 volume  0.12843E-02 ppm1      1.754 ppm2      8.465 CV     1
 ASSI {   31}
   (( segid "alk1" and resid 40   and name HB2 ))
   (( segid "alk1" and resid 40   and name HA  ))
      3.300     1.400     1.400 peak    31 spectrum    1 weight  0.11000E+01 volume  0.88771E-03 ppm1      1.742 ppm2      4.504 CV     1
 ASSI {   45}
   (( segid "alk1" and resid 23   and name HB2 ))
   (( segid "alk1" and resid 23   and name HB1 ))
      1.700     0.400     0.500 peak    45 spectrum    1 weight  0.11000E+01 volume  0.20735E-01 ppm1      2.920 ppm2      3.302 CV     1
 ASSI {   50}
   (( segid "alk1" and resid 90   and name HB1 ))
   (( segid "alk1" and resid 90   and name HA  ))
      4.600     2.600     1.400 peak    50 spectrum    1 weight  0.11000E+01 volume  0.11651E-03 ppm1      2.056 ppm2      4.607 CV     1
 ASSI {   51}
   (( segid "alk1" and resid 90   and name HB2 ))
   (( segid "alk1" and resid 90   and name HN  ))
      3.900     1.900     1.900 peak    51 spectrum    1 weight  0.11000E+01 volume  0.24905E-03 ppm1      1.897 ppm2      8.225 CV     1
 ASSI {   52}
   (( segid "alk1" and resid 90   and name HB2 ))
   (( segid "alk1" and resid 90   and name HA  ))
      3.100     1.200     1.200 peak    52 spectrum    1 weight  0.11000E+01 volume  0.17285E-02 ppm1      1.900 ppm2      4.605 CV     1
 ASSI {   56}
   (( segid "alk1" and resid 92   and name HG2 ))
   (( segid "alk1" and resid 92   and name HD2 ))
      1.700     0.400     0.500 peak    56 spectrum    1 weight  0.11000E+01 volume  0.29360E-01 ppm1      2.016 ppm2      3.630 CV     1
 ASSI {   57}
   (( segid "alk1" and resid 92   and name HG1 ))
   (( segid "alk1" and resid 92   and name HD1 ))
      1.700     0.400     0.500 peak    57 spectrum    1 weight  0.11000E+01 volume  0.30816E-01 ppm1      1.997 ppm2      3.808 CV     1
 ASSI {   60}
   (( segid "alk1" and resid 61   and name HG1 ))
   (( segid "alk1" and resid 61   and name HA  ))
      3.700     1.700     1.700 peak    60 spectrum    1 weight  0.11000E+01 volume  0.66987E-03 ppm1      1.583 ppm2      4.496 CV     1
 OR {   60}
   (( segid "alk1" and resid 61   and name HG2 ))
   (( segid "alk1" and resid 61   and name HA  ))
 ASSI {   82}
   (  segid "alk1" and resid 38   and name HD1%)
   (( segid "alk1" and resid 38   and name HA  ))
      3.200     1.300     1.300 peak    82 spectrum    1 weight  0.11000E+01 volume  0.84245E-03 ppm1      0.767 ppm2      4.880 CV     1
 ASSI {   92}
   (  segid "alk1" and resid 36   and name HG1%)
   (( segid "alk1" and resid 36   and name HA  ))
      3.200     1.200     1.200 peak    92 spectrum    1 weight  0.11000E+01 volume  0.96186E-03 ppm1      1.128 ppm2      4.764 CV     1
 ASSI {   94}
   (  segid "alk1" and resid 36   and name HG1%)
   (( segid "alk1" and resid 79   and name HB1 ))
      2.400     0.700     0.700 peak    94 spectrum    1 weight  0.11000E+01 volume  0.34412E-02 ppm1      1.131 ppm2      3.272 CV     1
 ASSI {   95}
   (  segid "alk1" and resid 55   and name HD2%)
   (( segid "alk1" and resid 55   and name HA  ))
      3.300     1.300     1.300 peak    95 spectrum    1 weight  0.11000E+01 volume  0.23197E-02 ppm1      0.812 ppm2      4.646 CV     1
 ASSI {  101}
   (  segid "alk1" and resid 35   and name HG2%)
   (( segid "alk1" and resid 35   and name HB  ))
      2.300     0.600     0.600 peak   101 spectrum    1 weight  0.11000E+01 volume  0.70417E-02 ppm1      1.228 ppm2      4.026 CV     1
 ASSI {  107}
   (  segid "alk1" and resid 35   and name HG2%)
   (( segid "alk1" and resid 23   and name HD2 ))
      4.700     2.800     1.300 peak   107 spectrum    1 weight  0.11000E+01 volume  0.24910E-03 ppm1      1.233 ppm2      7.069 CV     1
 ASSI {  110}
   (  segid "alk1" and resid 14   and name HD2%)
   (( segid "alk1" and resid 14   and name HA  ))
      2.600     0.900     0.900 peak   110 spectrum    1 weight  0.11000E+01 volume  0.32313E-02 ppm1      0.637 ppm2      4.512 CV     1
 ASSI {  111}
   (  segid "alk1" and resid 14   and name HD2%)
   (( segid "alk1" and resid 13   and name HA  ))
      2.200     2.200     3.800 peak   111 spectrum    1 weight  0.11000E+01 volume  0.25362E-02 ppm1      0.637 ppm2      4.421 CV     1
 ASSI {  116}
   (  segid "alk1" and resid 77   and name HD2%)
   (( segid "alk1" and resid 77   and name HA  ))
      2.900     1.000     1.000 peak   116 spectrum    1 weight  0.11000E+01 volume  0.14566E-02 ppm1      0.532 ppm2      3.770 CV     1
 ASSI {  152}
   (  segid "alk1" and resid 59   and name HD2%)
   (( segid "alk1" and resid 59   and name HA  ))
      2.700     0.900     0.900 peak   152 spectrum    1 weight  0.11000E+01 volume  0.27019E-02 ppm1      0.719 ppm2      4.062 CV     1
 ASSI {  153}
   (  segid "alk1" and resid 84   and name HD2%)
   (( segid "alk1" and resid 84   and name HA  ))
      2.600     0.800     0.800 peak   153 spectrum    1 weight  0.11000E+01 volume  0.42994E-02 ppm1      0.560 ppm2      4.364 CV     1
 ASSI {  162}
   (  segid "alk1" and resid 15   and name HG2%)
   (( segid "alk1" and resid 52   and name HA  ))
      4.200     2.200     1.800 peak   162 spectrum    1 weight  0.11000E+01 volume  0.63192E-03 ppm1      0.791 ppm2      5.198 CV     1
 ASSI {  167}
   (  segid "alk1" and resid 65   and name HG2%)
   (( segid "alk1" and resid 65   and name HB  ))
      2.100     0.600     0.600 peak   167 spectrum    1 weight  0.11000E+01 volume  0.13649E-01 ppm1      1.212 ppm2      4.473 CV     1
 ASSI {  171}
   (  segid "alk1" and resid 16   and name HG2%)
   (( segid "alk1" and resid 16   and name HB  ))
      2.000     0.500     0.500 peak   171 spectrum    1 weight  0.11000E+01 volume  0.16475E-01 ppm1      1.150 ppm2      4.140 CV     1
 ASSI {  178}
   (  segid "alk1" and resid 15   and name HG2%)
   (( segid "alk1" and resid 16   and name HN  ))
      3.800     1.800     1.800 peak   178 spectrum    1 weight  0.11000E+01 volume  0.19545E-02 ppm1      0.779 ppm2      8.890 CV     1
 ASSI {  180}
   (  segid "alk1" and resid 15   and name HG2%)
   (( segid "alk1" and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   180 spectrum    1 weight  0.11000E+01 volume  0.52696E-02 ppm1      0.781 ppm2      4.445 CV     1
 ASSI {  190}
   (  segid "alk1" and resid 98   and name HG2%)
   (( segid "alk1" and resid 98   and name HN  ))
      4.400     2.400     1.600 peak   190 spectrum    1 weight  0.11000E+01 volume  0.24543E-03 ppm1      1.150 ppm2      8.021 CV     1
 ASSI {  192}
   (  segid "alk1" and resid 98   and name HG2%)
   (( segid "alk1" and resid 98   and name HA  ))
      3.300     1.400     1.400 peak   192 spectrum    1 weight  0.11000E+01 volume  0.12168E-02 ppm1      1.151 ppm2      4.357 CV     1
 ASSI {  201}
   (  segid "alk1" and resid 68   and name HG1%)
   (( segid "alk1" and resid 67   and name HA  ))
      3.900     3.900     2.100 peak   201 spectrum    1 weight  0.11000E+01 volume  0.76914E-03 ppm1      0.966 ppm2      4.595 CV     1
 ASSI {  202}
   (  segid "alk1" and resid 68   and name HG2%)
   (( segid "alk1" and resid 69   and name HA  ))
      4.500     2.600     1.500 peak   202 spectrum    1 weight  0.11000E+01 volume  0.27590E-03 ppm1      0.955 ppm2      4.879 CV     1
 ASSI {  203}
   (  segid "alk1" and resid 36   and name HG2%)
   (( segid "alk1" and resid 71   and name HN  ))
      2.700     0.900     0.900 peak   203 spectrum    1 weight  0.11000E+01 volume  0.25990E-02 ppm1      0.894 ppm2      9.042 CV     1
 ASSI {  204}
   (  segid "alk1" and resid 36   and name HG2%)
   (( segid "alk1" and resid 36   and name HA  ))
      2.900     1.100     1.100 peak   204 spectrum    1 weight  0.11000E+01 volume  0.28279E-02 ppm1      0.894 ppm2      4.770 CV     1
 ASSI {  207}
   (  segid "alk1" and resid 82   and name HG1%)
   (( segid "alk1" and resid 85   and name HN  ))
      4.900     3.000     1.100 peak   207 spectrum    1 weight  0.11000E+01 volume  0.13577E-03 ppm1      0.798 ppm2      7.814 CV     1
 ASSI {  209}
   (  segid "alk1" and resid 82   and name HG1%)
   (  segid "alk1" and resid 71   and name HE% )
      2.400     2.400     3.600 peak   209 spectrum    1 weight  0.11000E+01 volume  0.16647E-02 ppm1      0.801 ppm2      6.572 CV     1
 ASSI {  214}
   (  segid "alk1" and resid 82   and name HG1%)
   (( segid "alk1" and resid 82   and name HA  ))
      2.600     0.800     0.800 peak   214 spectrum    1 weight  0.11000E+01 volume  0.78979E-02 ppm1      0.800 ppm2      3.843 CV     1
 ASSI {  243}
   (  segid "alk1" and resid 68   and name HG1%)
   (( segid "alk1" and resid 66   and name HN  ))
      3.300     1.400     1.400 peak   243 spectrum    1 weight  0.11000E+01 volume  0.23367E-03 ppm1      0.966 ppm2      8.369 CV     1
 ASSI {  244}
   (  segid "alk1" and resid 68   and name HG2%)
   (( segid "alk1" and resid 68   and name HA  ))
      2.400     0.700     0.700 peak   244 spectrum    1 weight  0.11000E+01 volume  0.63628E-02 ppm1      0.962 ppm2      4.401 CV     1
 ASSI {  247}
   (  segid "alk1" and resid 7    and name HG2%)
   (( segid "alk1" and resid 7    and name HA  ))
      4.000     2.000     2.000 peak   247 spectrum    1 weight  0.11000E+01 volume  0.39028E-03 ppm1      0.881 ppm2      3.999 CV     1
 ASSI {  249}
   (  segid "alk1" and resid 82   and name HG1%)
   (( segid "alk1" and resid 37   and name HN  ))
      5.100     3.200     0.900 peak   249 spectrum    1 weight  0.11000E+01 volume  0.25635E-03 ppm1      0.800 ppm2      9.058 CV     1
 ASSI {  251}
   (  segid "alk1" and resid 85   and name HG1%)
   (( segid "alk1" and resid 86   and name HN  ))
      3.900     1.900     1.900 peak   251 spectrum    1 weight  0.11000E+01 volume  0.73850E-03 ppm1      0.805 ppm2      8.077 CV     1
 ASSI {  283}
   (  segid "alk1" and resid 37   and name HG2%)
   (( segid "alk1" and resid 50   and name HA  ))
      3.300     3.300     2.700 peak   283 spectrum    1 weight  0.11000E+01 volume  0.11760E-02 ppm1      0.789 ppm2      5.196 CV     1
 ASSI {  294}
   (  segid "alk1" and resid 7    and name HG1%)
   (( segid "alk1" and resid 7    and name HA  ))
      3.800     1.800     1.800 peak   294 spectrum    1 weight  0.11000E+01 volume  0.46970E-03 ppm1      0.918 ppm2      3.993 CV     1
 ASSI {  301}
   (  segid "alk1" and resid 39   and name HG1%)
   (( segid "alk1" and resid 41   and name HN  ))
      3.100     3.100     2.900 peak   301 spectrum    1 weight  0.11000E+01 volume  0.17893E-02 ppm1      0.764 ppm2      8.453 CV     1
 ASSI {  304}
   (  segid "alk1" and resid 37   and name HG2%)
   (( segid "alk1" and resid 37   and name HA  ))
      2.900     1.100     1.100 peak   304 spectrum    1 weight  0.11000E+01 volume  0.29749E-02 ppm1      0.762 ppm2      4.786 CV     1
 ASSI {  332}
   (  segid "alk1" and resid 15   and name HG1%)
   (( segid "alk1" and resid 15   and name HN  ))
      3.100     1.200     1.200 peak   332 spectrum    1 weight  0.11000E+01 volume  0.31818E-02 ppm1      0.796 ppm2      9.117 CV     1
 ASSI {  333}
   (  segid "alk1" and resid 15   and name HG1%)
   (( segid "alk1" and resid 15   and name HA  ))
      2.600     2.600     3.400 peak   333 spectrum    1 weight  0.11000E+01 volume  0.31039E-02 ppm1      0.796 ppm2      4.497 CV     1
 ASSI {  336}
   (  segid "alk1" and resid 15   and name HG1%)
   (( segid "alk1" and resid 33   and name HA  ))
      3.000     1.100     1.100 peak   336 spectrum    1 weight  0.11000E+01 volume  0.11724E-02 ppm1      0.793 ppm2      4.627 CV     1
 ASSI {  338}
   (  segid "alk1" and resid 85   and name HG1%)
   (( segid "alk1" and resid 85   and name HA  ))
      2.900     2.900     3.100 peak   338 spectrum    1 weight  0.11000E+01 volume  0.29296E-02 ppm1      0.768 ppm2      3.950 CV     1
 ASSI {  350}
   (  segid "alk1" and resid 85   and name HG2%)
   (( segid "alk1" and resid 85   and name HN  ))
      2.800     1.000     1.000 peak   350 spectrum    1 weight  0.11000E+01 volume  0.35475E-02 ppm1      0.770 ppm2      7.826 CV     1
 ASSI {  351}
   (  segid "alk1" and resid 37   and name HG1%)
   (( segid "alk1" and resid 37   and name HN  ))
      3.300     1.400     1.400 peak   351 spectrum    1 weight  0.11000E+01 volume  0.24281E-02 ppm1      0.663 ppm2      9.051 CV     1
 ASSI {  352}
   (  segid "alk1" and resid 37   and name HG1%)
   (( segid "alk1" and resid 37   and name HA  ))
      2.800     1.000     1.000 peak   352 spectrum    1 weight  0.11000E+01 volume  0.19521E-02 ppm1      0.662 ppm2      4.780 CV     1
 ASSI {  364}
   (  segid "alk1" and resid 82   and name HG2%)
   (( segid "alk1" and resid 94   and name HN  ))
      3.400     3.400     2.600 peak   364 spectrum    1 weight  0.11000E+01 volume  0.20737E-02 ppm1      0.206 ppm2      8.365 CV     1
 ASSI {  365}
   (  segid "alk1" and resid 82   and name HG2%)
   (( segid "alk1" and resid 82   and name HA  ))
      2.700     0.900     0.900 peak   365 spectrum    1 weight  0.11000E+01 volume  0.31319E-02 ppm1      0.206 ppm2      3.844 CV     1
 ASSI {  371}
   (  segid "alk1" and resid 32   and name HB% )
   (( segid "alk1" and resid 33   and name HD1 ))
      2.500     0.800     0.800 peak   371 spectrum    1 weight  0.11000E+01 volume  0.60534E-02 ppm1      1.492 ppm2      7.236 CV     1
 ASSI {  385}
   (( segid "alk1" and resid 53   and name HA1 ))
   (( segid "alk1" and resid 33   and name HE1 ))
      3.300     1.300     1.300 peak   385 spectrum    1 weight  0.11000E+01 volume  0.67322E-03 ppm1      4.057 ppm2      9.889 CV     1
 ASSI {  386}
   (( segid "alk1" and resid 53   and name HA1 ))
   (( segid "alk1" and resid 53   and name HN  ))
      2.800     1.000     1.000 peak   386 spectrum    1 weight  0.11000E+01 volume  0.13345E-02 ppm1      4.054 ppm2      8.683 CV     1
 ASSI {  387}
   (( segid "alk1" and resid 53   and name HA1 ))
   (( segid "alk1" and resid 54   and name HN  ))
      3.100     1.200     1.200 peak   387 spectrum    1 weight  0.11000E+01 volume  0.13143E-02 ppm1      4.052 ppm2      8.118 CV     1
 ASSI {  388}
   (( segid "alk1" and resid 53   and name HA1 ))
   (( segid "alk1" and resid 23   and name HA  ))
      3.900     3.900     2.100 peak   388 spectrum    1 weight  0.10000E+01 volume  0.95576E-04 ppm1      4.052 ppm2      4.686 CV     1
 ASSI {  389}
   (( segid "alk1" and resid 53   and name HA1 ))
   (( segid "alk1" and resid 52   and name HB2 ))
      4.600     4.600     1.400 peak   389 spectrum    1 weight  0.11000E+01 volume  0.32533E-03 ppm1      4.031 ppm2      2.479 CV     1
 ASSI {  390}
   (( segid "alk1" and resid 53   and name HA1 ))
   (  segid "alk1" and resid 35   and name HG2%)
      3.000     1.100     1.100 peak   390 spectrum    1 weight  0.11000E+01 volume  0.12814E-02 ppm1      4.052 ppm2      1.232 CV     1
 ASSI {  395}
   (( segid "alk1" and resid 53   and name HA2 ))
   (( segid "alk1" and resid 33   and name HZ2 ))
      5.800     4.200     0.200 peak   395 spectrum    1 weight  0.11000E+01 volume  0.18515E-03 ppm1      2.230 ppm2      7.030 CV     1
 ASSI {  398}
   (( segid "alk1" and resid 53   and name HA2 ))
   (  segid "alk1" and resid 35   and name HG2%)
      3.700     1.700     1.700 peak   398 spectrum    1 weight  0.11000E+01 volume  0.15173E-02 ppm1      2.240 ppm2      1.231 CV     1
 ASSI {  399}
   (( segid "alk1" and resid 41   and name HG1 ))
   (( segid "alk1" and resid 42   and name HN  ))
      3.400     1.400     1.400 peak   399 spectrum    1 weight  0.11000E+01 volume  0.14077E-02 ppm1      2.166 ppm2      8.642 CV     1
 OR {  399}
   (( segid "alk1" and resid 41   and name HG2 ))
   (( segid "alk1" and resid 42   and name HN  ))
 ASSI {  400}
   (( segid "alk1" and resid 15   and name HB  ))
   (( segid "alk1" and resid 15   and name HN  ))
      2.500     0.800     0.800 peak   400 spectrum    1 weight  0.11000E+01 volume  0.27210E-02 ppm1      1.840 ppm2      9.119 CV     1
 ASSI {  402}
   (( segid "alk1" and resid 15   and name HB  ))
   (  segid "alk1" and resid 15   and name HG1%)
      2.100     0.500     0.500 peak   402 spectrum    1 weight  0.11000E+01 volume  0.12364E-01 ppm1      1.839 ppm2      0.790 CV     1
 OR {  402}
   (( segid "alk1" and resid 15   and name HB  ))
   (  segid "alk1" and resid 15   and name HG2%)
 ASSI {  403}
   (( segid "alk1" and resid 47   and name HB1 ))
   (( segid "alk1" and resid 47   and name HN  ))
      3.900     1.900     1.900 peak   403 spectrum    1 weight  0.11000E+01 volume  0.86223E-03 ppm1      1.995 ppm2      8.538 CV     1
 ASSI {  404}
   (( segid "alk1" and resid 47   and name HB1 ))
   (( segid "alk1" and resid 48   and name HN  ))
      3.000     1.100     1.100 peak   404 spectrum    1 weight  0.11000E+01 volume  0.18690E-02 ppm1      1.996 ppm2      8.754 CV     1
 ASSI {  405}
   (( segid "alk1" and resid 7    and name HB  ))
   (( segid "alk1" and resid 7    and name HA  ))
      3.000     1.100     1.100 peak   405 spectrum    1 weight  0.11000E+01 volume  0.17209E-02 ppm1      2.004 ppm2      3.995 CV     1
 ASSI {  406}
   (( segid "alk1" and resid 47   and name HB2 ))
   (( segid "alk1" and resid 48   and name HN  ))
      3.900     1.900     1.900 peak   406 spectrum    1 weight  0.11000E+01 volume  0.10924E-02 ppm1      1.797 ppm2      8.751 CV     1
 ASSI {  411}
   (( segid "alk1" and resid 8    and name HB2 ))
   (( segid "alk1" and resid 10   and name HB1 ))
      4.700     2.700     1.300 peak   411 spectrum    1 weight  0.11000E+01 volume  0.18068E-03 ppm1      1.690 ppm2      3.820 CV     1
 OR {  411}
   (( segid "alk1" and resid 8    and name HB2 ))
   (( segid "alk1" and resid 10   and name HB2 ))
 ASSI {  412}
   (( segid "alk1" and resid 44   and name HB2 ))
   (( segid "alk1" and resid 44   and name HD1 ))
      3.200     1.300     1.300 peak   412 spectrum    1 weight  0.11000E+01 volume  0.15977E-02 ppm1      1.686 ppm2      3.124 CV     1
 OR {  412}
   (( segid "alk1" and resid 44   and name HB2 ))
   (( segid "alk1" and resid 44   and name HD2 ))
 ASSI {  415}
   (  segid "alk1" and resid 14   and name HD2%)
   (( segid "alk1" and resid 32   and name HN  ))
      4.000     2.000     2.000 peak   415 spectrum    1 weight  0.11000E+01 volume  0.60356E-03 ppm1      0.636 ppm2      7.737 CV     1
 ASSI {  417}
   (  segid "alk1" and resid 14   and name HD2%)
   (( segid "alk1" and resid 14   and name HB2 ))
      3.300     1.400     1.400 peak   417 spectrum    1 weight  0.11000E+01 volume  0.23012E-02 ppm1      0.637 ppm2      1.220 CV     1
 ASSI {  418}
   (  segid "alk1" and resid 14   and name HD2%)
   (( segid "alk1" and resid 14   and name HB1 ))
      2.200     0.600     0.600 peak   418 spectrum    1 weight  0.11000E+01 volume  0.88228E-02 ppm1      0.637 ppm2      1.566 CV     1
 ASSI {  419}
   (( segid "alk1" and resid 15   and name HB  ))
   (( segid "alk1" and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   419 spectrum    1 weight  0.11000E+01 volume  0.14551E-03 ppm1      1.839 ppm2      9.790 CV     1
 ASSI {  423}
   (  segid "alk1" and resid 15   and name HG2%)
   (( segid "alk1" and resid 15   and name HB  ))
      2.300     0.700     0.700 peak   423 spectrum    1 weight  0.10000E+01 volume  0.63320E-02 ppm1      0.781 ppm2      1.837 CV     1
 ASSI {  426}
   (( segid "alk1" and resid 17   and name HB1 ))
   (( segid "alk1" and resid 23   and name HE1 ))
      4.200     2.200     1.800 peak   426 spectrum    1 weight  0.10000E+01 volume  0.59890E-03 ppm1      2.957 ppm2      8.058 CV     1
 ASSI {  427}
   (( segid "alk1" and resid 17   and name HB1 ))
   (( segid "alk1" and resid 17   and name HA  ))
      2.600     0.800     0.800 peak   427 spectrum    1 weight  0.11000E+01 volume  0.23746E-02 ppm1      2.956 ppm2      4.888 CV     1
 ASSI {  430}
   (( segid "alk1" and resid 17   and name HB2 ))
   (( segid "alk1" and resid 23   and name HE1 ))
      4.200     2.200     1.800 peak   430 spectrum    1 weight  0.10000E+01 volume  0.46581E-03 ppm1      2.852 ppm2      8.058 CV     1
 ASSI {  431}
   (( segid "alk1" and resid 17   and name HB2 ))
   (( segid "alk1" and resid 17   and name HA  ))
      2.900     1.000     1.000 peak   431 spectrum    1 weight  0.11000E+01 volume  0.25857E-02 ppm1      2.849 ppm2      4.884 CV     1
 ASSI {  432}
   (( segid "alk1" and resid 17   and name HB2 ))
   (( segid "alk1" and resid 34   and name HB1 ))
      4.500     2.600     1.500 peak   432 spectrum    1 weight  0.11000E+01 volume  0.24486E-03 ppm1      2.849 ppm2      3.170 CV     1
 OR {  432}
   (( segid "alk1" and resid 17   and name HB2 ))
   (( segid "alk1" and resid 34   and name HB2 ))
 ASSI {  433}
   (  segid "alk1" and resid 18   and name HG2%)
   (( segid "alk1" and resid 50   and name HD1 ))
      2.900     1.000     1.000 peak   433 spectrum    1 weight  0.11000E+01 volume  0.53809E-02 ppm1      1.220 ppm2      3.192 CV     1
 ASSI {  434}
   (  segid "alk1" and resid 18   and name HG2%)
   (( segid "alk1" and resid 20   and name HB2 ))
      2.500     0.800     0.800 peak   434 spectrum    1 weight  0.11000E+01 volume  0.41093E-02 ppm1      1.219 ppm2      1.830 CV     1
 ASSI {  435}
   (( segid "alk1" and resid 19   and name HB1 ))
   (( segid "alk1" and resid 20   and name HN  ))
      3.500     1.500     1.500 peak   435 spectrum    1 weight  0.11000E+01 volume  0.54855E-03 ppm1      3.774 ppm2      9.107 CV     1
 ASSI {  436}
   (( segid "alk1" and resid 19   and name HB1 ))
   (( segid "alk1" and resid 29   and name HN  ))
      4.600     2.600     1.400 peak   436 spectrum    1 weight  0.11000E+01 volume  0.67004E-03 ppm1      3.782 ppm2      8.875 CV     1
 ASSI {  437}
   (( segid "alk1" and resid 19   and name HB1 ))
   (( segid "alk1" and resid 19   and name HN  ))
      3.100     1.200     1.200 peak   437 spectrum    1 weight  0.11000E+01 volume  0.21496E-02 ppm1      3.779 ppm2      8.227 CV     1
 ASSI {  439}
   (( segid "alk1" and resid 19   and name HB1 ))
   (( segid "alk1" and resid 28   and name HN  ))
      4.500     2.500     1.500 peak   439 spectrum    1 weight  0.11000E+01 volume  0.17845E-03 ppm1      3.782 ppm2      7.596 CV     1
 ASSI {  442}
   (( segid "alk1" and resid 19   and name HB1 ))
   (( segid "alk1" and resid 27   and name HA  ))
      3.400     1.400     1.400 peak   442 spectrum    1 weight  0.11000E+01 volume  0.84688E-03 ppm1      3.784 ppm2      4.824 CV     1
 ASSI {  443}
   (( segid "alk1" and resid 19   and name HB1 ))
   (( segid "alk1" and resid 28   and name HB  ))
      6.000     5.800     0.000 peak   443 spectrum    1 weight  0.11000E+01 volume  0.10621E-03 ppm1      3.784 ppm2      4.217 CV     1
 ASSI {  444}
   (( segid "alk1" and resid 19   and name HB1 ))
   (( segid "alk1" and resid 18   and name HA  ))
      4.900     3.000     1.100 peak   444 spectrum    1 weight  0.11000E+01 volume  0.57812E-03 ppm1      3.779 ppm2      3.997 CV     1
 ASSI {  445}
   (( segid "alk1" and resid 19   and name HB1 ))
   (( segid "alk1" and resid 24   and name HB1 ))
      3.400     1.400     1.400 peak   445 spectrum    1 weight  0.11000E+01 volume  0.13674E-02 ppm1      3.781 ppm2      3.532 CV     1
 ASSI {  446}
   (( segid "alk1" and resid 19   and name HB1 ))
   (( segid "alk1" and resid 24   and name HB2 ))
      3.900     1.900     1.900 peak   446 spectrum    1 weight  0.11000E+01 volume  0.16137E-03 ppm1      3.785 ppm2      3.046 CV     1
 ASSI {  447}
   (( segid "alk1" and resid 19   and name HB1 ))
   (( segid "alk1" and resid 19   and name HB2 ))
      1.800     0.400     0.400 peak   447 spectrum    1 weight  0.11000E+01 volume  0.11171E-01 ppm1      3.779 ppm2      1.620 CV     1
 ASSI {  449}
   (( segid "alk1" and resid 19   and name HB2 ))
   (( segid "alk1" and resid 29   and name HN  ))
      3.700     1.700     1.700 peak   449 spectrum    1 weight  0.11000E+01 volume  0.71080E-03 ppm1      1.618 ppm2      8.873 CV     1
 ASSI {  450}
   (( segid "alk1" and resid 19   and name HB2 ))
   (( segid "alk1" and resid 19   and name HN  ))
      2.800     1.000     1.000 peak   450 spectrum    1 weight  0.11000E+01 volume  0.17655E-02 ppm1      1.617 ppm2      8.228 CV     1
 ASSI {  451}
   (( segid "alk1" and resid 19   and name HB2 ))
   (( segid "alk1" and resid 26   and name HN  ))
      5.700     4.100     0.300 peak   451 spectrum    1 weight  0.11000E+01 volume  0.96321E-04 ppm1      1.618 ppm2      7.774 CV     1
 ASSI {  453}
   (( segid "alk1" and resid 19   and name HB2 ))
   (( segid "alk1" and resid 28   and name HA  ))
      2.700     0.900     0.900 peak   453 spectrum    1 weight  0.11000E+01 volume  0.13178E-02 ppm1      1.618 ppm2      5.356 CV     1
 ASSI {  455}
   (( segid "alk1" and resid 19   and name HB2 ))
   (( segid "alk1" and resid 27   and name HA  ))
      3.700     1.700     1.700 peak   455 spectrum    1 weight  0.11000E+01 volume  0.66528E-03 ppm1      1.618 ppm2      4.831 CV     1
 ASSI {  456}
   (( segid "alk1" and resid 19   and name HB2 ))
   (( segid "alk1" and resid 18   and name HA  ))
      5.100     3.300     0.900 peak   456 spectrum    1 weight  0.11000E+01 volume  0.23195E-03 ppm1      1.614 ppm2      4.002 CV     1
 ASSI {  457}
   (( segid "alk1" and resid 19   and name HB2 ))
   (( segid "alk1" and resid 24   and name HB1 ))
      3.600     1.600     1.600 peak   457 spectrum    1 weight  0.11000E+01 volume  0.11927E-02 ppm1      1.617 ppm2      3.511 CV     1
 ASSI {  458}
   (( segid "alk1" and resid 19   and name HB2 ))
   (  segid "alk1" and resid 18   and name HG2%)
      4.600     2.700     1.400 peak   458 spectrum    1 weight  0.11000E+01 volume  0.30655E-03 ppm1      1.618 ppm2      1.210 CV     1
 ASSI {  459}
   (( segid "alk1" and resid 19   and name HB2 ))
   (  segid "alk1" and resid 28   and name HG2%)
      6.000     4.600     0.000 peak   459 spectrum    1 weight  0.11000E+01 volume  0.88359E-04 ppm1      1.618 ppm2      0.981 CV     1
 ASSI {  461}
   (( segid "alk1" and resid 22   and name HG2 ))
   (( segid "alk1" and resid 49   and name HD2 ))
      6.000     4.700     0.000 peak   461 spectrum    1 weight  0.11000E+01 volume  0.11021E-03 ppm1      1.887 ppm2      7.027 CV     1
 ASSI {  462}
   (( segid "alk1" and resid 22   and name HG2 ))
   (( segid "alk1" and resid 22   and name HD2 ))
      2.300     0.700     0.700 peak   462 spectrum    1 weight  0.11000E+01 volume  0.27139E-02 ppm1      1.882 ppm2      3.179 CV     1
 ASSI {  463}
   (( segid "alk1" and resid 22   and name HG2 ))
   (( segid "alk1" and resid 22   and name HD1 ))
      2.600     0.800     0.800 peak   463 spectrum    1 weight  0.11000E+01 volume  0.39776E-02 ppm1      1.885 ppm2      3.340 CV     1
 ASSI {  466}
   (( segid "alk1" and resid 22   and name HG2 ))
   (( segid "alk1" and resid 21   and name HA  ))
      4.600     2.700     1.400 peak   466 spectrum    1 weight  0.11000E+01 volume  0.54376E-03 ppm1      1.883 ppm2      4.522 CV     1
 ASSI {  467}
   (( segid "alk1" and resid 22   and name HB2 ))
   (( segid "alk1" and resid 23   and name HD2 ))
      4.700     2.800     1.300 peak   467 spectrum    1 weight  0.11000E+01 volume  0.92948E-04 ppm1      1.469 ppm2      7.051 CV     1
 ASSI {  470}
   (( segid "alk1" and resid 23   and name HB1 ))
   (( segid "alk1" and resid 23   and name HN  ))
      3.900     1.900     1.900 peak   470 spectrum    1 weight  0.11000E+01 volume  0.42877E-03 ppm1      3.300 ppm2      7.892 CV     1
 ASSI {  471}
   (( segid "alk1" and resid 23   and name HB1 ))
   (( segid "alk1" and resid 23   and name HD2 ))
      3.500     1.500     1.500 peak   471 spectrum    1 weight  0.11000E+01 volume  0.59059E-03 ppm1      3.297 ppm2      7.063 CV     1
 ASSI {  472}
   (( segid "alk1" and resid 33   and name HB2 ))
   (( segid "alk1" and resid 52   and name HA  ))
      4.300     2.300     1.700 peak   472 spectrum    1 weight  0.11000E+01 volume  0.45361E-03 ppm1      3.307 ppm2      5.172 CV     1
 ASSI {  473}
   (( segid "alk1" and resid 33   and name HB2 ))
   (  segid "alk1" and resid 15   and name HG1%)
      4.000     2.000     2.000 peak   473 spectrum    1 weight  0.11000E+01 volume  0.99056E-03 ppm1      3.312 ppm2      0.791 CV     1
 OR {  473}
   (( segid "alk1" and resid 33   and name HB2 ))
   (  segid "alk1" and resid 15   and name HG2%)
 ASSI {  475}
   (( segid "alk1" and resid 33   and name HB2 ))
   (( segid "alk1" and resid 33   and name HA  ))
      2.300     0.700     0.700 peak   475 spectrum    1 weight  0.11000E+01 volume  0.52200E-02 ppm1      3.302 ppm2      4.656 CV     1
 ASSI {  476}
   (( segid "alk1" and resid 33   and name HB2 ))
   (( segid "alk1" and resid 33   and name HB1 ))
      1.800     0.400     0.400 peak   476 spectrum    1 weight  0.11000E+01 volume  0.85238E-02 ppm1      3.307 ppm2      3.525 CV     1
 ASSI {  477}
   (( segid "alk1" and resid 23   and name HB2 ))
   (( segid "alk1" and resid 23   and name HN  ))
      3.500     1.500     1.500 peak   477 spectrum    1 weight  0.11000E+01 volume  0.45089E-03 ppm1      2.920 ppm2      7.889 CV     1
 ASSI {  479}
   (( segid "alk1" and resid 23   and name HB2 ))
   (( segid "alk1" and resid 23   and name HD2 ))
      3.900     1.900     1.900 peak   479 spectrum    1 weight  0.11000E+01 volume  0.61007E-03 ppm1      2.919 ppm2      7.066 CV     1
 ASSI {  480}
   (( segid "alk1" and resid 23   and name HB2 ))
   (( segid "alk1" and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   480 spectrum    1 weight  0.11000E+01 volume  0.25048E-02 ppm1      2.919 ppm2      4.664 CV     1
 ASSI {  483}
   (( segid "alk1" and resid 24   and name HB1 ))
   (( segid "alk1" and resid 24   and name HB2 ))
      1.800     0.400     0.400 peak   483 spectrum    1 weight  0.11000E+01 volume  0.10061E-01 ppm1      3.525 ppm2      3.050 CV     1
 ASSI {  488}
   (( segid "alk1" and resid 24   and name HB1 ))
   (( segid "alk1" and resid 26   and name HN  ))
      3.300     1.400     1.400 peak   488 spectrum    1 weight  0.11000E+01 volume  0.23344E-02 ppm1      3.527 ppm2      7.768 CV     1
 ASSI {  489}
   (( segid "alk1" and resid 24   and name HB1 ))
   (( segid "alk1" and resid 28   and name HN  ))
      4.900     3.000     1.100 peak   489 spectrum    1 weight  0.11000E+01 volume  0.10474E-03 ppm1      3.526 ppm2      7.594 CV     1
 ASSI {  494}
   (( segid "alk1" and resid 27   and name HB2 ))
   (  segid "alk1" and resid 28   and name HG2%)
      2.900     2.900     3.100 peak   494 spectrum    1 weight  0.11000E+01 volume  0.17720E-02 ppm1      2.102 ppm2      0.975 CV     1
 ASSI {  496}
   (( segid "alk1" and resid 27   and name HB2 ))
   (( segid "alk1" and resid 27   and name HD2 ))
      3.900     1.900     1.900 peak   496 spectrum    1 weight  0.11000E+01 volume  0.92432E-03 ppm1      2.106 ppm2      3.790 CV     1
 ASSI {  497}
   (( segid "alk1" and resid 27   and name HB2 ))
   (( segid "alk1" and resid 27   and name HA  ))
      2.900     1.100     1.100 peak   497 spectrum    1 weight  0.11000E+01 volume  0.27212E-02 ppm1      2.108 ppm2      4.815 CV     1
 ASSI {  499}
   (( segid "alk1" and resid 30   and name HB1 ))
   (( segid "alk1" and resid 31   and name HN  ))
      3.300     1.400     1.400 peak   499 spectrum    1 weight  0.11000E+01 volume  0.93974E-03 ppm1      1.608 ppm2      8.868 CV     1
 ASSI {  500}
   (( segid "alk1" and resid 30   and name HB1 ))
   (( segid "alk1" and resid 30   and name HN  ))
      3.300     1.400     1.400 peak   500 spectrum    1 weight  0.11000E+01 volume  0.19776E-02 ppm1      1.607 ppm2      8.489 CV     1
 ASSI {  501}
   (( segid "alk1" and resid 30   and name HB1 ))
   (( segid "alk1" and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   501 spectrum    1 weight  0.11000E+01 volume  0.17529E-02 ppm1      1.608 ppm2      5.579 CV     1
 ASSI {  502}
   (( segid "alk1" and resid 30   and name HG2 ))
   (( segid "alk1" and resid 16   and name HA  ))
      4.700     2.700     1.300 peak   502 spectrum    1 weight  0.11000E+01 volume  0.22652E-03 ppm1      1.612 ppm2      4.878 CV     1
 OR {  502}
   (( segid "alk1" and resid 30   and name HG1 ))
   (( segid "alk1" and resid 16   and name HA  ))
 ASSI {  505}
   (( segid "alk1" and resid 30   and name HB1 ))
   (( segid "alk1" and resid 14   and name HB2 ))
      3.900     1.900     1.900 peak   505 spectrum    1 weight  0.11000E+01 volume  0.10368E-02 ppm1      1.605 ppm2      1.228 CV     1
 ASSI {  506}
   (( segid "alk1" and resid 30   and name HB1 ))
   (  segid "alk1" and resid 14   and name HD1%)
      3.000     1.100     1.100 peak   506 spectrum    1 weight  0.11000E+01 volume  0.16309E-02 ppm1      1.606 ppm2      0.760 CV     1
 ASSI {  507}
   (  segid "alk1" and resid 32   and name HB% )
   (  segid "alk1" and resid 14   and name HD2%)
      2.300     2.300     3.700 peak   507 spectrum    1 weight  0.11000E+01 volume  0.23371E-02 ppm1      1.493 ppm2      0.645 CV     1
 ASSI {  508}
   (  segid "alk1" and resid 32   and name HB% )
   (  segid "alk1" and resid 15   and name HG2%)
      3.500     1.600     1.600 peak   508 spectrum    1 weight  0.11000E+01 volume  0.13395E-02 ppm1      1.493 ppm2      0.772 CV     1
 ASSI {  509}
   (  segid "alk1" and resid 32   and name HB% )
   (  segid "alk1" and resid 35   and name HG2%)
      3.100     3.100     2.900 peak   509 spectrum    1 weight  0.11000E+01 volume  0.33785E-02 ppm1      1.492 ppm2      1.233 CV     1
 ASSI {  511}
   (  segid "alk1" and resid 32   and name HB% )
   (( segid "alk1" and resid 54   and name HB2 ))
      4.100     2.100     1.900 peak   511 spectrum    1 weight  0.11000E+01 volume  0.75837E-03 ppm1      1.493 ppm2      2.343 CV     1
 ASSI {  512}
   (  segid "alk1" and resid 32   and name HB% )
   (( segid "alk1" and resid 54   and name HB1 ))
      4.000     2.000     2.000 peak   512 spectrum    1 weight  0.11000E+01 volume  0.75328E-03 ppm1      1.491 ppm2      2.471 CV     1
 ASSI {  513}
   (  segid "alk1" and resid 32   and name HB% )
   (( segid "alk1" and resid 33   and name HZ2 ))
      3.600     1.600     1.600 peak   513 spectrum    1 weight  0.11000E+01 volume  0.77058E-03 ppm1      1.492 ppm2      7.011 CV     1
 ASSI {  514}
   (  segid "alk1" and resid 32   and name HB% )
   (( segid "alk1" and resid 10   and name HB2 ))
      3.400     1.400     1.400 peak   514 spectrum    1 weight  0.11000E+01 volume  0.21832E-03 ppm1      1.495 ppm2      3.833 CV     1
 OR {  514}
   (  segid "alk1" and resid 32   and name HB% )
   (( segid "alk1" and resid 10   and name HB1 ))
 ASSI {  515}
   (( segid "alk1" and resid 33   and name HB1 ))
   (  segid "alk1" and resid 15   and name HG1%)
      4.400     2.500     1.600 peak   515 spectrum    1 weight  0.11000E+01 volume  0.63330E-03 ppm1      3.527 ppm2      0.792 CV     1
 ASSI {  516}
   (( segid "alk1" and resid 33   and name HB1 ))
   (  segid "alk1" and resid 32   and name HB% )
      4.500     2.500     1.500 peak   516 spectrum    1 weight  0.11000E+01 volume  0.14687E-03 ppm1      3.527 ppm2      1.494 CV     1
 ASSI {  518}
   (( segid "alk1" and resid 33   and name HB1 ))
   (( segid "alk1" and resid 33   and name HA  ))
      2.700     0.900     0.900 peak   518 spectrum    1 weight  0.11000E+01 volume  0.16261E-02 ppm1      3.526 ppm2      4.636 CV     1
 ASSI {  522}
   (( segid "alk1" and resid 33   and name HB1 ))
   (( segid "alk1" and resid 33   and name HD1 ))
      3.200     1.300     1.300 peak   522 spectrum    1 weight  0.11000E+01 volume  0.12361E-02 ppm1      3.526 ppm2      7.228 CV     1
 ASSI {  523}
   (( segid "alk1" and resid 33   and name HB1 ))
   (( segid "alk1" and resid 34   and name HN  ))
      4.300     2.300     1.700 peak   523 spectrum    1 weight  0.11000E+01 volume  0.13474E-02 ppm1      3.523 ppm2      9.311 CV     1
 ASSI {  524}
   (( segid "alk1" and resid 34   and name HB2 ))
   (  segid "alk1" and resid 15   and name HG1%)
      3.700     1.700     1.700 peak   524 spectrum    1 weight  0.11000E+01 volume  0.50846E-03 ppm1      3.165 ppm2      0.791 CV     1
 OR {  524}
   (( segid "alk1" and resid 34   and name HB1 ))
   (  segid "alk1" and resid 15   and name HG1%)
 ASSI {  525}
   (( segid "alk1" and resid 34   and name HB2 ))
   (  segid "alk1" and resid 36   and name HG1%)
      4.000     2.000     2.000 peak   525 spectrum    1 weight  0.11000E+01 volume  0.56206E-03 ppm1      3.160 ppm2      1.131 CV     1
 ASSI {  527}
   (( segid "alk1" and resid 34   and name HB1 ))
   (( segid "alk1" and resid 17   and name HA  ))
      5.700     4.100     0.300 peak   527 spectrum    1 weight  0.11000E+01 volume  0.71305E-04 ppm1      3.170 ppm2      4.892 CV     1
 OR {  527}
   (( segid "alk1" and resid 34   and name HB2 ))
   (( segid "alk1" and resid 17   and name HA  ))
 ASSI {  528}
   (( segid "alk1" and resid 34   and name HB2 ))
   (( segid "alk1" and resid 52   and name HA  ))
      6.000     4.700     0.000 peak   528 spectrum    1 weight  0.11000E+01 volume  0.75130E-04 ppm1      3.163 ppm2      5.196 CV     1
 ASSI {  531}
   (( segid "alk1" and resid 34   and name HB1 ))
   (( segid "alk1" and resid 35   and name HN  ))
      3.300     1.300     1.300 peak   531 spectrum    1 weight  0.11000E+01 volume  0.18378E-02 ppm1      3.184 ppm2      8.937 CV     1
 OR {  531}
   (( segid "alk1" and resid 34   and name HB2 ))
   (( segid "alk1" and resid 35   and name HN  ))
 ASSI {  532}
   (( segid "alk1" and resid 34   and name HB2 ))
   (( segid "alk1" and resid 79   and name HN  ))
      3.900     1.900     1.900 peak   532 spectrum    1 weight  0.11000E+01 volume  0.53863E-03 ppm1      3.156 ppm2      8.449 CV     1
 ASSI {  534}
   (( segid "alk1" and resid 36   and name HB  ))
   (( segid "alk1" and resid 37   and name HN  ))
      3.100     1.200     1.200 peak   534 spectrum    1 weight  0.11000E+01 volume  0.10910E-02 ppm1      1.948 ppm2      9.056 CV     1
 ASSI {  535}
   (( segid "alk1" and resid 36   and name HB  ))
   (( segid "alk1" and resid 36   and name HN  ))
      3.300     1.400     1.400 peak   535 spectrum    1 weight  0.11000E+01 volume  0.13352E-02 ppm1      1.946 ppm2      8.842 CV     1
 ASSI {  536}
   (( segid "alk1" and resid 36   and name HB  ))
   (  segid "alk1" and resid 71   and name HD% )
      3.900     1.900     1.900 peak   536 spectrum    1 weight  0.11000E+01 volume  0.14410E-02 ppm1      1.947 ppm2      6.853 CV     1
 ASSI {  538}
   (( segid "alk1" and resid 36   and name HB  ))
   (( segid "alk1" and resid 36   and name HA  ))
      3.100     1.200     1.200 peak   538 spectrum    1 weight  0.11000E+01 volume  0.64493E-03 ppm1      1.948 ppm2      4.768 CV     1
 ASSI {  540}
   (( segid "alk1" and resid 36   and name HB  ))
   (( segid "alk1" and resid 71   and name HB1 ))
      3.400     1.500     1.500 peak   540 spectrum    1 weight  0.11000E+01 volume  0.27920E-02 ppm1      1.946 ppm2      2.938 CV     1
 ASSI {  541}
   (( segid "alk1" and resid 36   and name HB  ))
   (( segid "alk1" and resid 71   and name HB2 ))
      3.800     1.800     1.800 peak   541 spectrum    1 weight  0.11000E+01 volume  0.28918E-02 ppm1      1.946 ppm2      2.835 CV     1
 ASSI {  542}
   (( segid "alk1" and resid 36   and name HB  ))
   (( segid "alk1" and resid 84   and name HB2 ))
      5.000     3.100     1.000 peak   542 spectrum    1 weight  0.11000E+01 volume  0.24352E-03 ppm1      1.948 ppm2      1.537 CV     1
 OR {  542}
   (( segid "alk1" and resid 36   and name HB  ))
   (( segid "alk1" and resid 84   and name HB1 ))
 ASSI {  543}
   (( segid "alk1" and resid 36   and name HB  ))
   (( segid "alk1" and resid 84   and name HG  ))
      4.300     2.300     1.700 peak   543 spectrum    1 weight  0.11000E+01 volume  0.19119E-03 ppm1      1.947 ppm2      1.423 CV     1
 ASSI {  544}
   (( segid "alk1" and resid 36   and name HB  ))
   (  segid "alk1" and resid 36   and name HG1%)
      2.300     0.600     0.600 peak   544 spectrum    1 weight  0.11000E+01 volume  0.48274E-02 ppm1      1.946 ppm2      1.129 CV     1
 ASSI {  545}
   (( segid "alk1" and resid 36   and name HB  ))
   (  segid "alk1" and resid 36   and name HG2%)
      2.200     0.600     0.600 peak   545 spectrum    1 weight  0.11000E+01 volume  0.54171E-02 ppm1      1.947 ppm2      0.897 CV     1
 ASSI {  546}
   (( segid "alk1" and resid 36   and name HB  ))
   (  segid "alk1" and resid 84   and name HD1%)
      2.600     0.800     0.800 peak   546 spectrum    1 weight  0.11000E+01 volume  0.23415E-02 ppm1      1.945 ppm2      0.693 CV     1
 ASSI {  550}
   (  segid "alk1" and resid 36   and name HG1%)
   (( segid "alk1" and resid 36   and name HN  ))
      2.900     1.100     1.100 peak   550 spectrum    1 weight  0.11000E+01 volume  0.12678E-02 ppm1      1.129 ppm2      8.842 CV     1
 ASSI {  551}
   (  segid "alk1" and resid 36   and name HG1%)
   (( segid "alk1" and resid 23   and name HE1 ))
      3.800     1.800     1.800 peak   551 spectrum    1 weight  0.10000E+01 volume  0.93122E-03 ppm1      1.129 ppm2      8.069 CV     1
 ASSI {  553}
   (  segid "alk1" and resid 36   and name HG1%)
   (( segid "alk1" and resid 50   and name HA  ))
      4.400     2.400     1.600 peak   553 spectrum    1 weight  0.11000E+01 volume  0.31589E-03 ppm1      1.130 ppm2      5.218 CV     1
 ASSI {  554}
   (  segid "alk1" and resid 36   and name HG1%)
   (( segid "alk1" and resid 79   and name HB2 ))
      2.800     1.000     1.000 peak   554 spectrum    1 weight  0.11000E+01 volume  0.28009E-02 ppm1      1.129 ppm2      2.418 CV     1
 ASSI {  556}
   (  segid "alk1" and resid 36   and name HG1%)
   (( segid "alk1" and resid 82   and name HB  ))
      2.800     1.000     1.000 peak   556 spectrum    1 weight  0.11000E+01 volume  0.47989E-02 ppm1      1.131 ppm2      1.528 CV     1
 ASSI {  557}
   (  segid "alk1" and resid 36   and name HG1%)
   (( segid "alk1" and resid 50   and name HB2 ))
      2.300     0.700     0.700 peak   557 spectrum    1 weight  0.11000E+01 volume  0.58502E-02 ppm1      1.130 ppm2      1.787 CV     1
 OR {  557}
   (  segid "alk1" and resid 36   and name HG1%)
   (( segid "alk1" and resid 50   and name HB1 ))
 ASSI {  558}
   (  segid "alk1" and resid 36   and name HG1%)
   (  segid "alk1" and resid 36   and name HG2%)
      2.000     0.500     0.500 peak   558 spectrum    1 weight  0.11000E+01 volume  0.13361E-01 ppm1      1.130 ppm2      0.894 CV     1
 ASSI {  559}
   (  segid "alk1" and resid 36   and name HG1%)
   (  segid "alk1" and resid 82   and name HG2%)
      2.500     0.800     0.800 peak   559 spectrum    1 weight  0.11000E+01 volume  0.35508E-02 ppm1      1.131 ppm2      0.209 CV     1
 ASSI {  560}
   (  segid "alk1" and resid 36   and name HG1%)
   (  segid "alk1" and resid 84   and name HD2%)
      4.100     2.100     1.900 peak   560 spectrum    1 weight  0.11000E+01 volume  0.54446E-03 ppm1      1.136 ppm2      0.582 CV     1
 ASSI {  561}
   (  segid "alk1" and resid 36   and name HG1%)
   (  segid "alk1" and resid 84   and name HD1%)
      3.900     1.900     1.900 peak   561 spectrum    1 weight  0.11000E+01 volume  0.91825E-03 ppm1      1.128 ppm2      0.688 CV     1
 ASSI {  562}
   (  segid "alk1" and resid 36   and name HG1%)
   (( segid "alk1" and resid 84   and name HG  ))
      4.300     2.300     1.700 peak   562 spectrum    1 weight  0.11000E+01 volume  0.47755E-03 ppm1      1.134 ppm2      1.419 CV     1
 ASSI {  563}
   (( segid "alk1" and resid 37   and name HB  ))
   (( segid "alk1" and resid 49   and name HN  ))
      3.400     1.400     1.400 peak   563 spectrum    1 weight  0.11000E+01 volume  0.85040E-03 ppm1      1.832 ppm2      9.196 CV     1
 ASSI {  566}
   (( segid "alk1" and resid 37   and name HB  ))
   (( segid "alk1" and resid 37   and name HA  ))
      2.800     1.000     1.000 peak   566 spectrum    1 weight  0.11000E+01 volume  0.23065E-02 ppm1      1.831 ppm2      4.786 CV     1
 ASSI {  567}
   (( segid "alk1" and resid 37   and name HB  ))
   (( segid "alk1" and resid 70   and name HA  ))
      6.000     5.100     0.000 peak   567 spectrum    1 weight  0.11000E+01 volume  0.12436E-03 ppm1      1.836 ppm2      5.069 CV     1
 ASSI {  568}
   (( segid "alk1" and resid 37   and name HB  ))
   (( segid "alk1" and resid 49   and name HB2 ))
      2.800     1.000     1.000 peak   568 spectrum    1 weight  0.11000E+01 volume  0.19687E-02 ppm1      1.832 ppm2      3.026 CV     1
 ASSI {  569}
   (( segid "alk1" and resid 37   and name HB  ))
   (( segid "alk1" and resid 49   and name HB1 ))
      3.900     1.900     1.900 peak   569 spectrum    1 weight  0.11000E+01 volume  0.12859E-02 ppm1      1.841 ppm2      3.145 CV     1
 ASSI {  570}
   (( segid "alk1" and resid 37   and name HB  ))
   (  segid "alk1" and resid 37   and name HG1%)
      2.300     0.600     0.600 peak   570 spectrum    1 weight  0.11000E+01 volume  0.72690E-02 ppm1      1.833 ppm2      0.671 CV     1
 ASSI {  571}
   (( segid "alk1" and resid 37   and name HB  ))
   (  segid "alk1" and resid 37   and name HG2%)
      2.200     0.600     0.600 peak   571 spectrum    1 weight  0.11000E+01 volume  0.97849E-02 ppm1      1.833 ppm2      0.763 CV     1
 ASSI {  572}
   (  segid "alk1" and resid 37   and name HG1%)
   (  segid "alk1" and resid 35   and name HG2%)
      3.500     1.500     1.500 peak   572 spectrum    1 weight  0.11000E+01 volume  0.13177E-02 ppm1      0.662 ppm2      1.233 CV     1
 ASSI {  574}
   (  segid "alk1" and resid 37   and name HG1%)
   (( segid "alk1" and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak   574 spectrum    1 weight  0.11000E+01 volume  0.21245E-02 ppm1      0.663 ppm2      3.025 CV     1
 ASSI {  575}
   (  segid "alk1" and resid 37   and name HG1%)
   (( segid "alk1" and resid 70   and name HA  ))
      2.700     0.900     0.900 peak   575 spectrum    1 weight  0.11000E+01 volume  0.18316E-02 ppm1      0.662 ppm2      5.060 CV     1
 ASSI {  576}
   (  segid "alk1" and resid 37   and name HG1%)
   (( segid "alk1" and resid 38   and name HN  ))
      3.300     1.400     1.400 peak   576 spectrum    1 weight  0.11000E+01 volume  0.14754E-02 ppm1      0.661 ppm2      8.455 CV     1
 ASSI {  579}
   (( segid "alk1" and resid 38   and name HG  ))
   (( segid "alk1" and resid 40   and name HN  ))
      3.500     1.500     1.500 peak   579 spectrum    1 weight  0.11000E+01 volume  0.65194E-03 ppm1      1.384 ppm2      8.665 CV     1
 ASSI {  580}
   (( segid "alk1" and resid 38   and name HG  ))
   (( segid "alk1" and resid 38   and name HN  ))
      3.800     1.800     1.800 peak   580 spectrum    1 weight  0.11000E+01 volume  0.85811E-03 ppm1      1.385 ppm2      8.457 CV     1
 ASSI {  581}
   (( segid "alk1" and resid 38   and name HG  ))
   (( segid "alk1" and resid 38   and name HA  ))
      3.300     1.400     1.400 peak   581 spectrum    1 weight  0.11000E+01 volume  0.10082E-02 ppm1      1.391 ppm2      4.880 CV     1
 ASSI {  582}
   (( segid "alk1" and resid 38   and name HG  ))
   (( segid "alk1" and resid 40   and name HA  ))
      3.000     1.100     1.100 peak   582 spectrum    1 weight  0.11000E+01 volume  0.15272E-02 ppm1      1.385 ppm2      4.522 CV     1
 ASSI {  583}
   (( segid "alk1" and resid 38   and name HG  ))
   (( segid "alk1" and resid 40   and name HD1 ))
      2.700     0.900     0.900 peak   583 spectrum    1 weight  0.11000E+01 volume  0.29715E-02 ppm1      1.385 ppm2      3.094 CV     1
 OR {  583}
   (( segid "alk1" and resid 38   and name HG  ))
   (( segid "alk1" and resid 40   and name HD2 ))
 ASSI {  584}
   (( segid "alk1" and resid 38   and name HG  ))
   (( segid "alk1" and resid 46   and name HB1 ))
      3.200     1.300     1.300 peak   584 spectrum    1 weight  0.11000E+01 volume  0.14071E-02 ppm1      1.385 ppm2      2.059 CV     1
 ASSI {  587}
   (( segid "alk1" and resid 39   and name HB  ))
   (( segid "alk1" and resid 40   and name HN  ))
      4.000     2.000     2.000 peak   587 spectrum    1 weight  0.11000E+01 volume  0.68037E-03 ppm1      1.724 ppm2      8.669 CV     1
 ASSI {  588}
   (( segid "alk1" and resid 39   and name HB  ))
   (( segid "alk1" and resid 47   and name HN  ))
      3.300     1.400     1.400 peak   588 spectrum    1 weight  0.11000E+01 volume  0.80685E-03 ppm1      1.730 ppm2      8.529 CV     1
 ASSI {  590}
   (( segid "alk1" and resid 39   and name HB  ))
   (( segid "alk1" and resid 38   and name HA  ))
      5.800     4.200     0.200 peak   590 spectrum    1 weight  0.11000E+01 volume  0.15927E-03 ppm1      1.729 ppm2      4.885 CV     1
 ASSI {  591}
   (( segid "alk1" and resid 39   and name HB  ))
   (  segid "alk1" and resid 39   and name HG2%)
      2.400     0.700     0.700 peak   591 spectrum    1 weight  0.11000E+01 volume  0.64952E-02 ppm1      1.727 ppm2      0.587 CV     1
 ASSI {  592}
   (( segid "alk1" and resid 39   and name HB  ))
   (  segid "alk1" and resid 39   and name HG1%)
      2.300     0.700     0.700 peak   592 spectrum    1 weight  0.11000E+01 volume  0.72572E-02 ppm1      1.726 ppm2      0.793 CV     1
 ASSI {  593}
   (  segid "alk1" and resid 39   and name HG2%)
   (( segid "alk1" and resid 49   and name HB2 ))
      3.400     1.400     1.400 peak   593 spectrum    1 weight  0.11000E+01 volume  0.79937E-03 ppm1      0.584 ppm2      3.041 CV     1
 ASSI {  594}
   (  segid "alk1" and resid 39   and name HG2%)
   (( segid "alk1" and resid 47   and name HG2 ))
      4.500     2.500     1.500 peak   594 spectrum    1 weight  0.11000E+01 volume  0.38308E-03 ppm1      0.582 ppm2      2.324 CV     1
 OR {  594}
   (  segid "alk1" and resid 39   and name HG2%)
   (( segid "alk1" and resid 47   and name HG1 ))
 ASSI {  595}
   (  segid "alk1" and resid 39   and name HG2%)
   (( segid "alk1" and resid 40   and name HN  ))
      4.100     2.100     1.900 peak   595 spectrum    1 weight  0.11000E+01 volume  0.11723E-02 ppm1      0.581 ppm2      8.670 CV     1
 ASSI {  597}
   (( segid "alk1" and resid 40   and name HB1 ))
   (( segid "alk1" and resid 40   and name HN  ))
      3.200     1.200     1.200 peak   597 spectrum    1 weight  0.11000E+01 volume  0.17653E-02 ppm1      1.609 ppm2      8.670 CV     1
 ASSI {  598}
   (( segid "alk1" and resid 40   and name HB1 ))
   (( segid "alk1" and resid 41   and name HN  ))
      3.700     1.700     1.700 peak   598 spectrum    1 weight  0.11000E+01 volume  0.69411E-03 ppm1      1.612 ppm2      8.470 CV     1
 ASSI {  599}
   (( segid "alk1" and resid 40   and name HB1 ))
   (( segid "alk1" and resid 40   and name HA  ))
      2.800     1.000     1.000 peak   599 spectrum    1 weight  0.11000E+01 volume  0.21659E-02 ppm1      1.606 ppm2      4.526 CV     1
 ASSI {  600}
   (( segid "alk1" and resid 40   and name HB1 ))
   (( segid "alk1" and resid 40   and name HD1 ))
      2.900     1.000     1.000 peak   600 spectrum    1 weight  0.11000E+01 volume  0.27171E-02 ppm1      1.609 ppm2      3.096 CV     1
 OR {  600}
   (( segid "alk1" and resid 40   and name HB1 ))
   (( segid "alk1" and resid 40   and name HD2 ))
 ASSI {  602}
   (( segid "alk1" and resid 40   and name HB1 ))
   (  segid "alk1" and resid 86   and name HD1%)
      3.700     1.700     1.700 peak   602 spectrum    1 weight  0.11000E+01 volume  0.82552E-03 ppm1      1.611 ppm2      0.790 CV     1
 ASSI {  603}
   (( segid "alk1" and resid 40   and name HB1 ))
   (( segid "alk1" and resid 40   and name HG2 ))
      2.500     0.800     0.800 peak   603 spectrum    1 weight  0.11000E+01 volume  0.49045E-02 ppm1      1.607 ppm2      1.386 CV     1
 ASSI {  604}
   (( segid "alk1" and resid 40   and name HB1 ))
   (( segid "alk1" and resid 40   and name HG1 ))
      2.300     0.700     0.700 peak   604 spectrum    1 weight  0.11000E+01 volume  0.71375E-02 ppm1      1.610 ppm2      1.486 CV     1
 ASSI {  605}
   (( segid "alk1" and resid 40   and name HB1 ))
   (( segid "alk1" and resid 41   and name HB1 ))
      3.400     3.400     2.600 peak   605 spectrum    1 weight  0.11000E+01 volume  0.15629E-02 ppm1      1.593 ppm2      1.903 CV     1
 ASSI {  606}
   (( segid "alk1" and resid 40   and name HB1 ))
   (( segid "alk1" and resid 40   and name HB2 ))
      1.500     0.300     0.700 peak   606 spectrum    1 weight  0.11000E+01 volume  0.34033E-01 ppm1      1.608 ppm2      1.718 CV     1
 ASSI {  608}
   (( segid "alk1" and resid 40   and name HG1 ))
   (( segid "alk1" and resid 40   and name HN  ))
      3.700     1.700     1.700 peak   608 spectrum    1 weight  0.11000E+01 volume  0.90011E-03 ppm1      1.478 ppm2      8.683 CV     1
 ASSI {  610}
   (( segid "alk1" and resid 40   and name HG1 ))
   (( segid "alk1" and resid 40   and name HA  ))
      3.200     1.300     1.300 peak   610 spectrum    1 weight  0.11000E+01 volume  0.14901E-02 ppm1      1.471 ppm2      4.527 CV     1
 ASSI {  611}
   (( segid "alk1" and resid 40   and name HG1 ))
   (( segid "alk1" and resid 40   and name HD1 ))
      2.600     0.800     0.800 peak   611 spectrum    1 weight  0.11000E+01 volume  0.39344E-02 ppm1      1.479 ppm2      3.100 CV     1
 OR {  611}
   (( segid "alk1" and resid 40   and name HG1 ))
   (( segid "alk1" and resid 40   and name HD2 ))
 ASSI {  612}
   (( segid "alk1" and resid 40   and name HG1 ))
   (  segid "alk1" and resid 86   and name HD1%)
      3.300     3.300     2.700 peak   612 spectrum    1 weight  0.11000E+01 volume  0.13548E-02 ppm1      1.480 ppm2      0.786 CV     1
 ASSI {  614}
   (( segid "alk1" and resid 44   and name HG2 ))
   (( segid "alk1" and resid 45   and name HD2 ))
      4.300     2.300     1.700 peak   614 spectrum    1 weight  0.11000E+01 volume  0.24945E-03 ppm1      1.528 ppm2      7.342 CV     1
 OR {  614}
   (( segid "alk1" and resid 44   and name HG1 ))
   (( segid "alk1" and resid 45   and name HD2 ))
 ASSI {  616}
   (( segid "alk1" and resid 45   and name HB1 ))
   (( segid "alk1" and resid 45   and name HA  ))
      2.600     0.800     0.800 peak   616 spectrum    1 weight  0.11000E+01 volume  0.37258E-02 ppm1      3.138 ppm2      4.851 CV     1
 ASSI {  617}
   (( segid "alk1" and resid 45   and name HB1 ))
   (( segid "alk1" and resid 46   and name HD1 ))
      3.400     1.500     1.500 peak   617 spectrum    1 weight  0.11000E+01 volume  0.15896E-02 ppm1      3.140 ppm2      3.840 CV     1
 ASSI {  618}
   (( segid "alk1" and resid 45   and name HB1 ))
   (( segid "alk1" and resid 45   and name HB2 ))
      1.500     0.300     0.700 peak   618 spectrum    1 weight  0.11000E+01 volume  0.56873E-01 ppm1      3.140 ppm2      3.214 CV     1
 ASSI {  620}
   (( segid "alk1" and resid 45   and name HB1 ))
   (( segid "alk1" and resid 46   and name HD2 ))
      2.700     2.700     3.300 peak   620 spectrum    1 weight  0.11000E+01 volume  0.38864E-02 ppm1      3.140 ppm2      3.446 CV     1
 ASSI {  622}
   (( segid "alk1" and resid 45   and name HB2 ))
   (( segid "alk1" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak   622 spectrum    1 weight  0.11000E+01 volume  0.36025E-02 ppm1      3.215 ppm2      4.850 CV     1
 ASSI {  623}
   (( segid "alk1" and resid 45   and name HB2 ))
   (( segid "alk1" and resid 46   and name HD1 ))
      3.400     3.400     2.600 peak   623 spectrum    1 weight  0.11000E+01 volume  0.17267E-02 ppm1      3.217 ppm2      3.842 CV     1
 ASSI {  624}
   (( segid "alk1" and resid 45   and name HB2 ))
   (( segid "alk1" and resid 46   and name HD2 ))
      3.100     3.100     2.900 peak   624 spectrum    1 weight  0.11000E+01 volume  0.27895E-02 ppm1      3.215 ppm2      3.436 CV     1
 ASSI {  625}
   (( segid "alk1" and resid 45   and name HB2 ))
   (( segid "alk1" and resid 41   and name HB1 ))
      3.500     1.600     1.600 peak   625 spectrum    1 weight  0.11000E+01 volume  0.61194E-03 ppm1      3.210 ppm2      1.912 CV     1
 ASSI {  626}
   (( segid "alk1" and resid 48   and name HG2 ))
   (( segid "alk1" and resid 49   and name HN  ))
      3.900     1.900     1.900 peak   626 spectrum    1 weight  0.11000E+01 volume  0.14377E-02 ppm1      2.025 ppm2      9.193 CV     1
 OR {  626}
   (( segid "alk1" and resid 48   and name HG1 ))
   (( segid "alk1" and resid 49   and name HN  ))
 ASSI {  627}
   (( segid "alk1" and resid 48   and name HG1 ))
   (( segid "alk1" and resid 48   and name HN  ))
      3.000     1.100     1.100 peak   627 spectrum    1 weight  0.11000E+01 volume  0.24034E-02 ppm1      2.021 ppm2      8.754 CV     1
 OR {  627}
   (( segid "alk1" and resid 48   and name HG2 ))
   (( segid "alk1" and resid 48   and name HN  ))
 ASSI {  629}
   (( segid "alk1" and resid 48   and name HG1 ))
   (( segid "alk1" and resid 38   and name HA  ))
      3.900     1.900     1.900 peak   629 spectrum    1 weight  0.11000E+01 volume  0.80812E-03 ppm1      2.009 ppm2      4.885 CV     1
 OR {  629}
   (( segid "alk1" and resid 48   and name HG2 ))
   (( segid "alk1" and resid 38   and name HA  ))
 ASSI {  630}
   (( segid "alk1" and resid 49   and name HB1 ))
   (  segid "alk1" and resid 37   and name HG1%)
      3.100     1.200     1.200 peak   630 spectrum    1 weight  0.11000E+01 volume  0.39491E-03 ppm1      3.151 ppm2      0.661 CV     1
 ASSI {  631}
   (( segid "alk1" and resid 49   and name HB1 ))
   (  segid "alk1" and resid 37   and name HG2%)
      4.100     2.100     1.900 peak   631 spectrum    1 weight  0.11000E+01 volume  0.65606E-03 ppm1      3.143 ppm2      0.771 CV     1
 ASSI {  633}
   (( segid "alk1" and resid 49   and name HB1 ))
   (( segid "alk1" and resid 21   and name HB2 ))
      3.700     1.700     1.700 peak   633 spectrum    1 weight  0.11000E+01 volume  0.57503E-03 ppm1      3.142 ppm2      3.791 CV     1
 ASSI {  634}
   (( segid "alk1" and resid 49   and name HB1 ))
   (( segid "alk1" and resid 21   and name HB1 ))
      3.100     1.200     1.200 peak   634 spectrum    1 weight  0.11000E+01 volume  0.77403E-03 ppm1      3.142 ppm2      3.984 CV     1
 ASSI {  642}
   (( segid "alk1" and resid 49   and name HB2 ))
   (( segid "alk1" and resid 48   and name HA  ))
      5.600     3.900     0.400 peak   642 spectrum    1 weight  0.11000E+01 volume  0.15608E-03 ppm1      3.028 ppm2      5.089 CV     1
 ASSI {  644}
   (( segid "alk1" and resid 49   and name HB2 ))
   (( segid "alk1" and resid 21   and name HB2 ))
      4.300     2.300     1.700 peak   644 spectrum    1 weight  0.11000E+01 volume  0.61456E-03 ppm1      3.025 ppm2      3.799 CV     1
 ASSI {  648}
   (( segid "alk1" and resid 49   and name HB2 ))
   (  segid "alk1" and resid 37   and name HG1%)
      2.700     0.900     0.900 peak   648 spectrum    1 weight  0.11000E+01 volume  0.77142E-03 ppm1      3.029 ppm2      0.664 CV     1
 ASSI {  649}
   (( segid "alk1" and resid 49   and name HB2 ))
   (  segid "alk1" and resid 37   and name HG2%)
      3.100     3.100     2.900 peak   649 spectrum    1 weight  0.11000E+01 volume  0.92130E-03 ppm1      3.023 ppm2      0.773 CV     1
 ASSI {  650}
   (( segid "alk1" and resid 54   and name HB1 ))
   (( segid "alk1" and resid 54   and name HD22))
      3.600     1.600     1.600 peak   650 spectrum    1 weight  0.11000E+01 volume  0.13020E-02 ppm1      2.468 ppm2      7.436 CV     1
 ASSI {  652}
   (( segid "alk1" and resid 54   and name HB2 ))
   (  segid "alk1" and resid 55   and name HD2%)
      5.200     3.400     0.800 peak   652 spectrum    1 weight  0.11000E+01 volume  0.29283E-03 ppm1      2.334 ppm2      0.792 CV     1
 ASSI {  656}
   (( segid "alk1" and resid 54   and name HB2 ))
   (( segid "alk1" and resid 54   and name HD21))
      3.000     1.100     1.100 peak   656 spectrum    1 weight  0.11000E+01 volume  0.13974E-02 ppm1      2.345 ppm2      6.958 CV     1
 ASSI {  657}
   (( segid "alk1" and resid 54   and name HB2 ))
   (( segid "alk1" and resid 54   and name HD22))
      3.300     1.300     1.300 peak   657 spectrum    1 weight  0.11000E+01 volume  0.24734E-02 ppm1      2.342 ppm2      7.420 CV     1
 ASSI {  658}
   (( segid "alk1" and resid 56   and name HB1 ))
   (( segid "alk1" and resid 56   and name HD2 ))
      3.500     1.500     1.500 peak   658 spectrum    1 weight  0.11000E+01 volume  0.88526E-03 ppm1      3.483 ppm2      7.311 CV     1
 ASSI {  661}
   (( segid "alk1" and resid 56   and name HB1 ))
   (( segid "alk1" and resid 59   and name HG  ))
      2.600     0.900     0.900 peak   661 spectrum    1 weight  0.11000E+01 volume  0.21150E-02 ppm1      3.486 ppm2      1.530 CV     1
 ASSI {  662}
   (( segid "alk1" and resid 56   and name HB1 ))
   (  segid "alk1" and resid 59   and name HD1%)
      2.800     1.000     1.000 peak   662 spectrum    1 weight  0.11000E+01 volume  0.39169E-02 ppm1      3.486 ppm2      0.792 CV     1
 ASSI {  663}
   (( segid "alk1" and resid 56   and name HB2 ))
   (( segid "alk1" and resid 56   and name HD2 ))
      3.500     1.500     1.500 peak   663 spectrum    1 weight  0.11000E+01 volume  0.66856E-03 ppm1      3.140 ppm2      7.325 CV     1
 ASSI {  665}
   (( segid "alk1" and resid 56   and name HB2 ))
   (( segid "alk1" and resid 59   and name HG  ))
      3.000     1.200     1.200 peak   665 spectrum    1 weight  0.11000E+01 volume  0.20428E-02 ppm1      3.145 ppm2      1.530 CV     1
 ASSI {  666}
   (( segid "alk1" and resid 56   and name HB2 ))
   (  segid "alk1" and resid 59   and name HD1%)
      2.500     0.800     0.800 peak   666 spectrum    1 weight  0.11000E+01 volume  0.40034E-02 ppm1      3.140 ppm2      0.791 CV     1
 ASSI {  668}
   (( segid "alk1" and resid 57   and name HB1 ))
   (( segid "alk1" and resid 57   and name HN  ))
      2.900     1.100     1.100 peak   668 spectrum    1 weight  0.11000E+01 volume  0.17946E-02 ppm1      1.485 ppm2      8.876 CV     1
 ASSI {  670}
   (( segid "alk1" and resid 57   and name HB1 ))
   (( segid "alk1" and resid 57   and name HD1 ))
      4.100     2.100     1.900 peak   670 spectrum    1 weight  0.11000E+01 volume  0.49025E-03 ppm1      1.499 ppm2      1.961 CV     1
 ASSI {  671}
   (( segid "alk1" and resid 57   and name HB1 ))
   (( segid "alk1" and resid 57   and name HD2 ))
      3.500     1.500     1.500 peak   671 spectrum    1 weight  0.11000E+01 volume  0.12300E-02 ppm1      1.485 ppm2      1.675 CV     1
 ASSI {  672}
   (( segid "alk1" and resid 57   and name HB1 ))
   (( segid "alk1" and resid 57   and name HG2 ))
      2.900     1.000     1.000 peak   672 spectrum    1 weight  0.11000E+01 volume  0.17276E-02 ppm1      1.488 ppm2      0.757 CV     1
 ASSI {  673}
   (( segid "alk1" and resid 57   and name HB1 ))
   (( segid "alk1" and resid 57   and name HG1 ))
      2.600     0.800     0.800 peak   673 spectrum    1 weight  0.11000E+01 volume  0.31259E-02 ppm1      1.487 ppm2      1.186 CV     1
 ASSI {  674}
   (( segid "alk1" and resid 57   and name HB1 ))
   (( segid "alk1" and resid 57   and name HB2 ))
      1.900     0.500     0.500 peak   674 spectrum    1 weight  0.11000E+01 volume  0.78878E-02 ppm1      1.488 ppm2      1.313 CV     1
 ASSI {  676}
   (( segid "alk1" and resid 57   and name HB2 ))
   (( segid "alk1" and resid 57   and name HG2 ))
      2.900     1.100     1.100 peak   676 spectrum    1 weight  0.11000E+01 volume  0.15415E-02 ppm1      1.311 ppm2      0.753 CV     1
 ASSI {  677}
   (( segid "alk1" and resid 57   and name HB2 ))
   (( segid "alk1" and resid 57   and name HG1 ))
      2.900     1.000     1.000 peak   677 spectrum    1 weight  0.11000E+01 volume  0.28484E-02 ppm1      1.317 ppm2      1.190 CV     1
 ASSI {  680}
   (( segid "alk1" and resid 57   and name HB2 ))
   (( segid "alk1" and resid 57   and name HD2 ))
      3.100     1.200     1.200 peak   680 spectrum    1 weight  0.11000E+01 volume  0.17111E-02 ppm1      1.316 ppm2      1.666 CV     1
 ASSI {  681}
   (( segid "alk1" and resid 57   and name HB2 ))
   (( segid "alk1" and resid 57   and name HD1 ))
      4.200     2.200     1.800 peak   681 spectrum    1 weight  0.11000E+01 volume  0.17411E-03 ppm1      1.321 ppm2      1.972 CV     1
 ASSI {  684}
   (( segid "alk1" and resid 57   and name HB2 ))
   (( segid "alk1" and resid 33   and name HZ2 ))
      5.700     4.100     0.300 peak   684 spectrum    1 weight  0.11000E+01 volume  0.60135E-04 ppm1      1.305 ppm2      7.022 CV     1
 ASSI {  685}
   (( segid "alk1" and resid 57   and name HB2 ))
   (( segid "alk1" and resid 57   and name HN  ))
      2.900     1.100     1.100 peak   685 spectrum    1 weight  0.11000E+01 volume  0.15478E-02 ppm1      1.314 ppm2      8.877 CV     1
 ASSI {  686}
   (( segid "alk1" and resid 58   and name HG1 ))
   (( segid "alk1" and resid 58   and name HN  ))
      3.900     1.900     1.900 peak   686 spectrum    1 weight  0.11000E+01 volume  0.95466E-03 ppm1      2.079 ppm2      9.766 CV     1
 ASSI {  687}
   (( segid "alk1" and resid 58   and name HG1 ))
   (( segid "alk1" and resid 59   and name HN  ))
      3.500     1.500     1.500 peak   687 spectrum    1 weight  0.11000E+01 volume  0.66109E-03 ppm1      2.072 ppm2      7.343 CV     1
 ASSI {  689}
   (( segid "alk1" and resid 58   and name HG1 ))
   (  segid "alk1" and resid 59   and name HD2%)
      3.000     1.100     1.100 peak   689 spectrum    1 weight  0.11000E+01 volume  0.16987E-02 ppm1      2.074 ppm2      0.724 CV     1
 ASSI {  691}
   (( segid "alk1" and resid 58   and name HG2 ))
   (( segid "alk1" and resid 59   and name HN  ))
      3.600     1.600     1.600 peak   691 spectrum    1 weight  0.11000E+01 volume  0.54426E-03 ppm1      2.459 ppm2      7.344 CV     1
 ASSI {  693}
   (( segid "alk1" and resid 58   and name HG2 ))
   (( segid "alk1" and resid 59   and name HG  ))
      3.500     1.500     1.500 peak   693 spectrum    1 weight  0.11000E+01 volume  0.77923E-03 ppm1      2.457 ppm2      1.525 CV     1
 ASSI {  700}
   (  segid "alk1" and resid 59   and name HD2%)
   (( segid "alk1" and resid 59   and name HG  ))
      2.500     0.800     0.800 peak   700 spectrum    1 weight  0.11000E+01 volume  0.39102E-02 ppm1      0.719 ppm2      1.536 CV     1
 ASSI {  702}
   (( segid "alk1" and resid 63   and name HB2 ))
   (( segid "alk1" and resid 63   and name HA  ))
      3.300     1.400     1.400 peak   702 spectrum    1 weight  0.11000E+01 volume  0.13105E-02 ppm1      1.713 ppm2      4.768 CV     1
 ASSI {  704}
   (( segid "alk1" and resid 63   and name HB2 ))
   (( segid "alk1" and resid 64   and name HD2 ))
      4.000     2.000     2.000 peak   704 spectrum    1 weight  0.11000E+01 volume  0.11434E-02 ppm1      1.707 ppm2      3.838 CV     1
 ASSI {  705}
   (( segid "alk1" and resid 63   and name HB2 ))
   (( segid "alk1" and resid 64   and name HD1 ))
      4.600     2.600     1.400 peak   705 spectrum    1 weight  0.11000E+01 volume  0.88922E-03 ppm1      1.709 ppm2      3.692 CV     1
 ASSI {  706}
   (( segid "alk1" and resid 63   and name HB2 ))
   (( segid "alk1" and resid 63   and name HD2 ))
      3.100     1.200     1.200 peak   706 spectrum    1 weight  0.11000E+01 volume  0.24912E-02 ppm1      1.708 ppm2      3.199 CV     1
 OR {  706}
   (( segid "alk1" and resid 63   and name HB2 ))
   (( segid "alk1" and resid 63   and name HD1 ))
 ASSI {  707}
   (( segid "alk1" and resid 63   and name HB2 ))
   (  segid "alk1" and resid 65   and name HG2%)
      4.600     2.600     1.400 peak   707 spectrum    1 weight  0.11000E+01 volume  0.15162E-03 ppm1      1.710 ppm2      1.208 CV     1
 ASSI {  711}
   (( segid "alk1" and resid 67   and name HB1 ))
   (( segid "alk1" and resid 68   and name HN  ))
      4.900     3.000     1.100 peak   711 spectrum    1 weight  0.11000E+01 volume  0.24518E-03 ppm1      3.272 ppm2      7.801 CV     1
 ASSI {  713}
   (( segid "alk1" and resid 67   and name HB1 ))
   (  segid "alk1" and resid 67   and name HE% )
      5.700     4.100     0.300 peak   713 spectrum    1 weight  0.11000E+01 volume  0.13946E-03 ppm1      3.276 ppm2      7.293 CV     1
 ASSI {  714}
   (( segid "alk1" and resid 67   and name HB1 ))
   (( segid "alk1" and resid 67   and name HA  ))
      3.500     1.500     1.500 peak   714 spectrum    1 weight  0.11000E+01 volume  0.51298E-03 ppm1      3.273 ppm2      4.601 CV     1
 ASSI {  716}
   (( segid "alk1" and resid 67   and name HB1 ))
   (  segid "alk1" and resid 68   and name HG1%)
      4.700     4.700     1.300 peak   716 spectrum    1 weight  0.11000E+01 volume  0.32661E-03 ppm1      3.276 ppm2      0.976 CV     1
 OR {  716}
   (( segid "alk1" and resid 67   and name HB1 ))
   (  segid "alk1" and resid 68   and name HG2%)
 ASSI {  717}
   (( segid "alk1" and resid 68   and name HB  ))
   (( segid "alk1" and resid 69   and name HN  ))
      3.600     1.600     1.600 peak   717 spectrum    1 weight  0.11000E+01 volume  0.80477E-03 ppm1      2.085 ppm2      8.462 CV     1
 ASSI {  719}
   (( segid "alk1" and resid 68   and name HB  ))
   (  segid "alk1" and resid 68   and name HG2%)
      2.000     0.500     0.500 peak   719 spectrum    1 weight  0.11000E+01 volume  0.15905E-01 ppm1      2.087 ppm2      0.966 CV     1
 ASSI {  720}
   (( segid "alk1" and resid 68   and name HB  ))
   (  segid "alk1" and resid 39   and name HG2%)
      2.800     2.800     3.200 peak   720 spectrum    1 weight  0.11000E+01 volume  0.61228E-03 ppm1      2.085 ppm2      0.561 CV     1
 ASSI {  722}
   (( segid "alk1" and resid 69   and name HB1 ))
   (( segid "alk1" and resid 69   and name HN  ))
      3.100     1.200     1.200 peak   722 spectrum    1 weight  0.11000E+01 volume  0.14225E-02 ppm1      2.832 ppm2      8.463 CV     1
 ASSI {  724}
   (( segid "alk1" and resid 69   and name HB1 ))
   (( segid "alk1" and resid 69   and name HD22))
      3.800     1.800     1.800 peak   724 spectrum    1 weight  0.11000E+01 volume  0.14730E-02 ppm1      2.826 ppm2      7.546 CV     1
 ASSI {  725}
   (( segid "alk1" and resid 69   and name HB1 ))
   (( segid "alk1" and resid 69   and name HD21))
      3.100     1.200     1.200 peak   725 spectrum    1 weight  0.11000E+01 volume  0.82365E-03 ppm1      2.826 ppm2      6.899 CV     1
 ASSI {  726}
   (( segid "alk1" and resid 69   and name HB1 ))
   (( segid "alk1" and resid 69   and name HA  ))
      2.700     0.900     0.900 peak   726 spectrum    1 weight  0.11000E+01 volume  0.32924E-02 ppm1      2.828 ppm2      4.898 CV     1
 ASSI {  727}
   (( segid "alk1" and resid 69   and name HB1 ))
   (( segid "alk1" and resid 38   and name HB1 ))
      3.000     1.100     1.100 peak   727 spectrum    1 weight  0.11000E+01 volume  0.11800E-02 ppm1      2.833 ppm2      1.677 CV     1
 ASSI {  728}
   (( segid "alk1" and resid 69   and name HB1 ))
   (( segid "alk1" and resid 38   and name HB2 ))
      3.900     1.900     1.900 peak   728 spectrum    1 weight  0.11000E+01 volume  0.80454E-03 ppm1      2.829 ppm2      1.455 CV     1
 ASSI {  729}
   (( segid "alk1" and resid 69   and name HB1 ))
   (  segid "alk1" and resid 86   and name HD2%)
      3.200     3.200     2.800 peak   729 spectrum    1 weight  0.11000E+01 volume  0.18356E-02 ppm1      2.834 ppm2      0.766 CV     1
 ASSI {  731}
   (( segid "alk1" and resid 69   and name HB2 ))
   (( segid "alk1" and resid 69   and name HN  ))
      3.100     1.200     1.200 peak   731 spectrum    1 weight  0.11000E+01 volume  0.14312E-02 ppm1      2.955 ppm2      8.462 CV     1
 ASSI {  732}
   (( segid "alk1" and resid 69   and name HB2 ))
   (( segid "alk1" and resid 70   and name HN  ))
      5.700     4.000     0.300 peak   732 spectrum    1 weight  0.11000E+01 volume  0.94554E-04 ppm1      2.948 ppm2      8.108 CV     1
 ASSI {  733}
   (( segid "alk1" and resid 69   and name HB2 ))
   (( segid "alk1" and resid 69   and name HD22))
      3.800     1.800     1.800 peak   733 spectrum    1 weight  0.11000E+01 volume  0.12780E-02 ppm1      2.952 ppm2      7.542 CV     1
 ASSI {  734}
   (( segid "alk1" and resid 69   and name HB2 ))
   (( segid "alk1" and resid 69   and name HD21))
      3.200     1.300     1.300 peak   734 spectrum    1 weight  0.11000E+01 volume  0.91024E-03 ppm1      2.960 ppm2      6.902 CV     1
 ASSI {  735}
   (( segid "alk1" and resid 69   and name HB2 ))
   (( segid "alk1" and resid 69   and name HA  ))
      2.800     1.000     1.000 peak   735 spectrum    1 weight  0.11000E+01 volume  0.25057E-02 ppm1      2.958 ppm2      4.905 CV     1
 ASSI {  738}
   (( segid "alk1" and resid 69   and name HB2 ))
   (( segid "alk1" and resid 69   and name HB1 ))
      1.700     0.300     0.500 peak   738 spectrum    1 weight  0.11000E+01 volume  0.21211E-01 ppm1      2.957 ppm2      2.836 CV     1
 ASSI {  739}
   (( segid "alk1" and resid 70   and name HB1 ))
   (  segid "alk1" and resid 37   and name HG1%)
      3.600     1.600     1.600 peak   739 spectrum    1 weight  0.11000E+01 volume  0.61942E-03 ppm1      3.342 ppm2      0.668 CV     1
 ASSI {  740}
   (( segid "alk1" and resid 70   and name HB1 ))
   (  segid "alk1" and resid 37   and name HG2%)
      2.700     0.900     0.900 peak   740 spectrum    1 weight  0.11000E+01 volume  0.92371E-03 ppm1      3.342 ppm2      0.768 CV     1
 ASSI {  741}
   (( segid "alk1" and resid 70   and name HB1 ))
   (  segid "alk1" and resid 68   and name HG2%)
      4.800     2.800     1.200 peak   741 spectrum    1 weight  0.11000E+01 volume  0.12637E-03 ppm1      3.341 ppm2      0.969 CV     1
 ASSI {  742}
   (( segid "alk1" and resid 70   and name HB1 ))
   (( segid "alk1" and resid 70   and name HB2 ))
      1.800     0.400     0.400 peak   742 spectrum    1 weight  0.11000E+01 volume  0.13581E-01 ppm1      3.340 ppm2      3.004 CV     1
 ASSI {  744}
   (( segid "alk1" and resid 70   and name HB1 ))
   (( segid "alk1" and resid 60   and name HA  ))
      4.400     2.400     1.600 peak   744 spectrum    1 weight  0.11000E+01 volume  0.25365E-03 ppm1      3.339 ppm2      4.259 CV     1
 ASSI {  746}
   (( segid "alk1" and resid 70   and name HB1 ))
   (( segid "alk1" and resid 70   and name HD2 ))
      4.500     2.500     1.500 peak   746 spectrum    1 weight  0.11000E+01 volume  0.17317E-03 ppm1      3.344 ppm2      6.901 CV     1
 ASSI {  747}
   (( segid "alk1" and resid 70   and name HB1 ))
   (( segid "alk1" and resid 70   and name HN  ))
      3.100     1.200     1.200 peak   747 spectrum    1 weight  0.11000E+01 volume  0.14455E-02 ppm1      3.341 ppm2      8.112 CV     1
 ASSI {  750}
   (( segid "alk1" and resid 70   and name HB2 ))
   (( segid "alk1" and resid 60   and name HA  ))
      3.800     1.800     1.800 peak   750 spectrum    1 weight  0.11000E+01 volume  0.37818E-03 ppm1      3.001 ppm2      4.254 CV     1
 ASSI {  751}
   (( segid "alk1" and resid 70   and name HB2 ))
   (( segid "alk1" and resid 71   and name HA  ))
      4.200     2.200     1.800 peak   751 spectrum    1 weight  0.11000E+01 volume  0.27609E-03 ppm1      3.007 ppm2      4.929 CV     1
 ASSI {  752}
   (( segid "alk1" and resid 70   and name HB2 ))
   (( segid "alk1" and resid 70   and name HN  ))
      3.100     1.200     1.200 peak   752 spectrum    1 weight  0.11000E+01 volume  0.16691E-02 ppm1      3.005 ppm2      8.112 CV     1
 ASSI {  753}
   (( segid "alk1" and resid 70   and name HB2 ))
   (( segid "alk1" and resid 71   and name HN  ))
      3.800     1.800     1.800 peak   753 spectrum    1 weight  0.11000E+01 volume  0.87068E-03 ppm1      3.002 ppm2      9.070 CV     1
 ASSI {  754}
   (( segid "alk1" and resid 70   and name HB2 ))
   (( segid "alk1" and resid 70   and name HD2 ))
      5.000     3.100     1.000 peak   754 spectrum    1 weight  0.11000E+01 volume  0.87061E-04 ppm1      3.002 ppm2      6.900 CV     1
 ASSI {  757}
   (( segid "alk1" and resid 71   and name HB2 ))
   (  segid "alk1" and resid 84   and name HD2%)
      4.500     2.500     1.500 peak   757 spectrum    1 weight  0.11000E+01 volume  0.55398E-03 ppm1      2.843 ppm2      0.553 CV     1
 ASSI {  762}
   (( segid "alk1" and resid 74   and name HB2 ))
   (( segid "alk1" and resid 73   and name HA  ))
      4.700     2.800     1.300 peak   762 spectrum    1 weight  0.11000E+01 volume  0.19643E-03 ppm1      2.650 ppm2      4.786 CV     1
 ASSI {  763}
   (( segid "alk1" and resid 74   and name HB2 ))
   (  segid "alk1" and resid 15   and name HG2%)
      3.800     1.800     1.800 peak   763 spectrum    1 weight  0.11000E+01 volume  0.84326E-03 ppm1      2.660 ppm2      0.789 CV     1
 OR {  763}
   (( segid "alk1" and resid 74   and name HB2 ))
   (  segid "alk1" and resid 15   and name HG1%)
 ASSI {  765}
   (( segid "alk1" and resid 76   and name HB1 ))
   (( segid "alk1" and resid 76   and name HD2 ))
      3.300     1.400     1.400 peak   765 spectrum    1 weight  0.11000E+01 volume  0.10506E-02 ppm1      3.067 ppm2      7.023 CV     1
 OR {  765}
   (( segid "alk1" and resid 76   and name HB2 ))
   (( segid "alk1" and resid 76   and name HD2 ))
 ASSI {  766}
   (( segid "alk1" and resid 76   and name HB2 ))
   (( segid "alk1" and resid 75   and name HA  ))
      4.100     2.100     1.900 peak   766 spectrum    1 weight  0.11000E+01 volume  0.94131E-03 ppm1      3.067 ppm2      4.890 CV     1
 OR {  766}
   (( segid "alk1" and resid 76   and name HB1 ))
   (( segid "alk1" and resid 75   and name HA  ))
 ASSI {  767}
   (( segid "alk1" and resid 76   and name HB2 ))
   (( segid "alk1" and resid 75   and name HB2 ))
      4.500     2.600     1.500 peak   767 spectrum    1 weight  0.11000E+01 volume  0.38321E-03 ppm1      3.067 ppm2      4.059 CV     1
 OR {  767}
   (( segid "alk1" and resid 76   and name HB1 ))
   (( segid "alk1" and resid 75   and name HB2 ))
 ASSI {  768}
   (( segid "alk1" and resid 76   and name HB2 ))
   (  segid "alk1" and resid 15   and name HG1%)
      3.500     1.500     1.500 peak   768 spectrum    1 weight  0.11000E+01 volume  0.13026E-02 ppm1      3.070 ppm2      0.786 CV     1
 OR {  768}
   (( segid "alk1" and resid 76   and name HB1 ))
   (  segid "alk1" and resid 15   and name HG1%)
 ASSI {  769}
   (( segid "alk1" and resid 76   and name HB1 ))
   (  segid "alk1" and resid 77   and name HD2%)
      3.700     1.700     1.700 peak   769 spectrum    1 weight  0.11000E+01 volume  0.93910E-03 ppm1      3.067 ppm2      0.535 CV     1
 OR {  769}
   (( segid "alk1" and resid 76   and name HB2 ))
   (  segid "alk1" and resid 77   and name HD2%)
 ASSI {  770}
   (  segid "alk1" and resid 77   and name HD1%)
   (( segid "alk1" and resid 77   and name HA  ))
      4.800     2.900     1.200 peak   770 spectrum    1 weight  0.11000E+01 volume  0.37007E-03 ppm1      0.621 ppm2      3.774 CV     1
 ASSI {  771}
   (  segid "alk1" and resid 77   and name HD1%)
   (( segid "alk1" and resid 76   and name HD2 ))
      4.000     2.000     2.000 peak   771 spectrum    1 weight  0.11000E+01 volume  0.77939E-04 ppm1      0.624 ppm2      7.042 CV     1
 ASSI {  774}
   (  segid "alk1" and resid 77   and name HD1%)
   (  segid "alk1" and resid 16   and name HG2%)
      4.200     2.200     1.800 peak   774 spectrum    1 weight  0.11000E+01 volume  0.65070E-03 ppm1      0.623 ppm2      1.164 CV     1
 ASSI {  775}
   (  segid "alk1" and resid 77   and name HD1%)
   (  segid "alk1" and resid 28   and name HG2%)
      2.900     2.900     3.100 peak   775 spectrum    1 weight  0.11000E+01 volume  0.59481E-03 ppm1      0.622 ppm2      0.977 CV     1
 ASSI {  782}
   (  segid "alk1" and resid 77   and name HD2%)
   (  segid "alk1" and resid 28   and name HG2%)
      2.100     2.100     3.900 peak   782 spectrum    1 weight  0.11000E+01 volume  0.33383E-02 ppm1      0.532 ppm2      0.982 CV     1
 ASSI {  783}
   (( segid "alk1" and resid 79   and name HB1 ))
   (( segid "alk1" and resid 79   and name HN  ))
      3.600     1.600     1.600 peak   783 spectrum    1 weight  0.11000E+01 volume  0.49327E-03 ppm1      3.277 ppm2      8.437 CV     1
 ASSI {  788}
   (( segid "alk1" and resid 79   and name HB1 ))
   (( segid "alk1" and resid 79   and name HB2 ))
      2.000     0.500     0.500 peak   788 spectrum    1 weight  0.11000E+01 volume  0.54114E-02 ppm1      3.273 ppm2      2.418 CV     1
 ASSI {  790}
   (( segid "alk1" and resid 79   and name HB1 ))
   (( segid "alk1" and resid 50   and name HB1 ))
      4.800     2.900     1.200 peak   790 spectrum    1 weight  0.11000E+01 volume  0.15525E-03 ppm1      3.282 ppm2      1.800 CV     1
 ASSI {  793}
   (( segid "alk1" and resid 79   and name HB2 ))
   (( segid "alk1" and resid 34   and name HA  ))
      5.300     3.500     0.700 peak   793 spectrum    1 weight  0.11000E+01 volume  0.13220E-03 ppm1      2.416 ppm2      5.899 CV     1
 ASSI {  794}
   (( segid "alk1" and resid 79   and name HB2 ))
   (( segid "alk1" and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   794 spectrum    1 weight  0.11000E+01 volume  0.26959E-02 ppm1      2.416 ppm2      4.429 CV     1
 ASSI {  795}
   (( segid "alk1" and resid 79   and name HB2 ))
   (  segid "alk1" and resid 82   and name HG1%)
      4.900     3.000     1.100 peak   795 spectrum    1 weight  0.11000E+01 volume  0.10712E-03 ppm1      2.421 ppm2      0.796 CV     1
 ASSI {  797}
   (( segid "alk1" and resid 79   and name HB2 ))
   (( segid "alk1" and resid 82   and name HB  ))
      6.000     4.800     0.000 peak   797 spectrum    1 weight  0.11000E+01 volume  0.73853E-04 ppm1      2.416 ppm2      1.520 CV     1
 ASSI {  798}
   (( segid "alk1" and resid 79   and name HB2 ))
   (( segid "alk1" and resid 50   and name HB1 ))
      4.400     2.400     1.600 peak   798 spectrum    1 weight  0.11000E+01 volume  0.11067E-03 ppm1      2.414 ppm2      1.794 CV     1
 OR {  798}
   (( segid "alk1" and resid 79   and name HB2 ))
   (( segid "alk1" and resid 50   and name HB2 ))
 ASSI {  799}
   (( segid "alk1" and resid 80   and name HB1 ))
   (( segid "alk1" and resid 81   and name HN  ))
      3.100     1.200     1.200 peak   799 spectrum    1 weight  0.11000E+01 volume  0.11450E-02 ppm1      3.209 ppm2      8.445 CV     1
 ASSI {  801}
   (( segid "alk1" and resid 80   and name HB1 ))
   (( segid "alk1" and resid 77   and name HB1 ))
      2.800     1.000     1.000 peak   801 spectrum    1 weight  0.11000E+01 volume  0.20095E-02 ppm1      3.202 ppm2      1.601 CV     1
 ASSI {  802}
   (( segid "alk1" and resid 80   and name HB1 ))
   (  segid "alk1" and resid 77   and name HD2%)
      4.100     2.100     1.900 peak   802 spectrum    1 weight  0.11000E+01 volume  0.10383E-02 ppm1      3.203 ppm2      0.538 CV     1
 ASSI {  805}
   (( segid "alk1" and resid 80   and name HB2 ))
   (( segid "alk1" and resid 80   and name HD2 ))
      5.500     3.700     0.500 peak   805 spectrum    1 weight  0.11000E+01 volume  0.54798E-04 ppm1      3.378 ppm2      7.283 CV     1
 ASSI {  808}
   (( segid "alk1" and resid 80   and name HB2 ))
   (( segid "alk1" and resid 80   and name HB1 ))
      1.700     0.400     0.500 peak   808 spectrum    1 weight  0.11000E+01 volume  0.14655E-01 ppm1      3.383 ppm2      3.208 CV     1
 ASSI {  810}
   (( segid "alk1" and resid 80   and name HB2 ))
   (( segid "alk1" and resid 18   and name HB  ))
      2.900     1.100     1.100 peak   810 spectrum    1 weight  0.11000E+01 volume  0.26858E-02 ppm1      3.383 ppm2      3.496 CV     1
 ASSI {  811}
   (( segid "alk1" and resid 80   and name HB2 ))
   (( segid "alk1" and resid 77   and name HB1 ))
      2.600     0.900     0.900 peak   811 spectrum    1 weight  0.11000E+01 volume  0.19878E-02 ppm1      3.384 ppm2      1.594 CV     1
 ASSI {  812}
   (( segid "alk1" and resid 80   and name HB2 ))
   (  segid "alk1" and resid 18   and name HG2%)
      2.900     2.900     3.100 peak   812 spectrum    1 weight  0.11000E+01 volume  0.49769E-03 ppm1      3.387 ppm2      1.223 CV     1
 ASSI {  813}
   (( segid "alk1" and resid 80   and name HB2 ))
   (  segid "alk1" and resid 77   and name HD1%)
      5.000     3.100     1.000 peak   813 spectrum    1 weight  0.11000E+01 volume  0.16794E-03 ppm1      3.384 ppm2      0.629 CV     1
 ASSI {  814}
   (( segid "alk1" and resid 80   and name HB2 ))
   (  segid "alk1" and resid 77   and name HD2%)
      3.300     1.300     1.300 peak   814 spectrum    1 weight  0.11000E+01 volume  0.10149E-02 ppm1      3.383 ppm2      0.535 CV     1
 ASSI {  815}
   (( segid "alk1" and resid 81   and name HB1 ))
   (( segid "alk1" and resid 81   and name HN  ))
      3.800     1.800     1.800 peak   815 spectrum    1 weight  0.11000E+01 volume  0.64798E-03 ppm1      2.743 ppm2      8.451 CV     1
 ASSI {  816}
   (( segid "alk1" and resid 81   and name HB1 ))
   (( segid "alk1" and resid 81   and name HD22))
      3.800     1.800     1.800 peak   816 spectrum    1 weight  0.11000E+01 volume  0.13916E-02 ppm1      2.742 ppm2      7.497 CV     1
 ASSI {  817}
   (( segid "alk1" and resid 81   and name HB1 ))
   (( segid "alk1" and resid 81   and name HD21))
      3.600     1.600     1.600 peak   817 spectrum    1 weight  0.11000E+01 volume  0.56028E-03 ppm1      2.734 ppm2      6.814 CV     1
 ASSI {  819}
   (( segid "alk1" and resid 81   and name HB2 ))
   (( segid "alk1" and resid 81   and name HN  ))
      3.400     1.500     1.500 peak   819 spectrum    1 weight  0.11000E+01 volume  0.78674E-03 ppm1      2.593 ppm2      8.457 CV     1
 ASSI {  820}
   (( segid "alk1" and resid 81   and name HB2 ))
   (( segid "alk1" and resid 81   and name HD22))
      3.700     1.700     1.700 peak   820 spectrum    1 weight  0.11000E+01 volume  0.16396E-02 ppm1      2.591 ppm2      7.500 CV     1
 ASSI {  821}
   (( segid "alk1" and resid 81   and name HB2 ))
   (( segid "alk1" and resid 81   and name HD21))
      3.200     1.300     1.300 peak   821 spectrum    1 weight  0.11000E+01 volume  0.94758E-03 ppm1      2.594 ppm2      6.809 CV     1
 ASSI {  823}
   (( segid "alk1" and resid 81   and name HB2 ))
   (( segid "alk1" and resid 81   and name HA  ))
      2.900     1.000     1.000 peak   823 spectrum    1 weight  0.11000E+01 volume  0.27018E-02 ppm1      2.594 ppm2      4.565 CV     1
 ASSI {  824}
   (( segid "alk1" and resid 81   and name HB2 ))
   (  segid "alk1" and resid 82   and name HG1%)
      6.000     4.900     0.000 peak   824 spectrum    1 weight  0.11000E+01 volume  0.63383E-04 ppm1      2.588 ppm2      0.808 CV     1
 ASSI {  825}
   (( segid "alk1" and resid 81   and name HB2 ))
   (( segid "alk1" and resid 94   and name HB1 ))
      6.000     4.900     0.000 peak   825 spectrum    1 weight  0.11000E+01 volume  0.34472E-04 ppm1      2.595 ppm2      1.924 CV     1
 ASSI {  826}
   (( segid "alk1" and resid 82   and name HB  ))
   (( segid "alk1" and resid 94   and name HN  ))
      4.000     2.000     2.000 peak   826 spectrum    1 weight  0.11000E+01 volume  0.59756E-03 ppm1      1.529 ppm2      8.365 CV     1
 ASSI {  828}
   (( segid "alk1" and resid 82   and name HB  ))
   (  segid "alk1" and resid 71   and name HD% )
      3.700     1.800     1.800 peak   828 spectrum    1 weight  0.11000E+01 volume  0.66592E-03 ppm1      1.527 ppm2      6.827 CV     1
 ASSI {  830}
   (( segid "alk1" and resid 82   and name HB  ))
   (  segid "alk1" and resid 71   and name HE% )
      3.400     3.400     2.600 peak   830 spectrum    1 weight  0.11000E+01 volume  0.22619E-03 ppm1      1.522 ppm2      6.579 CV     1
 ASSI {  834}
   (( segid "alk1" and resid 82   and name HB  ))
   (( segid "alk1" and resid 71   and name HB1 ))
      6.000     6.000     0.000 peak   834 spectrum    1 weight  0.11000E+01 volume  0.24606E-04 ppm1      1.514 ppm2      2.978 CV     1
 ASSI {  835}
   (( segid "alk1" and resid 82   and name HB  ))
   (  segid "alk1" and resid 82   and name HG2%)
      2.200     0.600     0.600 peak   835 spectrum    1 weight  0.11000E+01 volume  0.70001E-02 ppm1      1.528 ppm2      0.210 CV     1
 ASSI {  836}
   (( segid "alk1" and resid 82   and name HB  ))
   (  segid "alk1" and resid 82   and name HG1%)
      2.200     0.600     0.600 peak   836 spectrum    1 weight  0.11000E+01 volume  0.76689E-02 ppm1      1.527 ppm2      0.802 CV     1
 ASSI {  840}
   (  segid "alk1" and resid 82   and name HG2%)
   (  segid "alk1" and resid 82   and name HG1%)
      2.100     0.500     0.500 peak   840 spectrum    1 weight  0.11000E+01 volume  0.12878E-01 ppm1      0.207 ppm2      0.800 CV     1
 ASSI {  842}
   (  segid "alk1" and resid 82   and name HG2%)
   (  segid "alk1" and resid 71   and name HE% )
      2.600     2.600     3.400 peak   842 spectrum    1 weight  0.11000E+01 volume  0.94406E-03 ppm1      0.208 ppm2      6.578 CV     1
 ASSI {  843}
   (  segid "alk1" and resid 82   and name HG2%)
   (( segid "alk1" and resid 82   and name HN  ))
      3.900     1.900     1.900 peak   843 spectrum    1 weight  0.11000E+01 volume  0.12961E-02 ppm1      0.207 ppm2      6.689 CV     1
 ASSI {  844}
   (  segid "alk1" and resid 82   and name HG2%)
   (  segid "alk1" and resid 71   and name HD% )
      3.900     1.900     1.900 peak   844 spectrum    1 weight  0.11000E+01 volume  0.28359E-03 ppm1      0.207 ppm2      6.862 CV     1
 ASSI {  845}
   (  segid "alk1" and resid 82   and name HG2%)
   (( segid "alk1" and resid 36   and name HB  ))
      3.700     1.700     1.700 peak   845 spectrum    1 weight  0.11000E+01 volume  0.96542E-03 ppm1      0.210 ppm2      1.947 CV     1
 ASSI {  846}
   (  segid "alk1" and resid 82   and name HG2%)
   (( segid "alk1" and resid 83   and name HA  ))
      4.600     2.600     1.400 peak   846 spectrum    1 weight  0.11000E+01 volume  0.34359E-03 ppm1      0.207 ppm2      4.837 CV     1
 ASSI {  848}
   (( segid "alk1" and resid 84   and name HB1 ))
   (( segid "alk1" and resid 86   and name HN  ))
      4.100     2.100     1.900 peak   848 spectrum    1 weight  0.11000E+01 volume  0.36340E-03 ppm1      1.542 ppm2      8.057 CV     1
 OR {  848}
   (( segid "alk1" and resid 84   and name HB2 ))
   (( segid "alk1" and resid 86   and name HN  ))
 ASSI {  851}
   (  segid "alk1" and resid 84   and name HD1%)
   (( segid "alk1" and resid 37   and name HN  ))
      3.400     1.500     1.500 peak   851 spectrum    1 weight  0.11000E+01 volume  0.55613E-03 ppm1      0.693 ppm2      9.061 CV     1
 ASSI {  852}
   (  segid "alk1" and resid 84   and name HD1%)
   (( segid "alk1" and resid 38   and name HN  ))
      3.500     1.500     1.500 peak   852 spectrum    1 weight  0.11000E+01 volume  0.73377E-03 ppm1      0.693 ppm2      8.449 CV     1
 ASSI {  853}
   (  segid "alk1" and resid 84   and name HD1%)
   (( segid "alk1" and resid 48   and name HA  ))
      4.400     4.400     1.600 peak   853 spectrum    1 weight  0.11000E+01 volume  0.14479E-03 ppm1      0.690 ppm2      5.057 CV     1
 ASSI {  854}
   (  segid "alk1" and resid 84   and name HD1%)
   (( segid "alk1" and resid 38   and name HA  ))
      3.200     1.300     1.300 peak   854 spectrum    1 weight  0.11000E+01 volume  0.10990E-02 ppm1      0.694 ppm2      4.904 CV     1
 ASSI {  856}
   (  segid "alk1" and resid 84   and name HD1%)
   (( segid "alk1" and resid 84   and name HA  ))
      5.100     3.200     0.900 peak   856 spectrum    1 weight  0.11000E+01 volume  0.10390E-03 ppm1      0.692 ppm2      4.374 CV     1
 ASSI {  857}
   (  segid "alk1" and resid 84   and name HD1%)
   (( segid "alk1" and resid 71   and name HB1 ))
      2.500     2.500     3.500 peak   857 spectrum    1 weight  0.11000E+01 volume  0.13531E-02 ppm1      0.693 ppm2      2.949 CV     1
 ASSI {  858}
   (  segid "alk1" and resid 84   and name HD1%)
   (( segid "alk1" and resid 69   and name HB1 ))
      3.100     1.200     1.200 peak   858 spectrum    1 weight  0.11000E+01 volume  0.12121E-02 ppm1      0.693 ppm2      2.836 CV     1
 ASSI {  860}
   (  segid "alk1" and resid 84   and name HD1%)
   (( segid "alk1" and resid 38   and name HB1 ))
      3.600     1.700     1.700 peak   860 spectrum    1 weight  0.11000E+01 volume  0.90893E-03 ppm1      0.694 ppm2      1.658 CV     1
 ASSI {  861}
   (  segid "alk1" and resid 84   and name HD1%)
   (( segid "alk1" and resid 84   and name HB1 ))
      2.500     0.800     0.800 peak   861 spectrum    1 weight  0.11000E+01 volume  0.52505E-02 ppm1      0.694 ppm2      1.537 CV     1
 OR {  861}
   (  segid "alk1" and resid 84   and name HD1%)
   (( segid "alk1" and resid 84   and name HB2 ))
 ASSI {  864}
   (  segid "alk1" and resid 84   and name HD2%)
   (( segid "alk1" and resid 71   and name HB1 ))
      2.300     2.300     3.700 peak   864 spectrum    1 weight  0.11000E+01 volume  0.19513E-02 ppm1      0.560 ppm2      2.940 CV     1
 ASSI {  866}
   (  segid "alk1" and resid 84   and name HD2%)
   (( segid "alk1" and resid 85   and name HN  ))
      4.000     2.000     2.000 peak   866 spectrum    1 weight  0.11000E+01 volume  0.48536E-03 ppm1      0.557 ppm2      7.831 CV     1
 ASSI {  868}
   (  segid "alk1" and resid 84   and name HD2%)
   (( segid "alk1" and resid 36   and name HB  ))
      3.100     1.200     1.200 peak   868 spectrum    1 weight  0.11000E+01 volume  0.14454E-02 ppm1      0.557 ppm2      1.957 CV     1
 ASSI {  869}
   (  segid "alk1" and resid 84   and name HD2%)
   (( segid "alk1" and resid 84   and name HB1 ))
      2.600     0.900     0.900 peak   869 spectrum    1 weight  0.11000E+01 volume  0.45415E-02 ppm1      0.561 ppm2      1.537 CV     1
 OR {  869}
   (  segid "alk1" and resid 84   and name HD2%)
   (( segid "alk1" and resid 84   and name HB2 ))
 ASSI {  870}
   (  segid "alk1" and resid 84   and name HD2%)
   (( segid "alk1" and resid 84   and name HG  ))
      2.500     0.800     0.800 peak   870 spectrum    1 weight  0.11000E+01 volume  0.35059E-02 ppm1      0.560 ppm2      1.412 CV     1
 ASSI {  871}
   (  segid "alk1" and resid 84   and name HD2%)
   (  segid "alk1" and resid 36   and name HG2%)
      2.600     0.800     0.800 peak   871 spectrum    1 weight  0.11000E+01 volume  0.36538E-02 ppm1      0.561 ppm2      0.910 CV     1
 ASSI {  872}
   (  segid "alk1" and resid 84   and name HD2%)
   (  segid "alk1" and resid 84   and name HD1%)
      1.500     0.300     0.700 peak   872 spectrum    1 weight  0.11000E+01 volume  0.93726E-01 ppm1      0.561 ppm2      0.686 CV     1
 ASSI {  873}
   (  segid "alk1" and resid 84   and name HD2%)
   (  segid "alk1" and resid 82   and name HG2%)
      3.800     1.800     1.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.11553E-03 ppm1      0.557 ppm2      0.215 CV     1
 ASSI {  874}
   (( segid "alk1" and resid 85   and name HB  ))
   (  segid "alk1" and resid 85   and name HG2%)
      1.900     0.500     0.500 peak   874 spectrum    1 weight  0.11000E+01 volume  0.21128E-01 ppm1      1.936 ppm2      0.790 CV     1
 OR {  874}
   (( segid "alk1" and resid 85   and name HB  ))
   (  segid "alk1" and resid 85   and name HG1%)
 ASSI {  876}
   (( segid "alk1" and resid 85   and name HB  ))
   (( segid "alk1" and resid 85   and name HA  ))
      2.600     0.800     0.800 peak   876 spectrum    1 weight  0.11000E+01 volume  0.35156E-02 ppm1      1.933 ppm2      3.953 CV     1
 ASSI {  877}
   (( segid "alk1" and resid 85   and name HB  ))
   (( segid "alk1" and resid 86   and name HN  ))
      3.300     1.400     1.400 peak   877 spectrum    1 weight  0.11000E+01 volume  0.18198E-02 ppm1      1.934 ppm2      8.062 CV     1
 ASSI {  880}
   (( segid "alk1" and resid 54   and name HB1 ))
   (( segid "alk1" and resid 55   and name HG  ))
      3.300     1.300     1.300 peak   880 spectrum    1 weight  0.11000E+01 volume  0.71372E-03 ppm1      2.483 ppm2      1.354 CV     1
 ASSI {  881}
   (( segid "alk1" and resid 54   and name HB1 ))
   (  segid "alk1" and resid 55   and name HD1%)
      3.800     1.800     1.800 peak   881 spectrum    1 weight  0.11000E+01 volume  0.80283E-03 ppm1      2.481 ppm2      0.829 CV     1
 ASSI {  882}
   (  segid "alk1" and resid 7    and name HG1%)
   (( segid "alk1" and resid 55   and name HB2 ))
      2.100     2.100     3.900 peak   882 spectrum    1 weight  0.11000E+01 volume  0.33084E-02 ppm1      0.917 ppm2      1.205 CV     1
 ASSI {  883}
   (  segid "alk1" and resid 16   and name HG2%)
   (  segid "alk1" and resid 77   and name HD2%)
      2.200     0.600     0.600 peak   883 spectrum    1 weight  0.11000E+01 volume  0.86532E-02 ppm1      1.157 ppm2      0.535 CV     1
 ASSI {  884}
   (  segid "alk1" and resid 18   and name HG2%)
   (  segid "alk1" and resid 77   and name HD2%)
      4.000     2.000     2.000 peak   884 spectrum    1 weight  0.11000E+01 volume  0.79522E-03 ppm1      1.221 ppm2      0.543 CV     1
 ASSI {  886}
   (  segid "alk1" and resid 38   and name HD1%)
   (( segid "alk1" and resid 46   and name HB1 ))
      2.800     1.000     1.000 peak   886 spectrum    1 weight  0.11000E+01 volume  0.29537E-02 ppm1      0.770 ppm2      2.039 CV     1
 ASSI {  888}
   (  segid "alk1" and resid 38   and name HD1%)
   (( segid "alk1" and resid 38   and name HG  ))
      2.400     0.700     0.700 peak   888 spectrum    1 weight  0.11000E+01 volume  0.47138E-02 ppm1      0.767 ppm2      1.392 CV     1
 ASSI {  890}
   (  segid "alk1" and resid 14   and name HD2%)
   (( segid "alk1" and resid 33   and name HN  ))
      6.000     4.600     0.000 peak   890 spectrum    1 weight  0.11000E+01 volume  0.67966E-04 ppm1      0.630 ppm2      7.837 CV     1
 ASSI {  892}
   (( segid "alk1" and resid 54   and name HB2 ))
   (( segid "alk1" and resid 55   and name HG  ))
      3.900     1.900     1.900 peak   892 spectrum    1 weight  0.11000E+01 volume  0.94695E-03 ppm1      2.349 ppm2      1.353 CV     1
 ASSI {  893}
   (( segid "alk1" and resid 47   and name HB2 ))
   (  segid "alk1" and resid 39   and name HG2%)
      5.500     3.800     0.500 peak   893 spectrum    1 weight  0.11000E+01 volume  0.43460E-04 ppm1      1.796 ppm2      0.575 CV     1
 ASSI {  895}
   (( segid "alk1" and resid 46   and name HB2 ))
   (( segid "alk1" and resid 46   and name HD1 ))
      6.000     5.500     0.000 peak   895 spectrum    1 weight  0.11000E+01 volume  0.51700E-04 ppm1      1.782 ppm2      3.840 CV     1
 ASSI {  896}
   (( segid "alk1" and resid 46   and name HB2 ))
   (( segid "alk1" and resid 45   and name HA  ))
      6.000     5.900     0.000 peak   896 spectrum    1 weight  0.11000E+01 volume  0.39287E-04 ppm1      1.786 ppm2      4.854 CV     1
 ASSI {  897}
   (( segid "alk1" and resid 46   and name HB2 ))
   (  segid "alk1" and resid 38   and name HD1%)
      4.000     2.000     2.000 peak   897 spectrum    1 weight  0.11000E+01 volume  0.21353E-03 ppm1      1.777 ppm2      0.774 CV     1
 ASSI {  899}
   (( segid "alk1" and resid 44   and name HG1 ))
   (( segid "alk1" and resid 44   and name HA  ))
      6.000     5.400     0.000 peak   899 spectrum    1 weight  0.11000E+01 volume  0.24257E-04 ppm1      1.520 ppm2      4.589 CV     1
 ASSI {  901}
   (( segid "alk1" and resid 42   and name HB2 ))
   (( segid "alk1" and resid 41   and name HA  ))
      5.300     3.500     0.700 peak   901 spectrum    1 weight  0.11000E+01 volume  0.94081E-04 ppm1      1.971 ppm2      4.391 CV     1
 OR {  901}
   (( segid "alk1" and resid 42   and name HB1 ))
   (( segid "alk1" and resid 41   and name HA  ))
 ASSI {  905}
   (( segid "alk1" and resid 41   and name HB1 ))
   (( segid "alk1" and resid 44   and name HD1 ))
      5.300     3.500     0.700 peak   905 spectrum    1 weight  0.11000E+01 volume  0.55277E-04 ppm1      1.915 ppm2      3.124 CV     1
 OR {  905}
   (( segid "alk1" and resid 41   and name HB1 ))
   (( segid "alk1" and resid 44   and name HD2 ))
 ASSI {  906}
   (( segid "alk1" and resid 41   and name HB1 ))
   (( segid "alk1" and resid 42   and name HN  ))
      4.900     3.000     1.100 peak   906 spectrum    1 weight  0.11000E+01 volume  0.83367E-04 ppm1      1.910 ppm2      8.640 CV     1
 ASSI {  907}
   (( segid "alk1" and resid 54   and name HB1 ))
   (( segid "alk1" and resid 10   and name HA  ))
      6.000     5.800     0.000 peak   907 spectrum    1 weight  0.11000E+01 volume  0.11649E-04 ppm1      2.475 ppm2      4.378 CV     1
 ASSI {  908}
   (( segid "alk1" and resid 54   and name HB1 ))
   (( segid "alk1" and resid 55   and name HA  ))
      6.000     6.000     0.000 peak   908 spectrum    1 weight  0.11000E+01 volume  0.10981E-04 ppm1      2.483 ppm2      4.665 CV     1
 ASSI {  909}
   (( segid "alk1" and resid 54   and name HB1 ))
   (( segid "alk1" and resid 32   and name HN  ))
      6.000     6.000     0.000 peak   909 spectrum    1 weight  0.11000E+01 volume  0.17818E-04 ppm1      2.473 ppm2      7.728 CV     1
 ASSI {  910}
   (( segid "alk1" and resid 56   and name HB1 ))
   (( segid "alk1" and resid 59   and name HB2 ))
      6.000     6.000     0.000 peak   910 spectrum    1 weight  0.11000E+01 volume  0.15187E-04 ppm1      3.485 ppm2      1.408 CV     1
 ASSI {  913}
   (( segid "alk1" and resid 56   and name HB2 ))
   (( segid "alk1" and resid 53   and name HA2 ))
      6.000     5.500     0.000 peak   913 spectrum    1 weight  0.10000E+01 volume  0.11229E-04 ppm1      3.142 ppm2      2.262 CV     1
 ASSI {  914}
   (( segid "alk1" and resid 55   and name HG  ))
   (( segid "alk1" and resid 55   and name HA  ))
      6.000     5.300     0.000 peak   914 spectrum    1 weight  0.11000E+01 volume  0.23877E-04 ppm1      1.348 ppm2      4.649 CV     1
 ASSI {  918}
   (( segid "alk1" and resid 55   and name HG  ))
   (( segid "alk1" and resid 31   and name HA2 ))
      5.800     5.800     0.200 peak   918 spectrum    1 weight  0.11000E+01 volume  0.81697E-05 ppm1      1.348 ppm2      3.358 CV     1
 ASSI {  919}
   (( segid "alk1" and resid 55   and name HG  ))
   (  segid "alk1" and resid 55   and name HD1%)
      4.100     4.100     1.900 peak   919 spectrum    1 weight  0.11000E+01 volume  0.20472E-03 ppm1      1.342 ppm2      0.823 CV     1
 OR {  919}
   (( segid "alk1" and resid 55   and name HG  ))
   (  segid "alk1" and resid 55   and name HD2%)
 ASSI {  921}
   (( segid "alk1" and resid 57   and name HD1 ))
   (( segid "alk1" and resid 57   and name HG2 ))
      5.500     3.800     0.500 peak   921 spectrum    1 weight  0.11000E+01 volume  0.31405E-04 ppm1      1.969 ppm2      0.759 CV     1
 ASSI {  922}
   (( segid "alk1" and resid 57   and name HD1 ))
   (( segid "alk1" and resid 57   and name HG1 ))
      5.500     3.800     0.500 peak   922 spectrum    1 weight  0.11000E+01 volume  0.50054E-04 ppm1      1.962 ppm2      1.184 CV     1
 ASSI {  925}
   (( segid "alk1" and resid 57   and name HD1 ))
   (( segid "alk1" and resid 60   and name HB2 ))
      6.000     6.000     0.000 peak   925 spectrum    1 weight  0.11000E+01 volume  0.15914E-04 ppm1      1.975 ppm2      2.833 CV     1
 ASSI {  929}
   (( segid "alk1" and resid 57   and name HG1 ))
   (( segid "alk1" and resid 57   and name HD2 ))
      5.000     3.100     1.000 peak   929 spectrum    1 weight  0.11000E+01 volume  0.55877E-04 ppm1      1.183 ppm2      1.663 CV     1
 ASSI {  935}
   (( segid "alk1" and resid 27   and name HG1 ))
   (( segid "alk1" and resid 27   and name HA  ))
      6.000     5.500     0.000 peak   935 spectrum    1 weight  0.11000E+01 volume  0.46816E-04 ppm1      1.990 ppm2      4.826 CV     1
 ASSI {  936}
   (( segid "alk1" and resid 58   and name HG2 ))
   (  segid "alk1" and resid 59   and name HD2%)
      6.000     5.700     0.000 peak   936 spectrum    1 weight  0.11000E+01 volume  0.26893E-04 ppm1      2.459 ppm2      0.715 CV     1
 ASSI {  937}
   (( segid "alk1" and resid 58   and name HG2 ))
   (( segid "alk1" and resid 59   and name HB1 ))
      6.000     6.000     0.000 peak   937 spectrum    1 weight  0.11000E+01 volume  0.19164E-04 ppm1      2.456 ppm2      0.886 CV     1
 ASSI {  938}
   (( segid "alk1" and resid 58   and name HG1 ))
   (( segid "alk1" and resid 59   and name HG  ))
      5.900     4.300     0.100 peak   938 spectrum    1 weight  0.11000E+01 volume  0.23875E-04 ppm1      2.075 ppm2      1.522 CV     1
 ASSI {  942}
   (( segid "alk1" and resid 61   and name HG1 ))
   (( segid "alk1" and resid 57   and name HG2 ))
      4.400     2.500     1.600 peak   942 spectrum    1 weight  0.11000E+01 volume  0.42699E-04 ppm1      1.593 ppm2      0.764 CV     1
 OR {  942}
   (( segid "alk1" and resid 61   and name HG2 ))
   (( segid "alk1" and resid 57   and name HG2 ))
 ASSI {    5}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 59   and name HA  ))
      2.800     1.000     1.000 peak     5 spectrum    1 weight  0.11000E+01 volume  0.24674E-02 ppm1      7.344 ppm2      4.061 CV     1
 OR {    5}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 58   and name HA  ))
 ASSI {   48}
   (( segid "alk1" and resid 38   and name HN  ))
   (  segid "alk1" and resid 37   and name HG2%)
      3.300     1.400     1.400 peak    48 spectrum    1 weight  0.11000E+01 volume  0.34184E-02 ppm1      8.454 ppm2      0.768 CV     1
 OR {   48}
   (( segid "alk1" and resid 38   and name HN  ))
   (  segid "alk1" and resid 38   and name HD1%)
 OR {   48}
   (( segid "alk1" and resid 38   and name HN  ))
   (  segid "alk1" and resid 38   and name HD2%)
 ASSI {   49}
   (( segid "alk1" and resid 38   and name HN  ))
   (  segid "alk1" and resid 84   and name HD1%)
      3.200     1.300     1.300 peak    49 spectrum    1 weight  0.11000E+01 volume  0.16808E-02 ppm1      8.454 ppm2      0.685 CV     1
 OR {   49}
   (( segid "alk1" and resid 38   and name HN  ))
   (  segid "alk1" and resid 37   and name HG1%)
 ASSI {   51}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 20   and name HA  ))
      2.800     1.000     1.000 peak    51 spectrum    1 weight  0.11000E+01 volume  0.20775E-02 ppm1      9.106 ppm2      4.508 CV     1
 OR {   51}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 51   and name HA1 ))
 OR {   51}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 21   and name HA  ))
 ASSI {   57}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 22   and name HB2 ))
      3.800     3.800     2.200 peak    57 spectrum    1 weight  0.11000E+01 volume  0.14174E-02 ppm1      9.105 ppm2      1.498 CV     1
 OR {   57}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 50   and name HG2 ))
 OR {   57}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 50   and name HG1 ))
 ASSI {   64}
   (( segid "alk1" and resid 40   and name HN  ))
   (( segid "alk1" and resid 40   and name HB2 ))
      3.000     1.100     1.100 peak    64 spectrum    1 weight  0.11000E+01 volume  0.15494E-02 ppm1      8.667 ppm2      1.736 CV     1
 OR {   64}
   (( segid "alk1" and resid 40   and name HN  ))
   (( segid "alk1" and resid 39   and name HB  ))
 ASSI {   66}
   (( segid "alk1" and resid 84   and name HN  ))
   (  segid "alk1" and resid 85   and name HG1%)
      3.800     1.800     1.800 peak    66 spectrum    1 weight  0.11000E+01 volume  0.46119E-03 ppm1      9.624 ppm2      0.778 CV     1
 OR {   66}
   (( segid "alk1" and resid 84   and name HN  ))
   (  segid "alk1" and resid 82   and name HG1%)
 OR {   66}
   (( segid "alk1" and resid 84   and name HN  ))
   (  segid "alk1" and resid 85   and name HG2%)
 ASSI {   91}
   (( segid "alk1" and resid 71   and name HN  ))
   (( segid "alk1" and resid 37   and name HA  ))
      4.100     2.100     1.900 peak    91 spectrum    1 weight  0.11000E+01 volume  0.35746E-03 ppm1      9.069 ppm2      4.797 CV     1
 OR {   91}
   (( segid "alk1" and resid 71   and name HN  ))
   (( segid "alk1" and resid 36   and name HA  ))
 ASSI {  100}
   (( segid "alk1" and resid 71   and name HN  ))
   (  segid "alk1" and resid 37   and name HG1%)
      4.000     2.000     2.000 peak   100 spectrum    1 weight  0.11000E+01 volume  0.12985E-02 ppm1      9.069 ppm2      0.686 CV     1
 OR {  100}
   (( segid "alk1" and resid 71   and name HN  ))
   (  segid "alk1" and resid 84   and name HD1%)
 ASSI {  107}
   (( segid "alk1" and resid 37   and name HN  ))
   (  segid "alk1" and resid 84   and name HD1%)
      2.900     1.000     1.000 peak   107 spectrum    1 weight  0.11000E+01 volume  0.18163E-02 ppm1      9.045 ppm2      0.676 CV     1
 OR {  107}
   (( segid "alk1" and resid 37   and name HN  ))
   (  segid "alk1" and resid 37   and name HG1%)
 ASSI {  117}
   (( segid "alk1" and resid 41   and name HN  ))
   (( segid "alk1" and resid 45   and name HB1 ))
      4.500     2.500     1.500 peak   117 spectrum    1 weight  0.11000E+01 volume  0.27563E-03 ppm1      8.460 ppm2      3.103 CV     1
 OR {  117}
   (( segid "alk1" and resid 41   and name HN  ))
   (( segid "alk1" and resid 44   and name HD1 ))
 OR {  117}
   (( segid "alk1" and resid 41   and name HN  ))
   (( segid "alk1" and resid 44   and name HD2 ))
 ASSI {  121}
   (( segid "alk1" and resid 41   and name HN  ))
   (( segid "alk1" and resid 41   and name HB2 ))
      2.400     0.700     0.700 peak   121 spectrum    1 weight  0.11000E+01 volume  0.72981E-02 ppm1      8.458 ppm2      1.756 CV     1
 OR {  121}
   (( segid "alk1" and resid 41   and name HN  ))
   (( segid "alk1" and resid 40   and name HB2 ))
 ASSI {  127}
   (( segid "alk1" and resid 86   and name HN  ))
   (( segid "alk1" and resid 85   and name HB  ))
      3.600     1.600     1.600 peak   127 spectrum    1 weight  0.11000E+01 volume  0.11283E-02 ppm1      8.058 ppm2      1.938 CV     1
 OR {  127}
   (( segid "alk1" and resid 86   and name HN  ))
   (( segid "alk1" and resid 87   and name HB2 ))
 ASSI {  167}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 31   and name HA1 ))
      2.000     0.500     0.500 peak   167 spectrum    1 weight  0.11000E+01 volume  0.76371E-02 ppm1      7.732 ppm2      4.410 CV     1
 OR {  167}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 32   and name HA  ))
 ASSI {  168}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 54   and name HA  ))
      2.900     1.000     1.000 peak   168 spectrum    1 weight  0.11000E+01 volume  0.16419E-02 ppm1      7.735 ppm2      4.035 CV     1
 OR {  168}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 53   and name HA1 ))
 ASSI {  182}
   (( segid "alk1" and resid 21   and name HN  ))
   (( segid "alk1" and resid 21   and name HB2 ))
      3.400     1.400     1.400 peak   182 spectrum    1 weight  0.11000E+01 volume  0.69760E-03 ppm1      7.773 ppm2      3.809 CV     1
 OR {  182}
   (( segid "alk1" and resid 21   and name HN  ))
   (( segid "alk1" and resid 19   and name HB1 ))
 ASSI {  184}
   (( segid "alk1" and resid 21   and name HN  ))
   (( segid "alk1" and resid 20   and name HA  ))
      1.900     0.400     0.400 peak   184 spectrum    1 weight  0.11000E+01 volume  0.16777E-01 ppm1      7.771 ppm2      4.518 CV     1
 OR {  184}
   (( segid "alk1" and resid 21   and name HN  ))
   (( segid "alk1" and resid 21   and name HA  ))
 ASSI {  186}
   (( segid "alk1" and resid 21   and name HN  ))
   (( segid "alk1" and resid 27   and name HD1 ))
      4.400     2.400     1.600 peak   186 spectrum    1 weight  0.11000E+01 volume  0.46893E-03 ppm1      7.771 ppm2      3.529 CV     1
 OR {  186}
   (( segid "alk1" and resid 21   and name HN  ))
   (( segid "alk1" and resid 24   and name HB1 ))
 ASSI {  215}
   (( segid "alk1" and resid 49   and name HN  ))
   (( segid "alk1" and resid 37   and name HB  ))
      3.200     1.300     1.300 peak   215 spectrum    1 weight  0.11000E+01 volume  0.18977E-02 ppm1      9.193 ppm2      1.836 CV     1
 OR {  215}
   (( segid "alk1" and resid 49   and name HN  ))
   (( segid "alk1" and resid 48   and name HB1 ))
 ASSI {  246}
   (( segid "alk1" and resid 11   and name HN  ))
   (  segid "alk1" and resid 7    and name HG2%)
      5.500     3.700     0.500 peak   246 spectrum    1 weight  0.10000E+01 volume  0.12786E-04 ppm1      8.333 ppm2      0.872 CV     1
 OR {  246}
   (( segid "alk1" and resid 94   and name HN  ))
   (  segid "alk1" and resid 36   and name HG2%)
 ASSI {  250}
   (( segid "alk1" and resid 50   and name HN  ))
   (( segid "alk1" and resid 50   and name HB1 ))
      3.000     1.200     1.200 peak   250 spectrum    1 weight  0.11000E+01 volume  0.23904E-02 ppm1      8.847 ppm2      1.821 CV     1
 OR {  250}
   (( segid "alk1" and resid 50   and name HN  ))
   (( segid "alk1" and resid 20   and name HB2 ))
 ASSI {  254}
   (( segid "alk1" and resid 48   and name HN  ))
   (( segid "alk1" and resid 47   and name HB1 ))
      2.600     0.800     0.800 peak   254 spectrum    1 weight  0.11000E+01 volume  0.50638E-02 ppm1      8.748 ppm2      2.015 CV     1
 OR {  254}
   (( segid "alk1" and resid 48   and name HN  ))
   (( segid "alk1" and resid 48   and name HG1 ))
 OR {  254}
   (( segid "alk1" and resid 48   and name HN  ))
   (( segid "alk1" and resid 48   and name HG2 ))
 ASSI {  255}
   (( segid "alk1" and resid 48   and name HN  ))
   (( segid "alk1" and resid 48   and name HB1 ))
      2.400     0.700     0.700 peak   255 spectrum    1 weight  0.11000E+01 volume  0.62341E-02 ppm1      8.749 ppm2      1.824 CV     1
 OR {  255}
   (( segid "alk1" and resid 48   and name HN  ))
   (( segid "alk1" and resid 48   and name HB2 ))
 OR {  255}
   (( segid "alk1" and resid 48   and name HN  ))
   (( segid "alk1" and resid 47   and name HB2 ))
 ASSI {  292}
   (( segid "alk1" and resid 95   and name HN  ))
   (( segid "alk1" and resid 95   and name HG1 ))
      3.600     1.600     1.600 peak   292 spectrum    1 weight  0.11000E+01 volume  0.80068E-03 ppm1      8.324 ppm2      2.349 CV     1
 OR {  292}
   (( segid "alk1" and resid 95   and name HN  ))
   (( segid "alk1" and resid 95   and name HG2 ))
 OR {  292}
   (( segid "alk1" and resid 95   and name HN  ))
   (( segid "alk1" and resid 94   and name HG1 ))
 OR {  292}
   (( segid "alk1" and resid 95   and name HN  ))
   (( segid "alk1" and resid 94   and name HG2 ))
 ASSI {  293}
   (( segid "alk1" and resid 95   and name HN  ))
   (( segid "alk1" and resid 95   and name HB2 ))
      3.000     1.100     1.100 peak   293 spectrum    1 weight  0.11000E+01 volume  0.20878E-02 ppm1      8.325 ppm2      2.054 CV     1
 OR {  293}
   (( segid "alk1" and resid 95   and name HN  ))
   (( segid "alk1" and resid 94   and name HB2 ))
 ASSI {  341}
   (( segid "alk1" and resid 16   and name HN  ))
   (( segid "alk1" and resid 76   and name HA  ))
      3.000     1.100     1.100 peak   341 spectrum    1 weight  0.11000E+01 volume  0.21359E-02 ppm1      8.891 ppm2      4.554 CV     1
 OR {  341}
   (( segid "alk1" and resid 16   and name HN  ))
   (( segid "alk1" and resid 14   and name HA  ))
 ASSI {  349}
   (( segid "alk1" and resid 15   and name HN  ))
   (( segid "alk1" and resid 14   and name HB1 ))
      2.700     0.900     0.900 peak   349 spectrum    1 weight  0.11000E+01 volume  0.32313E-02 ppm1      9.110 ppm2      1.578 CV     1
 OR {  349}
   (( segid "alk1" and resid 15   and name HN  ))
   (( segid "alk1" and resid 30   and name HB2 ))
 OR {  349}
   (( segid "alk1" and resid 15   and name HN  ))
   (( segid "alk1" and resid 30   and name HG2 ))
 ASSI {  405}
   (( segid "alk1" and resid 45   and name HN  ))
   (( segid "alk1" and resid 44   and name HB1 ))
      3.000     1.100     1.100 peak   405 spectrum    1 weight  0.11000E+01 volume  0.15627E-02 ppm1      8.515 ppm2      1.896 CV     1
 OR {  405}
   (( segid "alk1" and resid 45   and name HN  ))
   (( segid "alk1" and resid 41   and name HB1 ))
 ASSI {  437}
   (( segid "alk1" and resid 52   and name HN  ))
   (( segid "alk1" and resid 52   and name HB1 ))
      2.800     1.000     1.000 peak   437 spectrum    1 weight  0.11000E+01 volume  0.23876E-02 ppm1      8.322 ppm2      2.897 CV     1
 OR {  437}
   (( segid "alk1" and resid 52   and name HN  ))
   (( segid "alk1" and resid 23   and name HB2 ))
 OR {  437}
   (( segid "alk1" and resid 52   and name HN  ))
   (( segid "alk1" and resid 17   and name HB2 ))
 ASSI {  444}
   (( segid "alk1" and resid 79   and name HN  ))
   (( segid "alk1" and resid 78   and name HB2 ))
      4.600     2.600     1.400 peak   444 spectrum    1 weight  0.11000E+01 volume  0.46930E-03 ppm1      8.435 ppm2      3.394 CV     1
 OR {  444}
   (( segid "alk1" and resid 79   and name HN  ))
   (( segid "alk1" and resid 80   and name HB2 ))
 ASSI {  445}
   (( segid "alk1" and resid 79   and name HN  ))
   (( segid "alk1" and resid 79   and name HA  ))
      2.600     0.900     0.900 peak   445 spectrum    1 weight  0.11000E+01 volume  0.30360E-02 ppm1      8.433 ppm2      4.432 CV     1
 OR {  445}
   (( segid "alk1" and resid 79   and name HN  ))
   (( segid "alk1" and resid 78   and name HA  ))
 ASSI {  453}
   (( segid "alk1" and resid 44   and name HN  ))
   (( segid "alk1" and resid 44   and name HB1 ))
      2.900     1.100     1.100 peak   453 spectrum    1 weight  0.11000E+01 volume  0.20903E-02 ppm1      7.906 ppm2      1.894 CV     1
 OR {  453}
   (( segid "alk1" and resid 44   and name HN  ))
   (( segid "alk1" and resid 41   and name HB1 ))
 ASSI {  481}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 74   and name HA  ))
      4.300     2.300     1.700 peak   481 spectrum    1 weight  0.11000E+01 volume  0.47141E-03 ppm1      9.305 ppm2      5.172 CV     1
 OR {  481}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 52   and name HA  ))
 ASSI {  483}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 33   and name HB1 ))
      3.800     1.800     1.800 peak   483 spectrum    1 weight  0.11000E+01 volume  0.18612E-02 ppm1      9.305 ppm2      3.532 CV     1
 OR {  483}
   (( segid "alk1" and resid 34   and name HN  ))
   (( segid "alk1" and resid 73   and name HB2 ))
 ASSI {  495}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 35   and name HA  ))
      3.800     1.800     1.800 peak   495 spectrum    1 weight  0.11000E+01 volume  0.94440E-03 ppm1      8.844 ppm2      5.914 CV     1
 OR {  495}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 34   and name HA  ))
 ASSI {  498}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 73   and name HB2 ))
      3.700     1.700     1.700 peak   498 spectrum    1 weight  0.11000E+01 volume  0.43661E-03 ppm1      8.846 ppm2      3.548 CV     1
 OR {  498}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 33   and name HB1 ))
 ASSI {  499}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 73   and name HB1 ))
      3.300     1.300     1.300 peak   499 spectrum    1 weight  0.11000E+01 volume  0.11535E-02 ppm1      8.845 ppm2      3.178 CV     1
 OR {  499}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 34   and name HB2 ))
 OR {  499}
   (( segid "alk1" and resid 73   and name HN  ))
   (( segid "alk1" and resid 34   and name HB1 ))
 ASSI {  511}
   (( segid "alk1" and resid 54   and name HN  ))
   (( segid "alk1" and resid 54   and name HA  ))
      3.000     1.100     1.100 peak   511 spectrum    1 weight  0.11000E+01 volume  0.13066E-02 ppm1      8.108 ppm2      4.050 CV     1
 OR {  511}
   (( segid "alk1" and resid 54   and name HN  ))
   (( segid "alk1" and resid 53   and name HA1 ))
 ASSI {  524}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 59   and name HA  ))
      3.100     1.200     1.200 peak   524 spectrum    1 weight  0.11000E+01 volume  0.13525E-02 ppm1      7.635 ppm2      4.059 CV     1
 OR {  524}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 58   and name HA  ))
 ASSI {  525}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 57   and name HA  ))
      4.100     2.100     1.900 peak   525 spectrum    1 weight  0.11000E+01 volume  0.29876E-03 ppm1      7.635 ppm2      3.332 CV     1
 OR {  525}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 70   and name HB1 ))
 ASSI {  539}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 78   and name HA  ))
      4.200     2.200     1.800 peak   539 spectrum    1 weight  0.10000E+01 volume  0.79606E-03 ppm1      7.643 ppm2      4.436 CV     1
 OR {  539}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 15   and name HA  ))
 ASSI {  541}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak   541 spectrum    1 weight  0.11000E+01 volume  0.35854E-02 ppm1      7.643 ppm2      3.851 CV     1
 OR {  541}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 78   and name HB1 ))
 ASSI {  542}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 73   and name HB2 ))
      4.100     2.100     1.900 peak   542 spectrum    1 weight  0.11000E+01 volume  0.95382E-03 ppm1      7.643 ppm2      3.568 CV     1
 OR {  542}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 33   and name HB1 ))
 ASSI {  544}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 73   and name HB1 ))
      3.700     1.700     1.700 peak   544 spectrum    1 weight  0.11000E+01 volume  0.39545E-03 ppm1      7.642 ppm2      3.176 CV     1
 OR {  544}
   (( segid "alk1" and resid 75   and name HN  ))
   (( segid "alk1" and resid 34   and name HB2 ))
 ASSI {  559}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 32   and name HA  ))
      3.300     1.400     1.400 peak   559 spectrum    1 weight  0.11000E+01 volume  0.20629E-02 ppm1      7.833 ppm2      4.422 CV     1
 OR {  559}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 31   and name HA1 ))
 ASSI {  560}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 54   and name HA  ))
      4.500     2.600     1.500 peak   560 spectrum    1 weight  0.11000E+01 volume  0.46836E-03 ppm1      7.833 ppm2      4.041 CV     1
 OR {  560}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 53   and name HA1 ))
 ASSI {  562}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 33   and name HB2 ))
      3.800     1.800     1.800 peak   562 spectrum    1 weight  0.11000E+01 volume  0.13512E-02 ppm1      7.833 ppm2      3.328 CV     1
 OR {  562}
   (( segid "alk1" and resid 33   and name HN  ))
   (( segid "alk1" and resid 31   and name HA2 ))
 ASSI {  573}
   (( segid "alk1" and resid 43   and name HN  ))
   (( segid "alk1" and resid 42   and name HA  ))
      2.100     0.500     0.500 peak   573 spectrum    1 weight  0.11000E+01 volume  0.12373E-01 ppm1      8.672 ppm2      4.034 CV     1
 OR {  573}
   (( segid "alk1" and resid 43   and name HN  ))
   (( segid "alk1" and resid 43   and name HA2 ))
 ASSI {  583}
   (( segid "alk1" and resid 31   and name HN  ))
   (( segid "alk1" and resid 30   and name HB1 ))
      2.700     0.900     0.900 peak   583 spectrum    1 weight  0.11000E+01 volume  0.38053E-02 ppm1      8.865 ppm2      1.603 CV     1
 OR {  583}
   (( segid "alk1" and resid 31   and name HN  ))
   (( segid "alk1" and resid 30   and name HB2 ))
 OR {  583}
   (( segid "alk1" and resid 31   and name HN  ))
   (( segid "alk1" and resid 14   and name HB1 ))
 ASSI {  587}
   (( segid "alk1" and resid 65   and name HN  ))
   (( segid "alk1" and resid 64   and name HA  ))
      2.500     0.800     0.800 peak   587 spectrum    1 weight  0.11000E+01 volume  0.51680E-02 ppm1      7.941 ppm2      4.487 CV     1
 OR {  587}
   (( segid "alk1" and resid 65   and name HN  ))
   (( segid "alk1" and resid 65   and name HB  ))
 ASSI {  588}
   (( segid "alk1" and resid 65   and name HN  ))
   (( segid "alk1" and resid 64   and name HB2 ))
      5.000     3.100     1.000 peak   588 spectrum    1 weight  0.11000E+01 volume  0.78312E-04 ppm1      7.941 ppm2      1.983 CV     1
 OR {  588}
   (( segid "alk1" and resid 65   and name HN  ))
   (( segid "alk1" and resid 66   and name HG1 ))
 ASSI {  623}
   (( segid "alk1" and resid 26   and name HN  ))
   (( segid "alk1" and resid 25   and name HB1 ))
      3.900     1.900     1.900 peak   623 spectrum    1 weight  0.11000E+01 volume  0.95446E-03 ppm1      7.768 ppm2      1.993 CV     1
 OR {  623}
   (( segid "alk1" and resid 26   and name HN  ))
   (( segid "alk1" and resid 27   and name HG1 ))
 OR {  623}
   (( segid "alk1" and resid 26   and name HN  ))
   (( segid "alk1" and resid 27   and name HG2 ))
 ASSI {  627}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 27   and name HD2 ))
      3.000     1.200     1.200 peak   627 spectrum    1 weight  0.11000E+01 volume  0.18152E-02 ppm1      7.599 ppm2      3.794 CV     1
 OR {  627}
   (( segid "alk1" and resid 28   and name HN  ))
   (( segid "alk1" and resid 19   and name HB1 ))
 ASSI {  642}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 19   and name HN  ))
      4.600     2.600     1.400 peak   642 spectrum    1 weight  0.11000E+01 volume  0.23655E-03 ppm1      9.105 ppm2      8.222 CV     1
 OR {  642}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 51   and name HN  ))
 ASSI {  668}
   (( segid "alk1" and resid 17   and name HN  ))
   (( segid "alk1" and resid 29   and name HN  ))
      2.800     1.000     1.000 peak   668 spectrum    1 weight  0.11000E+01 volume  0.24762E-02 ppm1      9.166 ppm2      8.877 CV     1
 OR {  668}
   (( segid "alk1" and resid 17   and name HN  ))
   (( segid "alk1" and resid 16   and name HN  ))
 ASSI {  669}
   (( segid "alk1" and resid 77   and name HN  ))
   (( segid "alk1" and resid 18   and name HN  ))
      4.400     2.500     1.600 peak   669 spectrum    1 weight  0.11000E+01 volume  0.41261E-03 ppm1      9.772 ppm2      8.910 CV     1
 OR {  669}
   (( segid "alk1" and resid 77   and name HN  ))
   (( segid "alk1" and resid 16   and name HN  ))
 ASSI {  688}
   (( segid "alk1" and resid 17   and name HN  ))
   (( segid "alk1" and resid 76   and name HB1 ))
      4.400     2.400     1.600 peak   688 spectrum    1 weight  0.10000E+01 volume  0.46058E-03 ppm1      9.166 ppm2      3.062 CV     1
 OR {  688}
   (( segid "alk1" and resid 17   and name HN  ))
   (( segid "alk1" and resid 76   and name HB2 ))
 OR {  688}
   (( segid "alk1" and resid 17   and name HN  ))
   (( segid "alk1" and resid 30   and name HD1 ))
 OR {  688}
   (( segid "alk1" and resid 17   and name HN  ))
   (( segid "alk1" and resid 30   and name HD2 ))
 ASSI {  697}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 80   and name HB1 ))
      3.600     1.600     1.600 peak   697 spectrum    1 weight  0.11000E+01 volume  0.17267E-02 ppm1      8.932 ppm2      3.204 CV     1
 OR {  697}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 34   and name HB1 ))
 OR {  697}
   (( segid "alk1" and resid 18   and name HN  ))
   (( segid "alk1" and resid 50   and name HD1 ))
 ASSI {  708}
   (( segid "alk1" and resid 19   and name HN  ))
   (( segid "alk1" and resid 26   and name HN  ))
      5.500     3.800     0.500 peak   708 spectrum    1 weight  0.10000E+01 volume  0.98939E-04 ppm1      8.233 ppm2      7.760 CV     1
 OR {  708}
   (( segid "alk1" and resid 19   and name HN  ))
   (( segid "alk1" and resid 21   and name HN  ))
 OR {  708}
   (( segid "alk1" and resid 19   and name HN  ))
   (( segid "alk1" and resid 80   and name HN  ))
 ASSI {  722}
   (( segid "alk1" and resid 30   and name HN  ))
   (( segid "alk1" and resid 29   and name HN  ))
      3.700     1.700     1.700 peak   722 spectrum    1 weight  0.11000E+01 volume  0.10214E-02 ppm1      8.484 ppm2      8.867 CV     1
 OR {  722}
   (( segid "alk1" and resid 30   and name HN  ))
   (( segid "alk1" and resid 31   and name HN  ))
 ASSI {  726}
   (( segid "alk1" and resid 30   and name HN  ))
   (  segid "alk1" and resid 14   and name HD1%)
      6.000     4.500     0.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.76156E-04 ppm1      8.479 ppm2      0.768 CV     1
 OR {  726}
   (( segid "alk1" and resid 30   and name HN  ))
   (  segid "alk1" and resid 15   and name HG1%)
 ASSI {  740}
   (( segid "alk1" and resid 33   and name HN  ))
   (  segid "alk1" and resid 14   and name HD2%)
      3.300     3.300     2.700 peak   740 spectrum    1 weight  0.10000E+01 volume  0.36142E-03 ppm1      7.834 ppm2      0.652 CV     1
 OR {  740}
   (( segid "alk1" and resid 33   and name HN  ))
   (  segid "alk1" and resid 37   and name HG1%)
 OR {  740}
   (( segid "alk1" and resid 33   and name HN  ))
   (  segid "alk1" and resid 77   and name HD1%)
 ASSI {  752}
   (( segid "alk1" and resid 35   and name HN  ))
   (  segid "alk1" and resid 37   and name HG1%)
      5.300     3.500     0.700 peak   752 spectrum    1 weight  0.10000E+01 volume  0.12212E-03 ppm1      8.934 ppm2      0.666 CV     1
 OR {  752}
   (( segid "alk1" and resid 35   and name HN  ))
   (  segid "alk1" and resid 84   and name HD1%)
 ASSI {  753}
   (( segid "alk1" and resid 35   and name HN  ))
   (  segid "alk1" and resid 15   and name HG1%)
      4.900     3.000     1.100 peak   753 spectrum    1 weight  0.10000E+01 volume  0.22215E-03 ppm1      8.937 ppm2      0.790 CV     1
 OR {  753}
   (( segid "alk1" and resid 35   and name HN  ))
   (  segid "alk1" and resid 82   and name HG1%)
 OR {  753}
   (( segid "alk1" and resid 35   and name HN  ))
   (  segid "alk1" and resid 59   and name HD1%)
 OR {  753}
   (( segid "alk1" and resid 35   and name HN  ))
   (  segid "alk1" and resid 15   and name HG2%)
 ASSI {  754}
   (( segid "alk1" and resid 35   and name HN  ))
   (  segid "alk1" and resid 32   and name HB% )
      6.000     4.900     0.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.52317E-04 ppm1      8.938 ppm2      1.514 CV     1
 OR {  754}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 50   and name HG2 ))
 OR {  754}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 50   and name HG1 ))
 OR {  754}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 82   and name HB  ))
 OR {  754}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 59   and name HG  ))
 ASSI {  757}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 79   and name HB2 ))
      4.000     2.000     2.000 peak   757 spectrum    1 weight  0.11000E+01 volume  0.66377E-03 ppm1      8.936 ppm2      2.432 CV     1
 OR {  757}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 52   and name HB2 ))
 ASSI {  758}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 17   and name HB2 ))
      3.900     1.900     1.900 peak   758 spectrum    1 weight  0.11000E+01 volume  0.75975E-03 ppm1      8.936 ppm2      2.863 CV     1
 OR {  758}
   (( segid "alk1" and resid 35   and name HN  ))
   (( segid "alk1" and resid 52   and name HB1 ))
 ASSI {  780}
   (( segid "alk1" and resid 36   and name HN  ))
   (( segid "alk1" and resid 71   and name HN  ))
      2.800     1.000     1.000 peak   780 spectrum    1 weight  0.11000E+01 volume  0.18050E-02 ppm1      8.841 ppm2      9.060 CV     1
 OR {  780}
   (( segid "alk1" and resid 36   and name HN  ))
   (( segid "alk1" and resid 37   and name HN  ))
 ASSI {  793}
   (( segid "alk1" and resid 37   and name HN  ))
   (( segid "alk1" and resid 48   and name HA  ))
      3.600     1.600     1.600 peak   793 spectrum    1 weight  0.11000E+01 volume  0.92013E-03 ppm1      9.042 ppm2      5.087 CV     1
 OR {  793}
   (( segid "alk1" and resid 37   and name HN  ))
   (( segid "alk1" and resid 70   and name HA  ))
 ASSI {  802}
   (( segid "alk1" and resid 38   and name HN  ))
   (( segid "alk1" and resid 70   and name HA  ))
      4.100     2.100     1.900 peak   802 spectrum    1 weight  0.11000E+01 volume  0.84939E-03 ppm1      8.453 ppm2      5.061 CV     1
 OR {  802}
   (( segid "alk1" and resid 38   and name HN  ))
   (( segid "alk1" and resid 48   and name HA  ))
 ASSI {  804}
   (( segid "alk1" and resid 38   and name HN  ))
   (( segid "alk1" and resid 37   and name HN  ))
      3.800     1.800     1.800 peak   804 spectrum    1 weight  0.11000E+01 volume  0.84058E-03 ppm1      8.455 ppm2      9.060 CV     1
 OR {  804}
   (( segid "alk1" and resid 38   and name HN  ))
   (( segid "alk1" and resid 71   and name HN  ))
 ASSI {  818}
   (( segid "alk1" and resid 40   and name HN  ))
   (( segid "alk1" and resid 40   and name HG2 ))
      3.400     1.400     1.400 peak   818 spectrum    1 weight  0.11000E+01 volume  0.85670E-03 ppm1      8.668 ppm2      1.394 CV     1
 OR {  818}
   (( segid "alk1" and resid 40   and name HN  ))
   (( segid "alk1" and resid 38   and name HG  ))
 ASSI {  825}
   (( segid "alk1" and resid 48   and name HN  ))
   (( segid "alk1" and resid 38   and name HG  ))
      4.800     2.800     1.200 peak   825 spectrum    1 weight  0.10000E+01 volume  0.28811E-03 ppm1      8.751 ppm2      1.410 CV     1
 OR {  825}
   (( segid "alk1" and resid 48   and name HN  ))
   (( segid "alk1" and resid 84   and name HG  ))
 ASSI {  830}
   (( segid "alk1" and resid 49   and name HN  ))
   (  segid "alk1" and resid 84   and name HD1%)
      3.600     1.600     1.600 peak   830 spectrum    1 weight  0.11000E+01 volume  0.73296E-03 ppm1      9.196 ppm2      0.680 CV     1
 OR {  830}
   (( segid "alk1" and resid 49   and name HN  ))
   (  segid "alk1" and resid 37   and name HG1%)
 ASSI {  831}
   (( segid "alk1" and resid 49   and name HN  ))
   (  segid "alk1" and resid 84   and name HD2%)
      3.700     1.700     1.700 peak   831 spectrum    1 weight  0.11000E+01 volume  0.73638E-03 ppm1      9.196 ppm2      0.582 CV     1
 OR {  831}
   (( segid "alk1" and resid 49   and name HN  ))
   (  segid "alk1" and resid 39   and name HG2%)
 ASSI {  833}
   (( segid "alk1" and resid 49   and name HN  ))
   (( segid "alk1" and resid 38   and name HB2 ))
      5.000     3.200     1.000 peak   833 spectrum    1 weight  0.11000E+01 volume  0.13481E-03 ppm1      9.192 ppm2      1.420 CV     1
 OR {  833}
   (( segid "alk1" and resid 49   and name HN  ))
   (( segid "alk1" and resid 84   and name HG  ))
 ASSI {  835}
   (( segid "alk1" and resid 49   and name HN  ))
   (( segid "alk1" and resid 37   and name HA  ))
      3.900     1.900     1.900 peak   835 spectrum    1 weight  0.11000E+01 volume  0.56360E-03 ppm1      9.199 ppm2      4.764 CV     1
 OR {  835}
   (( segid "alk1" and resid 49   and name HN  ))
   (( segid "alk1" and resid 36   and name HA  ))
 ASSI {  844}
   (( segid "alk1" and resid 50   and name HN  ))
   (( segid "alk1" and resid 21   and name HB2 ))
      6.000     6.000     0.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.66203E-05 ppm1      8.846 ppm2      3.811 CV     1
 OR {  844}
   (( segid "alk1" and resid 50   and name HN  ))
   (( segid "alk1" and resid 19   and name HB1 ))
 ASSI {  851}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 34   and name HB1 ))
      3.600     1.600     1.600 peak   851 spectrum    1 weight  0.11000E+01 volume  0.91962E-03 ppm1      8.210 ppm2      3.173 CV     1
 OR {  851}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 50   and name HD2 ))
 OR {  851}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 50   and name HD1 ))
 OR {  851}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 34   and name HB2 ))
 ASSI {  852}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 34   and name HA  ))
      3.900     1.900     1.900 peak   852 spectrum    1 weight  0.11000E+01 volume  0.50795E-03 ppm1      8.211 ppm2      5.897 CV     1
 OR {  852}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 35   and name HA  ))
 ASSI {  854}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 50   and name HN  ))
      3.400     1.400     1.400 peak   854 spectrum    1 weight  0.11000E+01 volume  0.13480E-02 ppm1      8.215 ppm2      8.847 CV     1
 OR {  854}
   (( segid "alk1" and resid 51   and name HN  ))
   (( segid "alk1" and resid 36   and name HN  ))
 ASSI {  857}
   (( segid "alk1" and resid 52   and name HN  ))
   (( segid "alk1" and resid 20   and name HN  ))
      4.100     2.100     1.900 peak   857 spectrum    1 weight  0.10000E+01 volume  0.16173E-03 ppm1      8.325 ppm2      9.095 CV     1
 OR {  857}
   (( segid "alk1" and resid 52   and name HN  ))
   (( segid "alk1" and resid 15   and name HN  ))
 ASSI {  860}
   (( segid "alk1" and resid 52   and name HN  ))
   (( segid "alk1" and resid 23   and name HA  ))
      3.700     3.700     2.300 peak   860 spectrum    1 weight  0.10000E+01 volume  0.30614E-03 ppm1      8.327 ppm2      4.650 CV     1
 OR {  860}
   (( segid "alk1" and resid 52   and name HN  ))
   (( segid "alk1" and resid 33   and name HA  ))
 ASSI {  870}
   (( segid "alk1" and resid 53   and name HN  ))
   (( segid "alk1" and resid 31   and name HA1 ))
      5.000     3.100     1.000 peak   870 spectrum    1 weight  0.11000E+01 volume  0.15031E-03 ppm1      8.689 ppm2      4.429 CV     1
 OR {  870}
   (( segid "alk1" and resid 53   and name HN  ))
   (( segid "alk1" and resid 32   and name HA  ))
 ASSI {  880}
   (( segid "alk1" and resid 67   and name HN  ))
   (( segid "alk1" and resid 65   and name HA  ))
      4.400     2.500     1.600 peak   880 spectrum    1 weight  0.11000E+01 volume  0.27599E-03 ppm1      8.133 ppm2      4.400 CV     1
 OR {  880}
   (( segid "alk1" and resid 67   and name HN  ))
   (( segid "alk1" and resid 68   and name HA  ))
 ASSI {  901}
   (( segid "alk1" and resid 72   and name HN  ))
   (( segid "alk1" and resid 73   and name HN  ))
      4.100     2.200     1.900 peak   901 spectrum    1 weight  0.11000E+01 volume  0.47738E-03 ppm1      7.908 ppm2      8.845 CV     1
 OR {  901}
   (( segid "alk1" and resid 72   and name HN  ))
   (( segid "alk1" and resid 36   and name HN  ))
 ASSI {  919}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 49   and name HA  ))
      4.100     2.100     1.900 peak   919 spectrum    1 weight  0.11000E+01 volume  0.53869E-03 ppm1      9.108 ppm2      5.392 CV     1
 OR {  919}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 28   and name HA  ))
 ASSI {  921}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 21   and name HB1 ))
      4.400     2.400     1.600 peak   921 spectrum    1 weight  0.11000E+01 volume  0.43504E-03 ppm1      9.107 ppm2      3.990 CV     1
 OR {  921}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 18   and name HA  ))
 ASSI {  922}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 22   and name HD2 ))
      3.900     1.900     1.900 peak   922 spectrum    1 weight  0.11000E+01 volume  0.78322E-03 ppm1      9.106 ppm2      3.173 CV     1
 OR {  922}
   (( segid "alk1" and resid 20   and name HN  ))
   (( segid "alk1" and resid 49   and name HB1 ))
 ASSI {  923}
   (( segid "alk1" and resid 15   and name HN  ))
   (( segid "alk1" and resid 15   and name HA  ))
      2.500     0.800     0.800 peak   923 spectrum    1 weight  0.11000E+01 volume  0.46236E-02 ppm1      9.110 ppm2      4.448 CV     1
 OR {  923}
   (( segid "alk1" and resid 15   and name HN  ))
   (( segid "alk1" and resid 32   and name HA  ))
 OR {  923}
   (( segid "alk1" and resid 15   and name HN  ))
   (( segid "alk1" and resid 31   and name HA1 ))
 ASSI {  968}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 30   and name HB1 ))
      3.000     3.000     3.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.55824E-03 ppm1      7.732 ppm2      1.608 CV     1
 OR {  968}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 30   and name HG2 ))
 OR {  968}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 30   and name HG1 ))
 OR {  968}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 19   and name HB2 ))
 OR {  968}
   (( segid "alk1" and resid 32   and name HN  ))
   (( segid "alk1" and resid 77   and name HB1 ))
 ASSI {  978}
   (( segid "alk1" and resid 36   and name HN  ))
   (  segid "alk1" and resid 37   and name HG2%)
      4.300     2.300     1.700 peak   978 spectrum    1 weight  0.11000E+01 volume  0.50282E-03 ppm1      8.841 ppm2      0.785 CV     1
 OR {  978}
   (( segid "alk1" and resid 36   and name HN  ))
   (  segid "alk1" and resid 82   and name HG1%)
 ASSI {  992}
   (( segid "alk1" and resid 44   and name HN  ))
   (  segid "alk1" and resid 39   and name HG1%)
      3.600     3.600     2.400 peak   992 spectrum    1 weight  0.10000E+01 volume  0.35401E-03 ppm1      7.894 ppm2      0.793 CV     1
 OR {  992}
   (( segid "alk1" and resid 44   and name HN  ))
   (  segid "alk1" and resid 38   and name HD1%)
 ASSI { 1019}
   (( segid "alk1" and resid 53   and name HN  ))
   (  segid "alk1" and resid 15   and name HG1%)
      4.300     2.400     1.700 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.18606E-03 ppm1      8.684 ppm2      0.784 CV     1
 OR { 1019}
   (( segid "alk1" and resid 53   and name HN  ))
   (  segid "alk1" and resid 59   and name HD1%)
 OR { 1019}
   (( segid "alk1" and resid 53   and name HN  ))
   (  segid "alk1" and resid 55   and name HD2%)
 ASSI { 1020}
   (( segid "alk1" and resid 54   and name HN  ))
   (  segid "alk1" and resid 35   and name HG2%)
      6.000     5.300     0.000 peak  1020 spectrum    1 weight  0.11000E+01 volume  0.44580E-04 ppm1      8.104 ppm2      1.229 CV     1
 OR { 1020}
   (( segid "alk1" and resid 54   and name HN  ))
   (( segid "alk1" and resid 55   and name HB2 ))
 ASSI { 1029}
   (( segid "alk1" and resid 58   and name HN  ))
   (( segid "alk1" and resid 57   and name HG2 ))
      4.600     2.600     1.400 peak  1029 spectrum    1 weight  0.11000E+01 volume  0.41972E-03 ppm1      9.761 ppm2      0.756 CV     1
 OR { 1029}
   (( segid "alk1" and resid 58   and name HN  ))
   (  segid "alk1" and resid 59   and name HD2%)
 OR { 1029}
   (( segid "alk1" and resid 58   and name HN  ))
   (  segid "alk1" and resid 59   and name HD1%)
 ASSI { 1035}
   (( segid "alk1" and resid 58   and name HN  ))
   (( segid "alk1" and resid 60   and name HN  ))
      5.200     3.400     0.800 peak  1035 spectrum    1 weight  0.11000E+01 volume  0.99720E-04 ppm1      9.765 ppm2      7.636 CV     1
 OR { 1035}
   (( segid "alk1" and resid 58   and name HN  ))
   (( segid "alk1" and resid 61   and name HN  ))
 ASSI { 1037}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 57   and name HN  ))
      4.600     2.700     1.400 peak  1037 spectrum    1 weight  0.11000E+01 volume  0.19596E-03 ppm1      7.348 ppm2      8.876 CV     1
 OR { 1037}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 56   and name HN  ))
 ASSI { 1041}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 60   and name HN  ))
      2.800     1.000     1.000 peak  1041 spectrum    1 weight  0.11000E+01 volume  0.24535E-02 ppm1      7.342 ppm2      7.630 CV     1
 OR { 1041}
   (( segid "alk1" and resid 59   and name HN  ))
   (( segid "alk1" and resid 61   and name HN  ))
 ASSI { 1055}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 58   and name HB2 ))
      3.900     1.900     1.900 peak  1055 spectrum    1 weight  0.11000E+01 volume  0.52019E-03 ppm1      7.635 ppm2      1.969 CV     1
 OR { 1055}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 57   and name HD1 ))
 ASSI { 1059}
   (( segid "alk1" and resid 60   and name HN  ))
   (  segid "alk1" and resid 59   and name HD2%)
      2.600     2.600     3.400 peak  1059 spectrum    1 weight  0.11000E+01 volume  0.99535E-03 ppm1      7.637 ppm2      0.756 CV     1
 OR { 1059}
   (( segid "alk1" and resid 60   and name HN  ))
   (  segid "alk1" and resid 59   and name HD1%)
 OR { 1059}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 57   and name HG2 ))
 ASSI { 1064}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 57   and name HN  ))
      6.000     6.000     0.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.39541E-05 ppm1      7.637 ppm2      8.870 CV     1
 OR { 1064}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 36   and name HN  ))
 OR { 1064}
   (( segid "alk1" and resid 60   and name HN  ))
   (( segid "alk1" and resid 73   and name HN  ))
 ASSI { 1075}
   (( segid "alk1" and resid 62   and name HN  ))
   (( segid "alk1" and resid 61   and name HN  ))
      3.200     1.300     1.300 peak  1075 spectrum    1 weight  0.11000E+01 volume  0.13496E-02 ppm1      8.139 ppm2      7.632 CV     1
 OR { 1075}
   (( segid "alk1" and resid 62   and name HN  ))
   (( segid "alk1" and resid 60   and name HN  ))
 ASSI { 1081}
   (( segid "alk1" and resid 63   and name HN  ))
   (( segid "alk1" and resid 61   and name HA  ))
      3.200     3.200     2.800 peak  1081 spectrum    1 weight  0.11000E+01 volume  0.98228E-03 ppm1      8.221 ppm2      4.507 CV     1
 OR { 1081}
   (( segid "alk1" and resid 63   and name HN  ))
   (( segid "alk1" and resid 64   and name HA  ))
 OR { 1081}
   (( segid "alk1" and resid 63   and name HN  ))
   (( segid "alk1" and resid 65   and name HB  ))
 ASSI { 1100}
   (( segid "alk1" and resid 80   and name HN  ))
   (  segid "alk1" and resid 82   and name HG1%)
      3.500     1.600     1.600 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.98798E-03 ppm1      7.787 ppm2      0.772 CV     1
 OR { 1100}
   (( segid "alk1" and resid 68   and name HN  ))
   (  segid "alk1" and resid 38   and name HD2%)
 ASSI { 1130}
   (( segid "alk1" and resid 86   and name HN  ))
   (( segid "alk1" and resid 38   and name HN  ))
      2.700     2.700     3.300 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.83498E-03 ppm1      8.065 ppm2      8.449 CV     1
 OR { 1130}
   (( segid "alk1" and resid 86   and name HN  ))
   (( segid "alk1" and resid 69   and name HN  ))
 ASSI { 1132}
   (( segid "alk1" and resid 85   and name HN  ))
   (( segid "alk1" and resid 86   and name HN  ))
      3.100     1.200     1.200 peak  1132 spectrum    1 weight  0.11000E+01 volume  0.13881E-02 ppm1      7.823 ppm2      8.056 CV     1
 OR { 1132}
   (( segid "alk1" and resid 85   and name HN  ))
   (( segid "alk1" and resid 87   and name HN  ))
 ASSI { 1135}
   (( segid "alk1" and resid 85   and name HN  ))
   (( segid "alk1" and resid 48   and name HG2 ))
      3.600     1.600     1.600 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.18731E-03 ppm1      7.823 ppm2      2.040 CV     1
 OR { 1135}
   (( segid "alk1" and resid 85   and name HN  ))
   (( segid "alk1" and resid 48   and name HG1 ))
 OR { 1135}
   (( segid "alk1" and resid 85   and name HN  ))
   (( segid "alk1" and resid 90   and name HB1 ))
 ASSI { 1138}
   (( segid "alk1" and resid 84   and name HN  ))
   (( segid "alk1" and resid 93   and name HN  ))
      3.400     3.400     2.600 peak  1138 spectrum    1 weight  0.11000E+01 volume  0.19769E-03 ppm1      9.621 ppm2      8.364 CV     1
 OR { 1138}
   (( segid "alk1" and resid 84   and name HN  ))
   (( segid "alk1" and resid 94   and name HN  ))
 ASSI { 1139}
   (( segid "alk1" and resid 84   and name HN  ))
   (( segid "alk1" and resid 86   and name HN  ))
      5.800     4.100     0.200 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.67074E-04 ppm1      9.623 ppm2      8.073 CV     1
 OR { 1139}
   (( segid "alk1" and resid 84   and name HN  ))
   (( segid "alk1" and resid 87   and name HN  ))
 ASSI { 1213}
   (( segid "alk1" and resid 33   and name HE1 ))
   (( segid "alk1" and resid 35   and name HA  ))
      6.000     4.700     0.000 peak  1213 spectrum    1 weight  0.11000E+01 volume  0.96059E-04 ppm1      9.884 ppm2      5.915 CV     1
 OR { 1213}
   (( segid "alk1" and resid 33   and name HE1 ))
   (( segid "alk1" and resid 34   and name HA  ))
 ASSI { 1215}
   (( segid "alk1" and resid 33   and name HE1 ))
   (( segid "alk1" and resid 55   and name HA  ))
      5.900     4.300     0.100 peak  1215 spectrum    1 weight  0.11000E+01 volume  0.52297E-04 ppm1      9.872 ppm2      4.673 CV     1
 OR { 1215}
   (( segid "alk1" and resid 33   and name HE1 ))
   (( segid "alk1" and resid 33   and name HA  ))
 ASSI { 1216}
   (( segid "alk1" and resid 33   and name HE1 ))
   (( segid "alk1" and resid 57   and name HA  ))
      3.900     1.900     1.900 peak  1216 spectrum    1 weight  0.11000E+01 volume  0.46903E-03 ppm1      9.886 ppm2      3.322 CV     1
 OR { 1216}
   (( segid "alk1" and resid 33   and name HE1 ))
   (( segid "alk1" and resid 33   and name HB2 ))
 ASSI {   11}
   (( segid "alk1" and resid 83   and name HB1 ))
   (( segid "alk1" and resid 93   and name HN  ))
      3.800     1.800     1.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.51436E-03 ppm1      3.647 ppm2      8.367 CV     1
 OR {   11}
   (( segid "alk1" and resid 83   and name HB1 ))
   (( segid "alk1" and resid 94   and name HN  ))
 ASSI {   12}
   (( segid "alk1" and resid 83   and name HB2 ))
   (( segid "alk1" and resid 93   and name HN  ))
      3.400     1.400     1.400 peak    12 spectrum    1 weight  0.10000E+01 volume  0.12871E-02 ppm1      3.576 ppm2      8.367 CV     1
 OR {   12}
   (( segid "alk1" and resid 83   and name HB2 ))
   (( segid "alk1" and resid 94   and name HN  ))
 ASSI {   19}
   (( segid "alk1" and resid 9    and name HA  ))
   (( segid "alk1" and resid 10   and name HN  ))
      2.400     0.700     0.700 peak    19 spectrum    1 weight  0.10000E+01 volume  0.72425E-02 ppm1      4.428 ppm2      8.292 CV     1
 OR {   19}
   (( segid "alk1" and resid 9    and name HA  ))
   (( segid "alk1" and resid 11   and name HN  ))
 ASSI {   21}
   (( segid "alk1" and resid 85   and name HA  ))
   (( segid "alk1" and resid 86   and name HN  ))
      2.700     0.900     0.900 peak    21 spectrum    1 weight  0.10000E+01 volume  0.28474E-02 ppm1      3.939 ppm2      8.064 CV     1
 OR {   21}
   (( segid "alk1" and resid 85   and name HA  ))
   (( segid "alk1" and resid 87   and name HN  ))
 ASSI {   96}
   (( segid "alk1" and resid 6    and name HA  ))
   (( segid "alk1" and resid 6    and name HB1 ))
      1.900     0.500     0.500 peak    96 spectrum    1 weight  0.10000E+01 volume  0.17350E-01 ppm1      4.421 ppm2      2.269 CV     1
 OR {   96}
   (( segid "alk1" and resid 92   and name HA  ))
   (( segid "alk1" and resid 92   and name HB2 ))
 OR {   96}
   (( segid "alk1" and resid 13   and name HA  ))
   (( segid "alk1" and resid 13   and name HB1 ))
 OR {   96}
   (( segid "alk1" and resid 9    and name HA  ))
   (( segid "alk1" and resid 9    and name HB1 ))
 ASSI {   97}
   (( segid "alk1" and resid 13   and name HA  ))
   (( segid "alk1" and resid 13   and name HB2 ))
      2.300     0.700     0.700 peak    97 spectrum    1 weight  0.10000E+01 volume  0.15829E-01 ppm1      4.420 ppm2      1.989 CV     1
 OR {   97}
   (( segid "alk1" and resid 92   and name HA  ))
   (( segid "alk1" and resid 92   and name HG1 ))
 OR {   97}
   (( segid "alk1" and resid 6    and name HA  ))
   (( segid "alk1" and resid 6    and name HG2 ))
 OR {   97}
   (( segid "alk1" and resid 6    and name HA  ))
   (( segid "alk1" and resid 6    and name HG1 ))
 OR {   97}
   (( segid "alk1" and resid 92   and name HA  ))
   (( segid "alk1" and resid 92   and name HG2 ))
 ASSI {  156}
   (( segid "alk1" and resid 92   and name HD1 ))
   (( segid "alk1" and resid 92   and name HG1 ))
      1.700     0.400     0.500 peak   156 spectrum    1 weight  0.10000E+01 volume  0.38841E-01 ppm1      3.816 ppm2      1.994 CV     1
 OR {  156}
   (( segid "alk1" and resid 6    and name HD2 ))
   (( segid "alk1" and resid 6    and name HG1 ))
 OR {  156}
   (( segid "alk1" and resid 92   and name HD1 ))
   (( segid "alk1" and resid 92   and name HG2 ))
 OR {  156}
   (( segid "alk1" and resid 6    and name HD2 ))
   (( segid "alk1" and resid 6    and name HG2 ))
 ASSI {  157}
   (( segid "alk1" and resid 6    and name HD1 ))
   (( segid "alk1" and resid 6    and name HG2 ))
      2.300     0.700     0.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.72562E-02 ppm1      3.716 ppm2      1.995 CV     1
 OR {  157}
   (( segid "alk1" and resid 6    and name HD1 ))
   (( segid "alk1" and resid 6    and name HG1 ))
 OR {  157}
   (( segid "alk1" and resid 64   and name HD1 ))
   (( segid "alk1" and resid 64   and name HB2 ))
 ASSI {  161}
   (( segid "alk1" and resid 46   and name HD2 ))
   (( segid "alk1" and resid 41   and name HB1 ))
      2.200     2.200     3.800 peak   161 spectrum    1 weight  0.10000E+01 volume  0.31899E-02 ppm1      3.444 ppm2      1.946 CV     1
 OR {  161}
   (( segid "alk1" and resid 46   and name HD2 ))
   (( segid "alk1" and resid 42   and name HB1 ))
 ASSI {  220}
   (( segid "alk1" and resid 18   and name HB  ))
   (( segid "alk1" and resid 51   and name HA2 ))
      4.800     2.900     1.200 peak   220 spectrum    1 weight  0.10000E+01 volume  0.10123E-03 ppm1      3.481 ppm2      3.866 CV     1
 OR {  220}
   (( segid "alk1" and resid 18   and name HB  ))
   (( segid "alk1" and resid 78   and name HB1 ))
 ASSI {  311}
   (( segid "alk1" and resid 31   and name HA2 ))
   (  segid "alk1" and resid 14   and name HD1%)
      3.700     1.700     1.700 peak   311 spectrum    1 weight  0.10000E+01 volume  0.54406E-03 ppm1      3.328 ppm2      0.764 CV     1
 OR {  311}
   (( segid "alk1" and resid 31   and name HA2 ))
   (  segid "alk1" and resid 15   and name HG2%)
 OR {  311}
   (( segid "alk1" and resid 31   and name HA2 ))
   (  segid "alk1" and resid 15   and name HG1%)
 ASSI {  337}
   (( segid "alk1" and resid 34   and name HA  ))
   (( segid "alk1" and resid 79   and name HB2 ))
      4.200     2.200     1.800 peak   337 spectrum    1 weight  0.10000E+01 volume  0.68023E-03 ppm1      5.892 ppm2      2.436 CV     1
 OR {  337}
   (( segid "alk1" and resid 34   and name HA  ))
   (( segid "alk1" and resid 52   and name HB2 ))
 ASSI {  354}
   (( segid "alk1" and resid 35   and name HA  ))
   (( segid "alk1" and resid 71   and name HB2 ))
      4.700     2.800     1.300 peak   354 spectrum    1 weight  0.10000E+01 volume  0.42149E-03 ppm1      5.923 ppm2      2.847 CV     1
 OR {  354}
   (( segid "alk1" and resid 35   and name HA  ))
   (( segid "alk1" and resid 60   and name HB2 ))
 ASSI {  358}
   (( segid "alk1" and resid 35   and name HA  ))
   (  segid "alk1" and resid 37   and name HG1%)
      4.300     2.400     1.700 peak   358 spectrum    1 weight  0.10000E+01 volume  0.61831E-03 ppm1      5.919 ppm2      0.663 CV     1
 OR {  358}
   (( segid "alk1" and resid 35   and name HA  ))
   (  segid "alk1" and resid 84   and name HD1%)
 ASSI {  366}
   (( segid "alk1" and resid 35   and name HB  ))
   (( segid "alk1" and resid 71   and name HN  ))
      3.800     1.800     1.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.53916E-03 ppm1      4.018 ppm2      9.058 CV     1
 OR {  366}
   (( segid "alk1" and resid 35   and name HB  ))
   (( segid "alk1" and resid 37   and name HN  ))
 ASSI {  390}
   (( segid "alk1" and resid 48   and name HA  ))
   (  segid "alk1" and resid 84   and name HD2%)
      4.200     2.200     1.800 peak   390 spectrum    1 weight  0.10000E+01 volume  0.33231E-03 ppm1      5.083 ppm2      0.579 CV     1
 OR {  390}
   (( segid "alk1" and resid 48   and name HA  ))
   (  segid "alk1" and resid 39   and name HG2%)
 ASSI {  491}
   (( segid "alk1" and resid 58   and name HA  ))
   (( segid "alk1" and resid 61   and name HG2 ))
      3.400     1.500     1.500 peak   491 spectrum    1 weight  0.11000E+01 volume  0.12453E-02 ppm1      4.030 ppm2      1.582 CV     1
 OR {  491}
   (( segid "alk1" and resid 58   and name HA  ))
   (( segid "alk1" and resid 61   and name HG1 ))
 OR {  491}
   (( segid "alk1" and resid 58   and name HA  ))
   (( segid "alk1" and resid 59   and name HG  ))
 ASSI {  498}
   (( segid "alk1" and resid 60   and name HA  ))
   (( segid "alk1" and resid 70   and name HB1 ))
      4.600     2.600     1.400 peak   498 spectrum    1 weight  0.11000E+01 volume  0.20389E-03 ppm1      4.262 ppm2      3.330 CV     1
 OR {  498}
   (( segid "alk1" and resid 60   and name HA  ))
   (( segid "alk1" and resid 57   and name HA  ))
 ASSI {  613}
   (( segid "alk1" and resid 83   and name HB2 ))
   (( segid "alk1" and resid 92   and name HA  ))
      4.500     2.500     1.500 peak   613 spectrum    1 weight  0.10000E+01 volume  0.24432E-03 ppm1      3.563 ppm2      4.425 CV     1
 OR {  613}
   (( segid "alk1" and resid 83   and name HB2 ))
   (( segid "alk1" and resid 93   and name HA  ))
 ASSI {  617}
   (( segid "alk1" and resid 84   and name HA  ))
   (  segid "alk1" and resid 85   and name HG2%)
      4.100     2.100     1.900 peak   617 spectrum    1 weight  0.10000E+01 volume  0.44090E-03 ppm1      4.363 ppm2      0.763 CV     1
 OR {  617}
   (( segid "alk1" and resid 84   and name HA  ))
   (  segid "alk1" and resid 38   and name HD2%)
 OR {  617}
   (( segid "alk1" and resid 84   and name HA  ))
   (  segid "alk1" and resid 86   and name HD2%)
 ASSI {  632}
   (( segid "alk1" and resid 93   and name HB2 ))
   (( segid "alk1" and resid 93   and name HN  ))
      2.900     1.100     1.100 peak   632 spectrum    1 weight  0.11000E+01 volume  0.24388E-02 ppm1      3.846 ppm2      8.352 CV     1
 OR {  632}
   (( segid "alk1" and resid 93   and name HB1 ))
   (( segid "alk1" and resid 93   and name HN  ))
 OR {  632}
   (( segid "alk1" and resid 93   and name HB1 ))
   (( segid "alk1" and resid 94   and name HN  ))
 OR {  632}
   (( segid "alk1" and resid 93   and name HB2 ))
   (( segid "alk1" and resid 94   and name HN  ))
 ASSI {  653}
   (( segid "alk1" and resid 14   and name HB2 ))
   (( segid "alk1" and resid 31   and name HN  ))
      4.700     2.800     1.300 peak   653 spectrum    1 weight  0.10000E+01 volume  0.41241E-03 ppm1      1.224 ppm2      8.867 CV     1
 OR {  653}
   (( segid "alk1" and resid 14   and name HB2 ))
   (( segid "alk1" and resid 16   and name HN  ))
 ASSI {  669}
   (( segid "alk1" and resid 22   and name HD1 ))
   (( segid "alk1" and resid 22   and name HA  ))
      3.600     1.700     1.700 peak   669 spectrum    1 weight  0.11000E+01 volume  0.10838E-02 ppm1      3.338 ppm2      4.382 CV     1
 OR {  669}
   (( segid "alk1" and resid 22   and name HD1 ))
   (( segid "alk1" and resid 25   and name HA  ))
 OR {  669}
   (( segid "alk1" and resid 22   and name HD1 ))
   (( segid "alk1" and resid 24   and name HA  ))
 ASSI {  686}
   (( segid "alk1" and resid 22   and name HD2 ))
   (( segid "alk1" and resid 21   and name HN  ))
      4.600     2.600     1.400 peak   686 spectrum    1 weight  0.11000E+01 volume  0.23718E-03 ppm1      3.179 ppm2      7.769 CV     1
 OR {  686}
   (( segid "alk1" and resid 22   and name HD2 ))
   (( segid "alk1" and resid 26   and name HN  ))
 ASSI {  724}
   (( segid "alk1" and resid 30   and name HD1 ))
   (( segid "alk1" and resid 31   and name HN  ))
      3.500     1.500     1.500 peak   724 spectrum    1 weight  0.11000E+01 volume  0.19153E-03 ppm1      3.059 ppm2      8.872 CV     1
 OR {  724}
   (( segid "alk1" and resid 30   and name HD2 ))
   (( segid "alk1" and resid 31   and name HN  ))
 OR {  724}
   (( segid "alk1" and resid 30   and name HD1 ))
   (( segid "alk1" and resid 16   and name HN  ))
 OR {  724}
   (( segid "alk1" and resid 30   and name HD2 ))
   (( segid "alk1" and resid 16   and name HN  ))
 ASSI {  729}
   (( segid "alk1" and resid 56   and name HA  ))
   (( segid "alk1" and resid 57   and name HN  ))
      2.800     1.000     1.000 peak   729 spectrum    1 weight  0.11000E+01 volume  0.21880E-02 ppm1      4.989 ppm2      8.881 CV     1
 OR {  729}
   (( segid "alk1" and resid 56   and name HA  ))
   (( segid "alk1" and resid 56   and name HN  ))
 ASSI {  732}
   (( segid "alk1" and resid 56   and name HA  ))
   (( segid "alk1" and resid 55   and name HB2 ))
      4.900     3.000     1.100 peak   732 spectrum    1 weight  0.11000E+01 volume  0.10213E-03 ppm1      4.980 ppm2      1.211 CV     1
 OR {  732}
   (( segid "alk1" and resid 56   and name HA  ))
   (( segid "alk1" and resid 57   and name HG1 ))
 ASSI {  738}
   (( segid "alk1" and resid 61   and name HA  ))
   (( segid "alk1" and resid 61   and name HN  ))
      5.100     3.300     0.900 peak   738 spectrum    1 weight  0.11000E+01 volume  0.70876E-04 ppm1      4.496 ppm2      7.617 CV     1
 OR {  738}
   (( segid "alk1" and resid 61   and name HA  ))
   (( segid "alk1" and resid 60   and name HN  ))
 ASSI {   55}
   (( segid "alk1" and resid 92   and name HG1 ))
   (( segid "alk1" and resid 92   and name HA  ))
      3.400     1.500     1.500 peak    55 spectrum    1 weight  0.10000E+01 volume  0.24808E-02 ppm1      2.016 ppm2      4.427 CV     1
 OR {   55}
   (( segid "alk1" and resid 6    and name HG2 ))
   (( segid "alk1" and resid 6    and name HA  ))
 OR {   55}
   (( segid "alk1" and resid 96   and name HG1 ))
   (( segid "alk1" and resid 96   and name HA  ))
 OR {   55}
   (( segid "alk1" and resid 6    and name HG1 ))
   (( segid "alk1" and resid 6    and name HA  ))
 OR {   55}
   (( segid "alk1" and resid 96   and name HG2 ))
   (( segid "alk1" and resid 96   and name HA  ))
 OR {   55}
   (( segid "alk1" and resid 92   and name HG2 ))
   (( segid "alk1" and resid 92   and name HA  ))
 OR {   55}
   (( segid "alk1" and resid 96   and name HG1 ))
   (( segid "alk1" and resid 95   and name HA  ))
 OR {   55}
   (( segid "alk1" and resid 96   and name HG2 ))
   (( segid "alk1" and resid 95   and name HA  ))
 ASSI {  172}
   (  segid "alk1" and resid 16   and name HG2%)
   (( segid "alk1" and resid 51   and name HA2 ))
      3.800     1.800     1.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.90316E-03 ppm1      1.152 ppm2      3.850 CV     1
 OR {  172}
   (  segid "alk1" and resid 16   and name HG2%)
   (( segid "alk1" and resid 78   and name HB1 ))
 OR {  172}
   (  segid "alk1" and resid 16   and name HG2%)
   (( segid "alk1" and resid 75   and name HB1 ))
 ASSI {  176}
   (  segid "alk1" and resid 15   and name HG2%)
   (( segid "alk1" and resid 14   and name HA  ))
      3.500     1.500     1.500 peak   176 spectrum    1 weight  0.10000E+01 volume  0.16381E-02 ppm1      0.783 ppm2      4.535 CV     1
 OR {  176}
   (  segid "alk1" and resid 15   and name HG2%)
   (( segid "alk1" and resid 76   and name HA  ))
 ASSI {  179}
   (  segid "alk1" and resid 15   and name HG2%)
   (( segid "alk1" and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   179 spectrum    1 weight  0.10000E+01 volume  0.16944E-02 ppm1      0.780 ppm2      4.897 CV     1
 OR {  179}
   (  segid "alk1" and resid 15   and name HG2%)
   (( segid "alk1" and resid 16   and name HA  ))
 ASSI {  193}
   (  segid "alk1" and resid 98   and name HG2%)
   (( segid "alk1" and resid 98   and name HB  ))
      2.300     0.600     0.600 peak   193 spectrum    1 weight  0.10000E+01 volume  0.90236E-02 ppm1      1.151 ppm2      4.246 CV     1
 OR {  193}
   (  segid "alk1" and resid 16   and name HG2%)
   (( segid "alk1" and resid 28   and name HB  ))
 ASSI {  206}
   (  segid "alk1" and resid 82   and name HG1%)
   (( segid "alk1" and resid 94   and name HN  ))
      3.500     1.600     1.600 peak   206 spectrum    1 weight  0.10000E+01 volume  0.10046E-02 ppm1      0.803 ppm2      8.359 CV     1
 OR {  206}
   (  segid "alk1" and resid 82   and name HG1%)
   (( segid "alk1" and resid 93   and name HN  ))
 ASSI {  253}
   (  segid "alk1" and resid 85   and name HG1%)
   (( segid "alk1" and resid 69   and name HD21))
      4.400     2.400     1.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.32461E-03 ppm1      0.801 ppm2      6.913 CV     1
 OR {  253}
   (  segid "alk1" and resid 82   and name HG1%)
   (( segid "alk1" and resid 69   and name HD21))
 ASSI {  282}
   (  segid "alk1" and resid 85   and name HG1%)
   (( segid "alk1" and resid 69   and name HD22))
      5.200     3.300     0.800 peak   282 spectrum    1 weight  0.10000E+01 volume  0.12673E-03 ppm1      0.789 ppm2      7.555 CV     1
 OR {  282}
   (  segid "alk1" and resid 37   and name HG2%)
   (( segid "alk1" and resid 69   and name HD22))
 OR {  282}
   (  segid "alk1" and resid 82   and name HG1%)
   (( segid "alk1" and resid 69   and name HD22))
 ASSI {  335}
   (  segid "alk1" and resid 15   and name HG1%)
   (( segid "alk1" and resid 75   and name HA  ))
      4.800     2.800     1.200 peak   335 spectrum    1 weight  0.10000E+01 volume  0.12793E-03 ppm1      0.787 ppm2      4.892 CV     1
 OR {  335}
   (  segid "alk1" and resid 15   and name HG1%)
   (( segid "alk1" and resid 16   and name HA  ))
 OR {  335}
   (  segid "alk1" and resid 15   and name HG1%)
   (( segid "alk1" and resid 17   and name HA  ))
 ASSI {  401}
   (( segid "alk1" and resid 15   and name HB  ))
   (( segid "alk1" and resid 16   and name HA  ))
      4.900     3.000     1.100 peak   401 spectrum    1 weight  0.11000E+01 volume  0.14894E-03 ppm1      1.839 ppm2      4.886 CV     1
 OR {  401}
   (( segid "alk1" and resid 15   and name HB  ))
   (( segid "alk1" and resid 75   and name HA  ))
 ASSI {  420}
   (( segid "alk1" and resid 15   and name HB  ))
   (( segid "alk1" and resid 14   and name HA  ))
      4.200     2.200     1.800 peak   420 spectrum    1 weight  0.11000E+01 volume  0.91661E-03 ppm1      1.839 ppm2      4.532 CV     1
 OR {  420}
   (( segid "alk1" and resid 15   and name HB  ))
   (( segid "alk1" and resid 76   and name HA  ))
 ASSI {  438}
   (( segid "alk1" and resid 19   and name HB1 ))
   (( segid "alk1" and resid 26   and name HN  ))
      4.800     2.900     1.200 peak   438 spectrum    1 weight  0.10000E+01 volume  0.79716E-04 ppm1      3.784 ppm2      7.771 CV     1
 OR {  438}
   (( segid "alk1" and resid 19   and name HB1 ))
   (( segid "alk1" and resid 21   and name HN  ))
 ASSI {  464}
   (( segid "alk1" and resid 22   and name HG2 ))
   (( segid "alk1" and resid 19   and name HB1 ))
      4.700     2.800     1.300 peak   464 spectrum    1 weight  0.10000E+01 volume  0.12816E-03 ppm1      1.886 ppm2      3.810 CV     1
 OR {  464}
   (( segid "alk1" and resid 22   and name HG2 ))
   (( segid "alk1" and resid 21   and name HB2 ))
 ASSI {  517}
   (( segid "alk1" and resid 33   and name HB1 ))
   (( segid "alk1" and resid 74   and name HB1 ))
      6.000     4.500     0.000 peak   517 spectrum    1 weight  0.11000E+01 volume  0.66454E-04 ppm1      3.519 ppm2      2.898 CV     1
 OR {  517}
   (( segid "alk1" and resid 33   and name HB1 ))
   (( segid "alk1" and resid 72   and name HB1 ))
 ASSI {  577}
   (  segid "alk1" and resid 37   and name HG1%)
   (( segid "alk1" and resid 36   and name HN  ))
      4.000     2.000     2.000 peak   577 spectrum    1 weight  0.11000E+01 volume  0.68948E-03 ppm1      0.663 ppm2      8.850 CV     1
 OR {  577}
   (  segid "alk1" and resid 37   and name HG1%)
   (( segid "alk1" and resid 39   and name HN  ))
 ASSI {  585}
   (( segid "alk1" and resid 38   and name HG  ))
   (( segid "alk1" and resid 85   and name HB  ))
      3.900     1.900     1.900 peak   585 spectrum    1 weight  0.10000E+01 volume  0.73896E-03 ppm1      1.387 ppm2      1.930 CV     1
 OR {  585}
   (( segid "alk1" and resid 38   and name HG  ))
   (( segid "alk1" and resid 41   and name HB1 ))
 OR {  585}
   (( segid "alk1" and resid 38   and name HG  ))
   (( segid "alk1" and resid 87   and name HB2 ))
 OR {  585}
   (( segid "alk1" and resid 38   and name HG  ))
   (( segid "alk1" and resid 36   and name HB  ))
 ASSI {  646}
   (( segid "alk1" and resid 49   and name HB2 ))
   (( segid "alk1" and resid 20   and name HB1 ))
      6.000     4.900     0.000 peak   646 spectrum    1 weight  0.11000E+01 volume  0.57906E-04 ppm1      3.027 ppm2      2.032 CV     1
 OR {  646}
   (( segid "alk1" and resid 49   and name HB2 ))
   (( segid "alk1" and resid 48   and name HG2 ))
 ASSI {  653}
   (( segid "alk1" and resid 54   and name HB2 ))
   (  segid "alk1" and resid 32   and name HB% )
      4.100     2.100     1.900 peak   653 spectrum    1 weight  0.11000E+01 volume  0.85888E-03 ppm1      2.343 ppm2      1.500 CV     1
 OR {  653}
   (( segid "alk1" and resid 54   and name HB2 ))
   (( segid "alk1" and resid 55   and name HB1 ))
 ASSI {  659}
   (( segid "alk1" and resid 56   and name HB1 ))
   (( segid "alk1" and resid 56   and name HN  ))
      4.500     2.600     1.500 peak   659 spectrum    1 weight  0.11000E+01 volume  0.42840E-03 ppm1      3.482 ppm2      8.896 CV     1
 OR {  659}
   (( segid "alk1" and resid 56   and name HB1 ))
   (( segid "alk1" and resid 57   and name HN  ))
 ASSI {  688}
   (( segid "alk1" and resid 58   and name HG1 ))
   (( segid "alk1" and resid 58   and name HA  ))
      3.000     1.200     1.200 peak   688 spectrum    1 weight  0.11000E+01 volume  0.24401E-02 ppm1      2.077 ppm2      4.041 CV     1
 OR {  688}
   (( segid "alk1" and resid 58   and name HG1 ))
   (( segid "alk1" and resid 59   and name HA  ))
 ASSI {  692}
   (( segid "alk1" and resid 58   and name HG2 ))
   (( segid "alk1" and resid 58   and name HA  ))
      3.300     1.300     1.300 peak   692 spectrum    1 weight  0.11000E+01 volume  0.22926E-02 ppm1      2.455 ppm2      4.042 CV     1
 OR {  692}
   (( segid "alk1" and resid 58   and name HG2 ))
   (( segid "alk1" and resid 59   and name HA  ))
 ASSI {  715}
   (( segid "alk1" and resid 67   and name HB1 ))
   (( segid "alk1" and resid 44   and name HB1 ))
      4.300     2.300     1.700 peak   715 spectrum    1 weight  0.10000E+01 volume  0.49404E-04 ppm1      3.266 ppm2      1.894 CV     1
 OR {  715}
   (( segid "alk1" and resid 67   and name HB1 ))
   (( segid "alk1" and resid 101  and name HB2 ))
 OR {  715}
   (( segid "alk1" and resid 67   and name HB1 ))
   (( segid "alk1" and resid 61   and name HB2 ))
 ASSI {  721}
   (( segid "alk1" and resid 68   and name HB  ))
   (  segid "alk1" and resid 37   and name HG2%)
      4.700     2.700     1.300 peak   721 spectrum    1 weight  0.10000E+01 volume  0.20844E-03 ppm1      2.075 ppm2      0.761 CV     1
 OR {  721}
   (( segid "alk1" and resid 68   and name HB  ))
   (  segid "alk1" and resid 86   and name HD2%)
 OR {  721}
   (( segid "alk1" and resid 68   and name HB  ))
   (  segid "alk1" and resid 38   and name HD2%)
 ASSI {  736}
   (( segid "alk1" and resid 69   and name HB2 ))
   (  segid "alk1" and resid 86   and name HD2%)
      3.100     1.200     1.200 peak   736 spectrum    1 weight  0.11000E+01 volume  0.21825E-02 ppm1      2.949 ppm2      0.757 CV     1
 OR {  736}
   (( segid "alk1" and resid 69   and name HB2 ))
   (  segid "alk1" and resid 38   and name HD2%)
 ASSI {  756}
   (( segid "alk1" and resid 71   and name HB2 ))
   (  segid "alk1" and resid 36   and name HG1%)
      5.200     3.300     0.800 peak   756 spectrum    1 weight  0.10000E+01 volume  0.26686E-03 ppm1      2.850 ppm2      1.145 CV     1
 OR {  756}
   (( segid "alk1" and resid 17   and name HB2 ))
   (  segid "alk1" and resid 16   and name HG2%)
 ASSI {  784}
   (( segid "alk1" and resid 79   and name HB1 ))
   (( segid "alk1" and resid 23   and name HE1 ))
      2.500     2.500     3.500 peak   784 spectrum    1 weight  0.10000E+01 volume  0.14952E-02 ppm1      3.271 ppm2      8.062 CV     1
 OR {  784}
   (( segid "alk1" and resid 79   and name HB1 ))
   (( segid "alk1" and resid 86   and name HN  ))
 ASSI {  792}
   (( segid "alk1" and resid 79   and name HB2 ))
   (( segid "alk1" and resid 23   and name HE1 ))
      2.400     2.400     3.600 peak   792 spectrum    1 weight  0.10000E+01 volume  0.16926E-02 ppm1      2.417 ppm2      8.069 CV     1
 OR {  792}
   (( segid "alk1" and resid 79   and name HB2 ))
   (( segid "alk1" and resid 86   and name HN  ))
 ASSI {  855}
   (  segid "alk1" and resid 84   and name HD1%)
   (( segid "alk1" and resid 37   and name HA  ))
      3.800     1.800     1.800 peak   855 spectrum    1 weight  0.11000E+01 volume  0.65489E-03 ppm1      0.691 ppm2      4.780 CV     1
 OR {  855}
   (  segid "alk1" and resid 84   and name HD1%)
   (( segid "alk1" and resid 36   and name HA  ))
 ASSI {  862}
   (  segid "alk1" and resid 84   and name HD1%)
   (( segid "alk1" and resid 84   and name HG  ))
      2.500     0.800     0.800 peak   862 spectrum    1 weight  0.11000E+01 volume  0.35857E-02 ppm1      0.694 ppm2      1.418 CV     1
 OR {  862}
   (  segid "alk1" and resid 84   and name HD1%)
   (( segid "alk1" and resid 38   and name HB2 ))
 ASSI {  875}
   (( segid "alk1" and resid 85   and name HB  ))
   (( segid "alk1" and resid 92   and name HB2 ))
      2.000     2.000     4.000 peak   875 spectrum    1 weight  0.10000E+01 volume  0.53226E-02 ppm1      1.930 ppm2      2.279 CV     1
 OR {  875}
   (( segid "alk1" and resid 85   and name HB  ))
   (( segid "alk1" and resid 101  and name HG2 ))
 OR {  875}
   (( segid "alk1" and resid 85   and name HB  ))
   (( segid "alk1" and resid 101  and name HG1 ))
 ASSI {  879}
   (( segid "alk1" and resid 54   and name HB1 ))
   (  segid "alk1" and resid 32   and name HB% )
      3.700     1.700     1.700 peak   879 spectrum    1 weight  0.11000E+01 volume  0.11563E-02 ppm1      2.477 ppm2      1.496 CV     1
 OR {  879}
   (( segid "alk1" and resid 54   and name HB1 ))
   (( segid "alk1" and resid 55   and name HB1 ))
 ASSI {  887}
   (  segid "alk1" and resid 38   and name HD1%)
   (( segid "alk1" and resid 46   and name HB2 ))
      2.800     1.000     1.000 peak   887 spectrum    1 weight  0.11000E+01 volume  0.20685E-02 ppm1      0.766 ppm2      1.777 CV     1
 OR {  887}
   (  segid "alk1" and resid 38   and name HD1%)
   (( segid "alk1" and resid 48   and name HB2 ))
 ASSI {  904}
   (( segid "alk1" and resid 41   and name HB1 ))
   (  segid "alk1" and resid 39   and name HG1%)
      4.400     2.400     1.600 peak   904 spectrum    1 weight  0.10000E+01 volume  0.10204E-03 ppm1      1.935 ppm2      0.785 CV     1
 OR {  904}
   (( segid "alk1" and resid 41   and name HB1 ))
   (  segid "alk1" and resid 38   and name HD1%)
 OR {  904}
   (( segid "alk1" and resid 41   and name HB1 ))
   (  segid "alk1" and resid 38   and name HD2%)
 ASSI {  912}
   (( segid "alk1" and resid 56   and name HB2 ))
   (( segid "alk1" and resid 56   and name HN  ))
      6.000     5.600     0.000 peak   912 spectrum    1 weight  0.11000E+01 volume  0.10667E-04 ppm1      3.140 ppm2      8.888 CV     1
 OR {  912}
   (( segid "alk1" and resid 56   and name HB2 ))
   (( segid "alk1" and resid 57   and name HN  ))
 ASSI {  940}
   (( segid "alk1" and resid 61   and name HG1 ))
   (( segid "alk1" and resid 61   and name HN  ))
      5.500     3.700     0.500 peak   940 spectrum    1 weight  0.11000E+01 volume  0.54258E-04 ppm1      1.586 ppm2      7.637 CV     1
 OR {  940}
   (( segid "alk1" and resid 61   and name HG2 ))
   (( segid "alk1" and resid 61   and name HN  ))
 OR {  940}
   (( segid "alk1" and resid 61   and name HG1 ))
   (( segid "alk1" and resid 60   and name HN  ))
 OR {  940}
   (( segid "alk1" and resid 61   and name HG2 ))
   (( segid "alk1" and resid 60   and name HN  ))
 ASSI {  941}
   (( segid "alk1" and resid 30   and name HG1 ))
   (  segid "alk1" and resid 28   and name HG2%)
      4.500     2.600     1.500 peak   941 spectrum    1 weight  0.10000E+01 volume  0.37057E-04 ppm1      1.587 ppm2      0.971 CV     1
 OR {  941}
   (( segid "alk1" and resid 30   and name HG2 ))
   (  segid "alk1" and resid 28   and name HG2%)
 OR {  941}
   (( segid "alk1" and resid 61   and name HG1 ))
   (  segid "alk1" and resid 68   and name HG2%)
 OR {  941}
   (( segid "alk1" and resid 61   and name HG2 ))
   (  segid "alk1" and resid 68   and name HG1%)
 OR {  941}
   (( segid "alk1" and resid 61   and name HG1 ))
   (  segid "alk1" and resid 68   and name HG1%)
!  These Phi and Psi constraints are based on the results of TALOS 
! only for residues with 'Good' status.                            
!                                                                  
!  The center value is the avergae of TALOS predictions.           
!                                                                  
!  The range of constrains are three times of standard deviation   
! of TALOS predictions. But if such a value is smaller than 20     
! degree, the range is set to 20 degree.                           
!                                                  J.I.            
!                                                                  
!L14 (TALOS: Phi -92.0 +/- 30.0  , TALOS: Psi 146.0 +/- 16.0 )
assign (resid  13 and name C)    (resid  14 and name  N)
       (resid  14 and name CA)   (resid  14 and name  C) 1.0  -92.0 90.0  2
assign (resid  14 and name  N)   (resid  14 and name CA)
       (resid  14 and name  C)   (resid  15 and name  N) 1.0  146.0 48.0  2
!V15 (TALOS: Phi -133.0 +/- 13.0  , TALOS: Psi 136.0 +/- 18.0 )
assign (resid  14 and name C)    (resid  15 and name  N)
       (resid  15 and name CA)   (resid  15 and name  C) 1.0  -133.0 39.0  2
assign (resid  15 and name  N)   (resid  15 and name CA)
       (resid  15 and name  C)   (resid  16 and name  N) 1.0  136.0 54.0  2
!T16 (TALOS: Phi -100.0 +/- 7.0   , TALOS: Psi 126.0 +/- 8.0  )
assign (resid  15 and name C)    (resid  16 and name  N)
       (resid  16 and name CA)   (resid  16 and name  C) 1.0  -100.0 21.0  2
assign (resid  16 and name  N)   (resid  16 and name CA)
       (resid  16 and name  C)   (resid  17 and name  N) 1.0  126.0 24.0  2
!T18 (TALOS: Phi -85.0 +/- 23.0  , TALOS: Psi 135.0 +/- 14.0 )
assign (resid  17 and name C)    (resid  18 and name  N)
       (resid  18 and name CA)   (resid  18 and name  C) 1.0  -85.0 69.0  2
assign (resid  18 and name  N)   (resid  18 and name CA)
       (resid  18 and name  C)   (resid  19 and name  N) 1.0  135.0 42.0  2
!E20 (TALOS: Phi -116.0 +/- 24.0  , TALOS: Psi 132.0 +/- 14.0 )
assign (resid  19 and name C)    (resid  20 and name  N)
       (resid  20 and name CA)   (resid  20 and name  C) 1.0  -116.0 72.0  2
assign (resid  20 and name  N)   (resid  20 and name CA)
       (resid  20 and name  C)   (resid  21 and name  N) 1.0  132.0 42.0  2
!S21 (TALOS: Phi -95.0 +/- 31.0  , TALOS: Psi 133.0 +/- 28.0 )
!assign (resid  20 and name C)    (resid  21 and name  N)
!       (resid  21 and name CA)   (resid  21 and name  C) 1.0  -95.0 93.0  2
!assign (resid  21 and name  N)   (resid  21 and name CA)
!       (resid  21 and name  C)   (resid  22 and name  N) 1.0  133.0 84.0  2
!P22 (TALOS: Phi -61.0 +/- 17.0  , TALOS: Psi -33.0 +/- 11.0 )
assign (resid  21 and name C)    (resid  22 and name  N)
       (resid  22 and name CA)   (resid  22 and name  C) 1.0  -61.0 51.0  2
!assign (resid  22 and name  N)   (resid  22 and name CA)
!       (resid  22 and name  C)   (resid  23 and name  N) 1.0  -33.0 33.0  2
!H23 (TALOS: Phi -88.0 +/- 11.0  , TALOS: Psi   3.0 +/- 18.0 )
assign (resid  22 and name C)    (resid  23 and name  N)
       (resid  23 and name CA)   (resid  23 and name  C) 1.0  -88.0 33.0  2
assign (resid  23 and name  N)   (resid  23 and name CA)
       (resid  23 and name  C)   (resid  24 and name  N) 1.0    3.0 54.0  2
!K25 (TALOS: Phi -93.0 +/- 23.0  , TALOS: Psi 129.0 +/- 14.0 )
assign (resid  24 and name C)    (resid  25 and name  N)
       (resid  25 and name CA)   (resid  25 and name  C) 1.0  -93.0 69.0  2
!assign (resid  25 and name  N)   (resid  25 and name CA)
!       (resid  25 and name  C)   (resid  26 and name  N) 1.0  129.0 42.0  2
!P27 (TALOS: Phi -89.0 +/- 18.0  , TALOS: Psi 139.0 +/- 8.0  )
assign (resid  26 and name C)    (resid  27 and name  N)
       (resid  27 and name CA)   (resid  27 and name  C) 1.0  -89.0 54.0  2
!assign (resid  27 and name  N)   (resid  27 and name CA)
!       (resid  27 and name  C)   (resid  28 and name  N) 1.0  139.0 24.0  2
!T28 (TALOS: Phi -135.0 +/- 12.0  , TALOS: Psi 156.0 +/- 7.0  )
assign (resid  27 and name C)    (resid  28 and name  N)
       (resid  28 and name CA)   (resid  28 and name  C) 1.0  -135.0 36.0  2
assign (resid  28 and name  N)   (resid  28 and name CA)
       (resid  28 and name  C)   (resid  29 and name  N) 1.0  156.0 21.0  2
!C29 (TALOS: Phi -143.0 +/- 11.0  , TALOS: Psi 157.0 +/- 5.0  )
assign (resid  28 and name C)    (resid  29 and name  N)
       (resid  29 and name CA)   (resid  29 and name  C) 1.0  -143.0 33.0  2
assign (resid  29 and name  N)   (resid  29 and name CA)
       (resid  29 and name  C)   (resid  30 and name  N) 1.0  157.0 20.0  2
!R30 (TALOS: Phi -106.0 +/- 19.0  , TALOS: Psi 132.0 +/- 13.0 )
assign (resid  29 and name C)    (resid  30 and name  N)
       (resid  30 and name CA)   (resid  30 and name  C) 1.0  -106.0 57.0  2
assign (resid  30 and name  N)   (resid  30 and name CA)
       (resid  30 and name  C)   (resid  31 and name  N) 1.0  132.0 39.0  2
!A32 (TALOS: Phi -83.0 +/- 15.0  , TALOS: Psi -29.0 +/- 10.0 )
assign (resid  31 and name C)    (resid  32 and name  N)
       (resid  32 and name CA)   (resid  32 and name  C) 1.0  -83.0 45.0  2
assign (resid  32 and name  N)   (resid  32 and name CA)
       (resid  32 and name  C)   (resid  33 and name  N) 1.0  -29.0 30.0  2
!C34 (TALOS: Phi -127.0 +/- 18.0  , TALOS: Psi 159.0 +/- 13.0 )
assign (resid  33 and name C)    (resid  34 and name  N)
       (resid  34 and name CA)   (resid  34 and name  C) 1.0  -127.0 54.0  2
assign (resid  34 and name  N)   (resid  34 and name CA)
       (resid  34 and name  C)   (resid  35 and name  N) 1.0  159.0 39.0  2
!T35 (TALOS: Phi -136.3 +/- 12.1  , TALOS: Psi 147.4 +/- 8.2  )
assign (resid  34 and name C)    (resid  35 and name  N)
       (resid  35 and name CA)   (resid  35 and name  C) 1.0  -136.3 36.4  2
assign (resid  35 and name  N)   (resid  35 and name CA)
       (resid  35 and name  C)   (resid  36 and name  N) 1.0  147.4 24.6  2
!V36 (TALOS: Phi -132.0 +/- 8.5   , TALOS: Psi 130.4 +/- 12.5 )
assign (resid  35 and name C)    (resid  36 and name  N)
       (resid  36 and name CA)   (resid  36 and name  C) 1.0  -132.0 25.4  2
assign (resid  36 and name  N)   (resid  36 and name CA)
       (resid  36 and name  C)   (resid  37 and name  N) 1.0  130.4 37.4  2
!V37 (TALOS: Phi -121.6 +/- 10.1  , TALOS: Psi 137.2 +/- 6.5  )
!assign (resid  36 and name C)    (resid  37 and name  N)
!       (resid  37 and name CA)   (resid  37 and name  C) 1.0  -121.6 30.2  2
assign (resid  37 and name  N)   (resid  37 and name CA)
       (resid  37 and name  C)   (resid  38 and name  N) 1.0  137.2 20.0  2
!L38 (TALOS: Phi -106.5 +/- 20.3  , TALOS: Psi 123.9 +/- 8.7  )
assign (resid  37 and name C)    (resid  38 and name  N)
       (resid  38 and name CA)   (resid  38 and name  C) 1.0  -106.5 60.8  2
assign (resid  38 and name  N)   (resid  38 and name CA)
       (resid  38 and name  C)   (resid  39 and name  N) 1.0  123.9 26.2  2
!V39 (TALOS: Phi -113.9 +/- 9.9   , TALOS: Psi 121.2 +/- 9.7  )
assign (resid  38 and name C)    (resid  39 and name  N)
       (resid  39 and name CA)   (resid  39 and name  C) 1.0  -113.9 29.8  2
assign (resid  39 and name  N)   (resid  39 and name CA)
       (resid  39 and name  C)   (resid  40 and name  N) 1.0  121.2 29.0  2
!R40 (TALOS: Phi -107.7 +/- 18.7  , TALOS: Psi 124.8 +/- 7.9  )
assign (resid  39 and name C)    (resid  40 and name  N)
       (resid  40 and name CA)   (resid  40 and name  C) 1.0  -107.7 56.1  2
!assign (resid  40 and name  N)   (resid  40 and name CA)
!       (resid  40 and name  C)   (resid  41 and name  N) 1.0  124.8 23.7  2
!E42 (TALOS: Phi -78.0 +/- 31.0  , TALOS: Psi 139.0 +/- 22.0 )
!assign (resid  41 and name C)    (resid  42 and name  N)
!       (resid  42 and name CA)   (resid  42 and name  C) 1.0  -78.0 93.0  2
assign (resid  42 and name  N)   (resid  42 and name CA)
       (resid  42 and name  C)   (resid  43 and name  N) 1.0  139.0 66.0  2
!R44 (TALOS: Phi -112.9 +/- 24.8  , TALOS: Psi 149.9 +/- 16.4 )
assign (resid  43 and name C)    (resid  44 and name  N)
       (resid  44 and name CA)   (resid  44 and name  C) 1.0  -112.9 74.4  2
!assign (resid  44 and name  N)   (resid  44 and name CA)
!       (resid  44 and name  C)   (resid  45 and name  N) 1.0  149.9 49.3  2
!H45 (TALOS: Phi -97.4 +/- 28.7  , TALOS: Psi 115.6 +/- 32.0 )
assign (resid  44 and name C)    (resid  45 and name  N)
       (resid  45 and name CA)   (resid  45 and name  C) 1.0  -97.4 86.1  2
assign (resid  45 and name  N)   (resid  45 and name CA)
       (resid  45 and name  C)   (resid  46 and name  N) 1.0  115.6 96.1  2
!P46 (TALOS: Phi -79.4 +/- 25.8  , TALOS: Psi 141.1 +/- 11.3 )
assign (resid  45 and name C)    (resid  46 and name  N)
       (resid  46 and name CA)   (resid  46 and name  C) 1.0  -79.4 77.2  2
!assign (resid  46 and name  N)   (resid  46 and name CA)
!       (resid  46 and name  C)   (resid  47 and name  N) 1.0  141.1 33.8  2
!Q47 (TALOS: Phi -119.7 +/- 14.5  , TALOS: Psi 145.2 +/- 7.8  )
assign (resid  46 and name C)    (resid  47 and name  N)
       (resid  47 and name CA)   (resid  47 and name  C) 1.0  -119.7 43.6  2
assign (resid  47 and name  N)   (resid  47 and name CA)
       (resid  47 and name  C)   (resid  48 and name  N) 1.0  145.2 23.5  2
!E48 (TALOS: Phi -113.0 +/- 14.5  , TALOS: Psi 128.5 +/- 12.0 )
assign (resid  47 and name C)    (resid  48 and name  N)
       (resid  48 and name CA)   (resid  48 and name  C) 1.0  -113.0 43.4  2
assign (resid  48 and name  N)   (resid  48 and name CA)
       (resid  48 and name  C)   (resid  49 and name  N) 1.0  128.5 35.9  2
!H49 (TALOS: Phi -121.7 +/- 12.3  , TALOS: Psi 141.1 +/- 13.0 )
assign (resid  48 and name C)    (resid  49 and name  N)
       (resid  49 and name CA)   (resid  49 and name  C) 1.0  -121.7 36.8  2
assign (resid  49 and name  N)   (resid  49 and name CA)
       (resid  49 and name  C)   (resid  50 and name  N) 1.0  141.1 39.0  2
!R50 (TALOS: Phi -123.2 +/- 8.6   , TALOS: Psi 123.6 +/- 12.0 )
assign (resid  49 and name C)    (resid  50 and name  N)
       (resid  50 and name CA)   (resid  50 and name  C) 1.0  -123.2 25.9  2
assign (resid  50 and name  N)   (resid  50 and name CA)
       (resid  50 and name  C)   (resid  51 and name  N) 1.0  123.6 36.1  2
!C52 (TALOS: Phi -138.0 +/- 9.0   , TALOS: Psi 155.0 +/- 14.0 )
!assign (resid  51 and name C)    (resid  52 and name  N)
!       (resid  52 and name CA)   (resid  52 and name  C) 1.0  -138.0 27.0  2
assign (resid  52 and name  N)   (resid  52 and name CA)
       (resid  52 and name  C)   (resid  53 and name  N) 1.0  155.0 42.0  2
!L55 (TALOS: Phi -115.0 +/- 27.4  , TALOS: Psi 159.3 +/- 12.7 )
assign (resid  54 and name C)    (resid  55 and name  N)
       (resid  55 and name CA)   (resid  55 and name  C) 1.0  -115.0 82.2  2
!assign (resid  55 and name  N)   (resid  55 and name CA)
!       (resid  55 and name  C)   (resid  56 and name  N) 1.0  159.3 38.1  2
!H56 (TALOS: Phi -78.8 +/- 16.3  , TALOS: Psi  99.9 +/- 32.1 )
assign (resid  55 and name C)    (resid  56 and name  N)
       (resid  56 and name CA)   (resid  56 and name  C) 1.0  -78.8 49.0  2
assign (resid  56 and name  N)   (resid  56 and name CA)
       (resid  56 and name  C)   (resid  57 and name  N) 1.0   99.9 96.4  2
!R57 (TALOS: Phi -68.1 +/- 10.3  , TALOS: Psi -29.1 +/- 13.6 )
assign (resid  56 and name C)    (resid  57 and name  N)
       (resid  57 and name CA)   (resid  57 and name  C) 1.0  -68.1 31.0  2
assign (resid  57 and name  N)   (resid  57 and name CA)
       (resid  57 and name  C)   (resid  58 and name  N) 1.0  -29.1 40.7  2
!E58 (TALOS: Phi -64.7 +/- 10.0  , TALOS: Psi -34.1 +/- 13.1 )
assign (resid  57 and name C)    (resid  58 and name  N)
       (resid  58 and name CA)   (resid  58 and name  C) 1.0  -64.7 30.1  2
assign (resid  58 and name  N)   (resid  58 and name CA)
       (resid  58 and name  C)   (resid  59 and name  N) 1.0  -34.1 39.2  2
!C60 (TALOS: Phi -140.0 +/- 15.0  , TALOS: Psi 157.0 +/- 7.0  )
assign (resid  59 and name C)    (resid  60 and name  N)
       (resid  60 and name CA)   (resid  60 and name  C) 1.0  -140.0 45.0  2
!assign (resid  60 and name  N)   (resid  60 and name CA)
!       (resid  60 and name  C)   (resid  61 and name  N) 1.0  157.0 21.0  2
!R63 (TALOS: Phi -101.0 +/- 15.0  , TALOS: Psi 135.0 +/- 17.0 )
assign (resid  62 and name C)    (resid  63 and name  N)
       (resid  63 and name CA)   (resid  63 and name  C) 1.0  -101.0 45.0  2
assign (resid  63 and name  N)   (resid  63 and name CA)
       (resid  63 and name  C)   (resid  64 and name  N) 1.0  135.0 51.0  2
!H70 (TALOS: Phi -97.0 +/- 19.0  , TALOS: Psi 135.0 +/- 14.0 )
assign (resid  69 and name C)    (resid  70 and name  N)
       (resid  70 and name CA)   (resid  70 and name  C) 1.0  -97.0 57.0  2
assign (resid  70 and name  N)   (resid  70 and name CA)
       (resid  70 and name  C)   (resid  71 and name  N) 1.0  135.0 42.0  2
!Y71 (TALOS: Phi -126.0 +/- 17.0  , TALOS: Psi 136.0 +/- 16.0 )
assign (resid  70 and name C)    (resid  71 and name  N)
       (resid  71 and name CA)   (resid  71 and name  C) 1.0  -126.0 51.0  2
assign (resid  71 and name  N)   (resid  71 and name CA)
       (resid  71 and name  C)   (resid  72 and name  N) 1.0  136.0 48.0  2
!C72 (TALOS: Phi -134.0 +/- 10.0  , TALOS: Psi 160.0 +/- 9.0  )
assign (resid  71 and name C)    (resid  72 and name  N)
       (resid  72 and name CA)   (resid  72 and name  C) 1.0  -134.0 30.0  2
assign (resid  72 and name  N)   (resid  72 and name CA)
       (resid  72 and name  C)   (resid  73 and name  N) 1.0  160.0 27.0  2
!C73 (TALOS: Phi -135.0 +/- 19.0  , TALOS: Psi 151.0 +/- 13.0 )
assign (resid  72 and name C)    (resid  73 and name  N)
       (resid  73 and name CA)   (resid  73 and name  C) 1.0  -135.0 57.0  2
assign (resid  73 and name  N)   (resid  73 and name CA)
       (resid  73 and name  C)   (resid  74 and name  N) 1.0  151.0 39.0  2
!S75 (TALOS: Phi -114.0 +/- 29.0  , TALOS: Psi 150.0 +/- 11.0 )
assign (resid  74 and name C)    (resid  75 and name  N)
       (resid  75 and name CA)   (resid  75 and name  C) 1.0  -114.0 87.0  2
assign (resid  75 and name  N)   (resid  75 and name CA)
       (resid  75 and name  C)   (resid  76 and name  N) 1.0  150.0 33.0  2
!S83 (TALOS: Phi -114.0 +/- 27.0  , TALOS: Psi 131.0 +/- 15.0 )
assign (resid  82 and name C)    (resid  83 and name  N)
       (resid  83 and name CA)   (resid  83 and name  C) 1.0  -114.0 81.0  2
assign (resid  83 and name  N)   (resid  83 and name CA)
       (resid  83 and name  C)   (resid  84 and name  N) 1.0  131.0 45.0  2
!L84 (TALOS: Phi -89.0 +/- 23.0  , TALOS: Psi 132.0 +/- 15.0 )
assign (resid  83 and name C)    (resid  84 and name  N)
       (resid  84 and name CA)   (resid  84 and name  C) 1.0  -89.0 69.0  2
!assign (resid  84 and name  N)   (resid  84 and name CA)
!       (resid  84 and name  C)   (resid  85 and name  N) 1.0  132.0 45.0  2
!Q90 (TALOS: Phi -93.0 +/- 23.0  , TALOS: Psi 132.0 +/- 28.0 )
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 69.0  2
!assign (resid  90 and name  N)   (resid  90 and name CA)
!       (resid  90 and name  C)   (resid  91 and name  N) 1.0  132.0 84.0  2
!Q95 (TALOS: Phi -81.0 +/- 14.0  , TALOS: Psi 136.0 +/- 15.0 )
assign (resid  94 and name C)    (resid  95 and name  N)
       (resid  95 and name CA)   (resid  95 and name  C) 1.0  -81.0 42.0  2
assign (resid  95 and name  N)   (resid  95 and name CA)
       (resid  95 and name  C)   (resid  96 and name  N) 1.0  136.0 45.0  2
assign (resid 14 and name c ) (resid 15 and name n )
       (resid 15 and name ca) (resid 15 and name c )     8.54   0.090
assign (resid 15 and name c ) (resid 16 and name n )
       (resid 16 and name ca) (resid 16 and name c )     7.42   0.120
assign (resid 16 and name c ) (resid 17 and name n )
       (resid 17 and name ca) (resid 17 and name c )     8.62   0.160
!assign (resid 17 and name c ) (resid 18 and name n )
!       (resid 18 and name ca) (resid 18 and name c )     5.56   0.400  !! changed from 0.180!!
!assign (resid 18 and name c ) (resid 19 and name n )
!       (resid 19 and name ca) (resid 19 and name c )     8.46   0.400
!assign (resid 19 and name c ) (resid 20 and name n )
!       (resid 20 and name ca) (resid 20 and name c )     7.13   0.160
!assign (resid 20 and name c ) (resid 21 and name n )
!       (resid 21 and name ca) (resid 21 and name c )     3.52   0.090
!assign (resid 22 and name c ) (resid 23 and name n )
!       (resid 23 and name ca) (resid 23 and name c )     7.17   0.640
!assign (resid 23 and name c ) (resid 24 and name n )
!       (resid 24 and name ca) (resid 24 and name c )     5.12   0.100
!assign (resid 27 and name c ) (resid 28 and name n )
!       (resid 28 and name ca) (resid 28 and name c )     7.60   0.040
assign (resid 28 and name c ) (resid 29 and name n )
       (resid 29 and name ca) (resid 29 and name c )     7.05   0.100
assign (resid 29 and name c ) (resid 30 and name n )
       (resid 30 and name ca) (resid 30 and name c )     8.28   0.080
!assign (resid 31 and name c ) (resid 32 and name n )
!       (resid 32 and name ca) (resid 32 and name c )     5.53   0.090
assign (resid 32 and name c ) (resid 33 and name n )
       (resid 33 and name ca) (resid 33 and name c )     5.09   0.080
!assign (resid 33 and name c ) (resid 34 and name n )
!       (resid 34 and name ca) (resid 34 and name c )     5.79   0.350
!assign (resid 34 and name c ) (resid 35 and name n )
!        (resid 35 and name ca) (resid 35 and name c )     8.73   0.170
!assign (resid 35 and name c ) (resid 36 and name n )
!       (resid 36 and name ca) (resid 36 and name c )     7.23   0.220
assign (resid 36 and name c ) (resid 37 and name n )
       (resid 37 and name ca) (resid 37 and name c )     8.21   0.130
assign (resid 37 and name c ) (resid 38 and name n )
       (resid 38 and name ca) (resid 38 and name c )     7.59   0.260
assign (resid 38 and name c ) (resid 39 and name n )
       (resid 39 and name ca) (resid 39 and name c )     8.46   0.110
!assign (resid 39 and name c ) (resid 40 and name n )
!       (resid 40 and name ca) (resid 40 and name c )     7.81   0.400
!assign (resid 40 and name c ) (resid 41 and name n )
!       (resid 41 and name ca) (resid 41 and name c )     7.30   0.030
!assign (resid 41 and name c ) (resid 42 and name n )
!       (resid 42 and name ca) (resid 42 and name c )     3.47   0.050
!assign (resid 43 and name c ) (resid 44 and name n )
!       (resid 44 and name ca) (resid 44 and name c )     7.83   0.400
assign (resid 47 and name c ) (resid 48 and name n )
       (resid 48 and name ca) (resid 48 and name c )     7.34   0.070
!assign (resid 48 and name c ) (resid 49 and name n )
!       (resid 49 and name ca) (resid 49 and name c )     8.50   0.140
assign (resid 51 and name c ) (resid 52 and name n )
       (resid 52 and name ca) (resid 52 and name c )     8.90   0.160
assign (resid 53 and name c ) (resid 54 and name n )
       (resid 54 and name ca) (resid 54 and name c )     8.30   0.420
!assign (resid 56 and name c ) (resid 57 and name n )
!       (resid 57 and name ca) (resid 57 and name c )     3.33   1.030
!assign (resid 57 and name c ) (resid 58 and name n )
!       (resid 58 and name ca) (resid 58 and name c )     6.41   2.750
assign (resid 58 and name c ) (resid 59 and name n )
       (resid 59 and name ca) (resid 59 and name c )     5.89   0.310
!assign (resid 59 and name c ) (resid 60 and name n )
!       (resid 60 and name ca) (resid 60 and name c )     5.11   0.200
!assign (resid 60 and name c ) (resid 61 and name n )
!       (resid 61 and name ca) (resid 61 and name c )     8.36   0.710
!assign (resid 62 and name c ) (resid 63 and name n )
!       (resid 63 and name ca) (resid 63 and name c )     6.68   0.100
assign (resid 64 and name c ) (resid 65 and name n )
       (resid 65 and name ca) (resid 65 and name c )     7.87   0.370
!assign (resid 65 and name c ) (resid 66 and name n )
!       (resid 66 and name ca) (resid 66 and name c )     5.40   0.720
!assign (resid 66 and name c ) (resid 67 and name n )
!       (resid 67 and name ca) (resid 67 and name c )     6.87   0.110
!assign (resid 68 and name c ) (resid 69 and name n )
!       (resid 69 and name ca) (resid 69 and name c )     7.71   0.310
!assign (resid 69 and name c ) (resid 70 and name n )
!       (resid 70 and name ca) (resid 70 and name c )     6.33   0.440
!assign (resid 70 and name c ) (resid 71 and name n )
!       (resid 71 and name ca) (resid 71 and name c )     7.96   0.500
!assign (resid 71 and name c ) (resid 72 and name n )
!       (resid 72 and name ca) (resid 72 and name c )     8.27   0.190
!assign (resid 72 and name c ) (resid 73 and name n )
!       (resid 73 and name ca) (resid 73 and name c )     6.32   0.120
!assign (resid 74 and name c ) (resid 75 and name n )
!       (resid 75 and name ca) (resid 75 and name c )     7.54   0.060
assign (resid 76 and name c ) (resid 77 and name n )
       (resid 77 and name ca) (resid 77 and name c )     6.53   0.400
!assign (resid 77 and name c ) (resid 78 and name n )
!       (resid 78 and name ca) (resid 78 and name c )     1.90   0.230
assign (resid 78 and name c ) (resid 79 and name n )
       (resid 79 and name ca) (resid 79 and name c )     7.23   0.090
!assign (resid 80 and name c ) (resid 81 and name n )
!       (resid 81 and name ca) (resid 81 and name c )     7.68   0.850
!assign (resid 81 and name c ) (resid 82 and name n )
!       (resid 82 and name ca) (resid 82 and name c )     6.52   0.400
!assign (resid 83 and name c ) (resid 84 and name n )
!       (resid 84 and name ca) (resid 84 and name c )     7.98   0.930
!assign (resid 84 and name c ) (resid 85 and name n )
!       (resid 85 and name ca) (resid 85 and name c )     7.45   0.400
!assign (resid 85 and name c ) (resid 86 and name n )
!       (resid 86 and name ca) (resid 86 and name c )     6.45   0.060
!assign (resid 86 and name c ) (resid 87 and name n )
!       (resid 87 and name ca) (resid 87 and name c )     6.01   0.060
!assign (resid 87 and name c ) (resid 88 and name n )
!       (resid 88 and name ca) (resid 88 and name c )     5.56   0.400
!assign (resid 88 and name c ) (resid 89 and name n )
!       (resid 89 and name ca) (resid 89 and name c )     6.98   0.020
!assign (resid 89 and name c ) (resid 90 and name n )
!       (resid 90 and name ca) (resid 90 and name c )     6.61   0.020
!assign (resid 92 and name c ) (resid 93 and name n )
!       (resid 93 and name ca) (resid 93 and name c )     6.40   0.020
!assign (resid 100 and name c ) (resid 101 and name n )
!       (resid 101 and name ca) (resid 101 and name c )     7.18   0.010
!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   7   and name    N  )
!     ( resid   7   and name    HN )  -8.3 0.2000
 
!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   8   and name    N  )
!     ( resid   8   and name    HN )  -9.0 0.2000
 
assign     ( resid 999  and name OO        )
     ( resid   999 and name    Z  )
     ( resid   999 and name    X  )
     ( resid   999 and name    Y  )
     ( resid   10  and name    N  )
     ( resid   10  and name    HN )  -1.2 0.2000

assign     ( resid 999  and name OO        )
     ( resid   999 and name    Z  )
     ( resid   999 and name    X  )
     ( resid   999 and name    Y  )
     ( resid   11  and name    N  )
     ( resid   11  and name    HN )  -5.5 0.2000

assign     ( resid 999  and name OO        )
     ( resid   999 and name    Z  )
     ( resid   999 and name    X  )
     ( resid   999 and name    Y  )
     ( resid   12  and name    N  )
     ( resid   12  and name    HN )  -2.8 0.2000

assign     ( resid 999  and name OO        )
     ( resid   999 and name    Z  )
     ( resid   999 and name    X  )
     ( resid   999 and name    Y  )
     ( resid   14  and name    N  )
     ( resid   14  and name    HN )  -8.9 0.2000

!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   15  and name    N  )
!     ( resid   15  and name    HN )  10.4 0.2000

!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   16  and name    N  )
!     ( resid   16  and name    HN )   7.8 0.2000

!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   17  and name    N  )
!     ( resid   17  and name    HN )  -13.7 0.2000

!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   18  and name    N  )
!     ( resid   18  and name    HN )  -4.7 0.5000

assign     ( resid 999  and name OO        )
     ( resid   999 and name    Z  )
     ( resid   999 and name    X  )
     ( resid   999 and name    Y  )
     ( resid   19  and name    N  )
     ( resid   19  and name    HN )   7.0 0.2000

assign     ( resid 999  and name OO        )
     ( resid   999 and name    Z  )
     ( resid   999 and name    X  )
     ( resid   999 and name    Y  )
     ( resid   20  and name    N  )
     ( resid   20  and name    HN )  12.3 0.2000

!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   21  and name    N  )
!     ( resid   21  and name    HN )  -3.3 0.2000

!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   24  and name    N  )
!     ( resid   24  and name    HN )  -21.3 0.2000

assign     ( resid 999  and name OO        )
     ( resid   999 and name    Z  )
     ( resid   999 and name    X  )
     ( resid   999 and name    Y  )
     ( resid   26  and name    N  )
     ( resid   26  and name    HN )   5.0 0.2000

!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   28  and name    N  )
!     ( resid   28  and name    HN )  -12.8 0.2000

assign     ( resid 999  and name OO        )
     ( resid   999 and name    Z  )
     ( resid   999 and name    X  )
     ( resid   999 and name    Y  )
     ( resid   29  and name    N  )
     ( resid   29  and name    HN )  -7.9 0.2000

assign     ( resid 999  and name OO        )
     ( resid   999 and name    Z  )
     ( resid   999 and name    X  )
     ( resid   999 and name    Y  )
     ( resid   30  and name    N  )
     ( resid   30  and name    HN )  -2.5 0.2000

assign     ( resid 999  and name OO        )
     ( resid   999 and name    Z  )
     ( resid   999 and name    X  )
     ( resid   999 and name    Y  )
     ( resid   31  and name    N  )
     ( resid   31  and name    HN )   2.5 0.2000

assign     ( resid 999  and name OO        )
     ( resid   999 and name    Z  )
     ( resid   999 and name    X  )
     ( resid   999 and name    Y  )
     ( resid   32  and name    N  )
     ( resid   32  and name    HN )  -3.9 0.2000

!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   33  and name    N  )
!     ( resid   33  and name    HN )  14.7 0.2000
 
!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   34  and name    N  )
!     ( resid   34  and name    HN )   6.1 0.2000

assign     ( resid 999  and name OO        )
     ( resid   999 and name    Z  )
     ( resid   999 and name    X  )
     ( resid   999 and name    Y  )
     ( resid   35  and name    N  )
     ( resid   35  and name    HN )   0.5 0.2000

assign     ( resid 999  and name OO        )
     ( resid   999 and name    Z  )
     ( resid   999 and name    X  )
     ( resid   999 and name    Y  )
     ( resid   37  and name    N  )
     ( resid   37  and name    HN )  10.1 0.2000

!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   38  and name    N  )
!     ( resid   38  and name    HN )  15.3 0.8000 !! Changed from 0.2 !!!

!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   39  and name    N  )
!     ( resid   39  and name    HN )   5.7 0.8000 !! Changed from 0.2 & 0.5 !!!

!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   40  and name    N  )
!     ( resid   40  and name    HN )   2.7 0.2000

!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   41  and name    N  )
!     ( resid   41  and name    HN )  -2.7 0.2000

!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    N  )
!     ( resid   42  and name    HN )  -9.4 0.8000 !!!changed from 0.2!!!

!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    N  )
!     ( resid   43  and name    HN )  -0.4 0.2000

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    N  )
     ( resid   44  and name    HN )   3.5 0.2000

!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    N  )
!     ( resid   48  and name    HN )   6.4 0.2000

!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    N  )
!     ( resid   49  and name    HN )  11.3 0.2000

!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    N  )
!     ( resid   51  and name    HN )   2.9 0.2000

!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    N  )
!     ( resid   52  and name    HN )  10.3 0.2000

!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    N  )
!     ( resid   53  and name    HN )   8.2 0.2000

!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    N  )
!     ( resid   58  and name    HN )  -17.1 0.2000

!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    N  )
!     ( resid   59  and name    HN )  -23.8 0.2000

!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    N  )
!     ( resid   60  and name    HN )  -13.4 0.5000

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    N  )
     ( resid   61  and name    HN )  -4.8 0.2000

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    N  )
     ( resid   62  and name    HN )   4.1 0.2000

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    N  )
     ( resid   63  and name    HN )   9.1 0.2000

!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    N  )
!     ( resid   65  and name    HN )  -2.4 0.2000

!assign     ( resid 999  and name OO        )
!     ( resid   999 and name    Z  )
!     ( resid   999 and name    X  )
!     ( resid   999 and name    Y  )
!     ( resid   66  and name    N  )
!     ( resid   66  and name    HN )   0.6 0.2000

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    N  )
     ( resid   67  and name    HN )   3.4 0.5000

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    N  )
     ( resid   68  and name    HN )   3.6 0.2000

assign     ( resid 999  and name OO        )
     ( resid   999 and name    Z  )
     ( resid   999 and name    X  )
     ( resid   999 and name    Y  )
     ( resid   69  and name    N  )
     ( resid   69  and name    HN )   0.9 0.2000

!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    N  )
!     ( resid   71  and name    HN )  13.5 0.2000

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    N  )
     ( resid   72  and name    HN )  -0.9 0.2000

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    N  )
     ( resid   73  and name    HN )  -2.5 0.2000

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    N  )
     ( resid   75  and name    HN )  -4.2 0.2000

!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    N  )
!     ( resid   76  and name    HN )   9.4 0.2000

!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    N  )
!     ( resid   77  and name    HN )  -15.1 0.2000

!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    N  )
!     ( resid   78  and name    HN )  -15.2 0.2000

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    N  )
     ( resid   80  and name    HN )  -5.1 0.2000

!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    N  )
!     ( resid   82  and name    HN )  -17.2 0.5000

!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    N  )
!     ( resid   84  and name    HN )   3.9 0.2000

!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    N  )
!     ( resid   85  and name    HN )   7.2 0.2000

!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    N  )
!     ( resid   86  and name    HN )   1.7 0.2000

!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    N  )
!     ( resid   87  and name    HN )  -1.9 0.2000

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    N  )
     ( resid   88  and name    HN )   3.3 0.2000

!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    N  )
!     ( resid   89  and name    HN )   3.0 0.2000

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    N  )
     ( resid   90  and name    HN )  -0.1 0.2000

!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    N  )
!     ( resid   93  and name    HN )  -7.9 0.2000

!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    N  )
!     ( resid   94  and name    HN )  -1.3 0.2000

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    N  )
     ( resid   95  and name    HN )   0.3 0.2000

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    N  )
     ( resid   97  and name    HN )  -1.0 0.2000

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    N  )
     ( resid   98  and name    HN )   0.7 0.2000

!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    N  )
!     ( resid   99  and name    HN )   2.0 0.2000
!
!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    N  )
!     ( resid   100 and name    HN )  -1.1 0.2000
!
!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    N  )
!     ( resid   101 and name    HN )   4.9 0.2000
!
assign (resid  17 and name sg) (resid  34 and name sg)  2.02 0.1 0.1
assign (resid  19 and name sg) (resid  24 and name sg)  2.02 0.1 0.1
assign (resid  29 and name sg) (resid  52 and name sg)  2.02 0.1 0.1
assign (resid  60 and name sg) (resid  72 and name sg)  2.02 0.1 0.1
assign (resid  73 and name sg) (resid  78 and name sg)  2.02 0.1 0.1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ASP   1           HN       ASP   1  19.656  10.386  -5.641
    2    HA   ASP   1           HA       ASP   1  21.763  11.941  -4.355
    3    HB2  ASP   1           HB2      ASP   1  19.511  13.000  -3.790
    4    HB3  ASP   1           HB1      ASP   1  19.109  11.504  -2.962
    5    HA   PRO   2           HA       PRO   2  22.963   7.896  -2.951
    6    HB2  PRO   2           HB2      PRO   2  23.739   9.193  -0.401
    7    HB3  PRO   2           HB1      PRO   2  24.710   8.225  -1.516
    8    HG2  PRO   2           HG2      PRO   2  25.018  10.869  -1.376
    9    HG3  PRO   2           HG1      PRO   2  25.113  10.017  -2.929
   10    HD2  PRO   2           HD2      PRO   2  22.876  11.643  -1.789
   11    HD3  PRO   2           HD1      PRO   2  23.473  11.556  -3.460
   12    H    VAL   3           HN       VAL   3  20.775   7.145  -2.761
   13    HA   VAL   3           HA       VAL   3  19.901   6.901   0.041
   14    HB   VAL   3           HB       VAL   3  18.112   6.833  -2.404
   15   HG11  VAL   3          HG11      VAL   3  17.439   6.848   0.536
   16   HG12  VAL   3          HG12      VAL   3  17.277   5.479  -0.563
   17   HG13  VAL   3          HG13      VAL   3  16.276   6.913  -0.788
   18   HG21  VAL   3          HG21      VAL   3  18.970   9.083  -2.048
   19   HG22  VAL   3          HG22      VAL   3  18.464   9.024  -0.360
   20   HG23  VAL   3          HG23      VAL   3  17.256   8.999  -1.644
   21    H    LYS   4           HN       LYS   4  19.359   4.867   0.748
   22    HA   LYS   4           HA       LYS   4  20.527   2.606  -0.349
   23    HB2  LYS   4           HB2      LYS   4  18.077   2.783   1.410
   24    HB3  LYS   4           HB1      LYS   4  18.983   1.310   1.107
   25    HG2  LYS   4           HG2      LYS   4  20.922   2.233   2.215
   26    HG3  LYS   4           HG1      LYS   4  20.098   3.781   2.424
   27    HD2  LYS   4           HD2      LYS   4  18.392   2.652   3.804
   28    HD3  LYS   4           HD1      LYS   4  19.284   1.140   3.636
   29    HE2  LYS   4           HE2      LYS   4  20.380   3.665   4.866
   30    HE3  LYS   4           HE1      LYS   4  19.725   2.303   5.773
   31    HZ1  LYS   4           HZ1      LYS   4  22.111   2.256   4.001
   32    HZ2  LYS   4           HZ2      LYS   4  21.453   0.894   4.773
   33    HZ3  LYS   4           HZ3      LYS   4  22.105   2.159   5.696
   34    HA   PRO   5           HA       PRO   5  17.881   1.901  -3.931
   35    HB2  PRO   5           HB2      PRO   5  19.220  -0.753  -3.754
   36    HB3  PRO   5           HB1      PRO   5  19.046   0.329  -5.142
   37    HG2  PRO   5           HG2      PRO   5  21.383   0.111  -3.886
   38    HG3  PRO   5           HG1      PRO   5  20.810   1.684  -4.473
   39    HD2  PRO   5           HD2      PRO   5  20.832   0.594  -1.688
   40    HD3  PRO   5           HD1      PRO   5  21.157   2.244  -2.258
   41    H    SER   6           HN       SER   6  15.809   1.444  -3.621
   42    HA   SER   6           HA       SER   6  13.910   0.811  -2.502
   43    HB2  SER   6           HB2      SER   6  15.185  -1.890  -2.937
   44    HB3  SER   6           HB1      SER   6  13.459  -1.545  -2.800
   45    HG   SER   6           HG       SER   6  14.798  -0.074  -4.715
   46    H    ARG   7           HN       ARG   7  16.178   1.333  -0.687
   47    HA   ARG   7           HA       ARG   7  16.428   1.440   1.540
   48    HB2  ARG   7           HB2      ARG   7  13.989   1.291   1.780
   49    HB3  ARG   7           HB1      ARG   7  14.112  -0.467   1.790
   50    HG2  ARG   7           HG2      ARG   7  15.572  -0.259   3.818
   51    HG3  ARG   7           HG1      ARG   7  15.166   1.456   3.851
   52    HD2  ARG   7           HD2      ARG   7  13.714   0.335   5.374
   53    HD3  ARG   7           HD1      ARG   7  12.759   0.807   3.971
   54    HE   ARG   7           HE       ARG   7  12.927  -1.535   3.229
   55   HH11  ARG   7          HH11      ARG   7  13.584  -0.797   6.571
   56   HH12  ARG   7          HH12      ARG   7  13.135  -2.371   7.157
   57   HH21  ARG   7          HH21      ARG   7  12.290  -3.627   3.981
   58   HH22  ARG   7          HH22      ARG   7  12.403  -3.988   5.679
   59    H    GLY   8           HN       GLY   8  16.179  -1.688   0.117
   60    HA2  GLY   8           HA2      GLY   8  18.448  -2.849   0.524
   61    HA3  GLY   8           HA1      GLY   8  17.944  -2.778   2.205
   62    HA   PRO   9           HA       PRO   9  16.144  -6.766   1.873
   63    HB2  PRO   9           HB2      PRO   9  13.850  -5.797   3.467
   64    HB3  PRO   9           HB1      PRO   9  15.004  -7.084   3.826
   65    HG2  PRO   9           HG2      PRO   9  15.090  -4.748   5.122
   66    HG3  PRO   9           HG1      PRO   9  16.572  -5.619   4.690
   67    HD2  PRO   9           HD2      PRO   9  15.325  -3.232   3.384
   68    HD3  PRO   9           HD1      PRO   9  17.039  -3.585   3.690
   69    H    LEU  10           HN       LEU  10  15.509  -6.988  -0.232
   70    HA   LEU  10           HA       LEU  10  13.339  -5.508  -1.338
   71    HB2  LEU  10           HB2      LEU  10  14.915  -7.808  -2.473
   72    HB3  LEU  10           HB1      LEU  10  13.751  -6.848  -3.367
   73    HG   LEU  10           HG       LEU  10  16.302  -5.795  -2.142
   74   HD11  LEU  10          HD11      LEU  10  17.089  -5.590  -4.424
   75   HD12  LEU  10          HD12      LEU  10  15.579  -6.270  -5.029
   76   HD13  LEU  10          HD13      LEU  10  16.674  -7.268  -4.073
   77   HD21  LEU  10          HD21      LEU  10  15.777  -3.744  -3.354
   78   HD22  LEU  10          HD22      LEU  10  14.511  -4.133  -2.189
   79   HD23  LEU  10          HD23      LEU  10  14.257  -4.450  -3.905
   80    H    VAL  11           HN       VAL  11  11.396  -5.936  -0.597
   81    HA   VAL  11           HA       VAL  11  10.333  -8.656  -0.836
   82    HB   VAL  11           HB       VAL  11   9.100  -6.157   0.358
   83   HG11  VAL  11          HG11      VAL  11   8.034  -8.974   0.277
   84   HG12  VAL  11          HG12      VAL  11   7.415  -7.607  -0.648
   85   HG13  VAL  11          HG13      VAL  11   7.293  -7.607   1.112
   86   HG21  VAL  11          HG21      VAL  11  10.886  -7.065   1.735
   87   HG22  VAL  11          HG22      VAL  11  10.134  -8.664   1.677
   88   HG23  VAL  11          HG23      VAL  11   9.315  -7.334   2.495
   89    H    THR  12           HN       THR  12   9.422  -9.135  -2.782
   90    HA   THR  12           HA       THR  12   8.546  -7.003  -4.531
   91    HB   THR  12           HB       THR  12   8.374  -9.990  -4.892
   92    HG1  THR  12           HG1      THR  12  10.021  -8.952  -6.626
   93   HG21  THR  12          HG21      THR  12   7.896  -7.774  -6.872
   94   HG22  THR  12          HG22      THR  12   6.664  -8.834  -6.186
   95   HG23  THR  12          HG23      THR  12   7.912  -9.500  -7.242
   96    H    CYS  13           HN       CYS  13   6.469  -6.473  -5.011
   97    HA   CYS  13           HA       CYS  13   4.294  -8.047  -3.842
   98    HB2  CYS  13           HB2      CYS  13   4.305  -5.045  -3.602
   99    HB3  CYS  13           HB1      CYS  13   3.304  -6.209  -2.742
  100    H    THR  14           HN       THR  14   2.448  -8.055  -5.089
  101    HA   THR  14           HA       THR  14   2.308  -7.228  -7.723
  102    HB   THR  14           HB       THR  14   0.099  -7.555  -5.679
  103    HG1  THR  14           HG1      THR  14   0.676  -9.321  -7.813
  104   HG21  THR  14          HG21      THR  14  -0.167  -7.325  -8.684
  105   HG22  THR  14          HG22      THR  14  -0.710  -6.124  -7.508
  106   HG23  THR  14          HG23      THR  14  -1.468  -7.718  -7.561
  107    H    CYS  15           HN       CYS  15   2.558  -5.165  -8.500
  108    HA   CYS  15           HA       CYS  15   1.628  -3.004  -6.763
  109    HB2  CYS  15           HB2      CYS  15   3.916  -3.299  -8.388
  110    HB3  CYS  15           HB1      CYS  15   2.932  -2.035  -9.120
  111    H    GLU  16           HN       GLU  16   0.244  -1.417  -7.442
  112    HA   GLU  16           HA       GLU  16  -0.903  -1.564 -10.099
  113    HB2  GLU  16           HB2      GLU  16  -2.241  -3.144  -8.714
  114    HB3  GLU  16           HB1      GLU  16  -2.603  -1.822  -7.609
  115    HG2  GLU  16           HG2      GLU  16  -4.442  -2.298  -9.166
  116    HG3  GLU  16           HG1      GLU  16  -3.832  -0.651  -9.298
  117    H    SER  17           HN       SER  17   0.079   0.444 -10.357
  118    HA   SER  17           HA       SER  17   0.105   2.710 -10.520
  119    HB2  SER  17           HB2      SER  17  -2.592   1.986  -9.933
  120    HB3  SER  17           HB1      SER  17  -2.190   3.530  -9.173
  121    HG   SER  17           HG       SER  17  -1.940   2.812 -11.925
  122    HA   PRO  18           HA       PRO  18   0.393   3.836  -5.954
  123    HB2  PRO  18           HB2      PRO  18   1.809   1.871  -4.632
  124    HB3  PRO  18           HB1      PRO  18   0.050   1.877  -4.813
  125    HG2  PRO  18           HG2      PRO  18   1.891   0.020  -5.921
  126    HG3  PRO  18           HG1      PRO  18   0.153   0.125  -6.245
  127    HD2  PRO  18           HD2      PRO  18   2.445   1.277  -7.786
  128    HD3  PRO  18           HD1      PRO  18   0.915   0.577  -8.389
  129    H    HIS  19           HN       HIS  19   3.166   1.755  -6.173
  130    HA   HIS  19           HA       HIS  19   5.012   4.030  -5.972
  131    HB2  HIS  19           HB2      HIS  19   5.986   1.318  -5.348
  132    HB3  HIS  19           HB1      HIS  19   6.232   2.824  -4.472
  133    HD1  HIS  19           HD1      HIS  19   3.907  -0.105  -4.707
  134    HD2  HIS  19           HD2      HIS  19   4.430   3.286  -2.402
  135    HE1  HIS  19           HE1      HIS  19   2.367  -0.379  -2.741
  136    HE2  HIS  19           HE2      HIS  19   2.918   1.556  -1.242
  137    H    CYS  20           HN       CYS  20   3.655   2.006  -8.093
  138    HA   CYS  20           HA       CYS  20   6.018   1.764  -9.788
  139    HB2  CYS  20           HB2      CYS  20   4.207  -0.602  -9.663
  140    HB3  CYS  20           HB1      CYS  20   5.924  -0.528 -10.034
  141    H    LYS  21           HN       LYS  21   5.349   1.490 -12.036
  142    HA   LYS  21           HA       LYS  21   2.697   2.697 -12.302
  143    HB2  LYS  21           HB2      LYS  21   5.006   3.678 -13.240
  144    HB3  LYS  21           HB1      LYS  21   4.530   2.701 -14.626
  145    HG2  LYS  21           HG2      LYS  21   3.734   4.972 -14.883
  146    HG3  LYS  21           HG1      LYS  21   2.372   3.865 -14.694
  147    HD2  LYS  21           HD2      LYS  21   2.348   4.454 -12.255
  148    HD3  LYS  21           HD1      LYS  21   3.548   5.698 -12.607
  149    HE2  LYS  21           HE2      LYS  21   1.982   6.761 -14.161
  150    HE3  LYS  21           HE1      LYS  21   0.783   5.519 -13.804
  151    HZ1  LYS  21           HZ1      LYS  21   1.015   6.277 -11.405
  152    HZ2  LYS  21           HZ2      LYS  21   0.208   7.325 -12.464
  153    HZ3  LYS  21           HZ3      LYS  21   1.814   7.642 -12.017
  154    H    GLY  22           HN       GLY  22   2.518   0.031 -11.885
  155    HA2  GLY  22           HA2      GLY  22   0.639  -0.757 -13.548
  156    HA3  GLY  22           HA1      GLY  22   2.066  -1.083 -14.515
  157    HA   PRO  23           HA       PRO  23   2.405  -4.905 -12.894
  158    HB2  PRO  23           HB2      PRO  23   4.987  -5.509 -13.054
  159    HB3  PRO  23           HB1      PRO  23   4.055  -4.984 -14.449
  160    HG2  PRO  23           HG2      PRO  23   5.980  -3.424 -12.783
  161    HG3  PRO  23           HG1      PRO  23   5.716  -3.365 -14.534
  162    HD2  PRO  23           HD2      PRO  23   4.623  -1.575 -12.640
  163    HD3  PRO  23           HD1      PRO  23   4.102  -1.780 -14.324
  164    H    THR  24           HN       THR  24   5.542  -4.513 -11.492
  165    HA   THR  24           HA       THR  24   4.526  -5.141  -8.834
  166    HB   THR  24           HB       THR  24   6.127  -7.115  -8.747
  167    HG1  THR  24           HG1      THR  24   5.886  -7.583 -11.440
  168   HG21  THR  24          HG21      THR  24   3.709  -7.451  -8.836
  169   HG22  THR  24          HG22      THR  24   4.542  -8.689  -9.774
  170   HG23  THR  24          HG23      THR  24   3.749  -7.346 -10.595
  171    H    CYS  25           HN       CYS  25   6.472  -5.415  -7.312
  172    HA   CYS  25           HA       CYS  25   8.897  -4.123  -8.222
  173    HB2  CYS  25           HB2      CYS  25   7.396  -2.227  -7.737
  174    HB3  CYS  25           HB1      CYS  25   7.190  -2.900  -6.134
  175    H    ARG  26           HN       ARG  26  10.498  -4.732  -7.175
  176    HA   ARG  26           HA       ARG  26  10.474  -5.948  -4.542
  177    HB2  ARG  26           HB2      ARG  26  12.694  -5.238  -6.466
  178    HB3  ARG  26           HB1      ARG  26  13.003  -5.781  -4.822
  179    HG2  ARG  26           HG2      ARG  26  12.019  -7.907  -5.273
  180    HG3  ARG  26           HG1      ARG  26  11.463  -7.364  -6.858
  181    HD2  ARG  26           HD2      ARG  26  14.348  -7.590  -6.008
  182    HD3  ARG  26           HD1      ARG  26  13.482  -8.769  -6.996
  183    HE   ARG  26           HE       ARG  26  13.113  -6.596  -8.448
  184   HH11  ARG  26          HH11      ARG  26  16.029  -7.722  -6.856
  185   HH12  ARG  26          HH12      ARG  26  17.095  -7.002  -8.030
  186   HH21  ARG  26          HH21      ARG  26  14.510  -5.681  -9.999
  187   HH22  ARG  26          HH22      ARG  26  16.235  -5.822  -9.801
  188    H    GLY  27           HN       GLY  27  10.889  -4.822  -2.721
  189    HA2  GLY  27           HA2      GLY  27  12.041  -2.184  -2.897
  190    HA3  GLY  27           HA1      GLY  27  10.324  -2.188  -2.533
  191    H    ALA  28           HN       ALA  28  10.252  -1.553  -0.580
  192    HA   ALA  28           HA       ALA  28  12.207  -2.406   1.402
  193    HB1  ALA  28           HB1      ALA  28  11.116  -0.797   2.873
  194    HB2  ALA  28           HB2      ALA  28   9.827  -0.562   1.690
  195    HB3  ALA  28           HB3      ALA  28  11.477  -0.052   1.314
  196    H    TRP  29           HN       TRP  29   8.802  -2.586   0.775
  197    HA   TRP  29           HA       TRP  29   8.383  -5.113   1.864
  198    HB2  TRP  29           HB2      TRP  29   6.854  -4.319   3.770
  199    HB3  TRP  29           HB1      TRP  29   8.586  -4.252   4.066
  200    HD1  TRP  29           HD1      TRP  29   6.555  -1.557   2.173
  201    HE1  TRP  29           HE1      TRP  29   6.765   0.654   3.465
  202    HE3  TRP  29           HE3      TRP  29   9.151  -3.243   6.239
  203    HZ2  TRP  29           HZ2      TRP  29   7.886   1.568   5.894
  204    HZ3  TRP  29           HZ3      TRP  29   9.748  -1.640   8.007
  205    HH2  TRP  29           HH2      TRP  29   9.128   0.717   7.835
  206    H    CYS  30           HN       CYS  30   5.778  -5.175   2.308
  207    HA   CYS  30           HA       CYS  30   4.694  -4.160  -0.199
  208    HB2  CYS  30           HB2      CYS  30   3.736  -6.214   1.787
  209    HB3  CYS  30           HB1      CYS  30   2.748  -5.664   0.440
  210    H    THR  31           HN       THR  31   3.578  -2.310  -0.206
  211    HA   THR  31           HA       THR  31   2.017  -1.657   2.208
  212    HB   THR  31           HB       THR  31   2.305   0.782   1.382
  213    HG1  THR  31           HG1      THR  31   4.222  -0.629  -0.109
  214   HG21  THR  31          HG21      THR  31   4.644  -0.698   2.590
  215   HG22  THR  31          HG22      THR  31   3.252  -0.066   3.472
  216   HG23  THR  31          HG23      THR  31   4.369   1.043   2.674
  217    H    VAL  32           HN       VAL  32  -0.094  -1.551   1.871
  218    HA   VAL  32           HA       VAL  32  -1.048  -1.001  -0.857
  219    HB   VAL  32           HB       VAL  32  -3.170  -1.978  -0.283
  220   HG11  VAL  32          HG11      VAL  32  -2.535  -4.277   0.084
  221   HG12  VAL  32          HG12      VAL  32  -0.958  -3.765   0.682
  222   HG13  VAL  32          HG13      VAL  32  -1.394  -3.486  -1.001
  223   HG21  VAL  32          HG21      VAL  32  -3.141  -1.219   2.125
  224   HG22  VAL  32          HG22      VAL  32  -2.154  -2.642   2.469
  225   HG23  VAL  32          HG23      VAL  32  -3.794  -2.830   1.829
  226    H    VAL  33           HN       VAL  33  -2.889   0.466  -1.060
  227    HA   VAL  33           HA       VAL  33  -3.425   2.286   1.035
  228    HB   VAL  33           HB       VAL  33  -2.500   4.032  -0.984
  229   HG11  VAL  33          HG11      VAL  33  -1.061   4.900   0.799
  230   HG12  VAL  33          HG12      VAL  33  -1.415   3.462   1.759
  231   HG13  VAL  33          HG13      VAL  33  -2.707   4.591   1.348
  232   HG21  VAL  33          HG21      VAL  33  -0.977   2.252  -1.743
  233   HG22  VAL  33          HG22      VAL  33  -0.295   2.168  -0.117
  234   HG23  VAL  33          HG23      VAL  33  -0.109   3.637  -1.076
  235    H    LEU  34           HN       LEU  34  -5.524   2.443   0.657
  236    HA   LEU  34           HA       LEU  34  -6.492   2.411  -2.095
  237    HB2  LEU  34           HB2      LEU  34  -7.584   0.952  -0.441
  238    HB3  LEU  34           HB1      LEU  34  -7.996   2.354   0.524
  239    HG   LEU  34           HG       LEU  34  -9.291   3.127  -1.593
  240   HD11  LEU  34          HD11      LEU  34  -9.092   0.160  -2.087
  241   HD12  LEU  34          HD12      LEU  34  -8.390   1.429  -3.092
  242   HD13  LEU  34          HD13      LEU  34 -10.142   1.287  -2.947
  243   HD21  LEU  34          HD21      LEU  34 -11.268   1.893  -0.833
  244   HD22  LEU  34          HD22      LEU  34 -10.337   2.540   0.518
  245   HD23  LEU  34          HD23      LEU  34 -10.232   0.825   0.116
  246    H    VAL  35           HN       VAL  35  -7.006   4.214  -3.107
  247    HA   VAL  35           HA       VAL  35  -7.105   6.701  -1.628
  248    HB   VAL  35           HB       VAL  35  -7.644   6.210  -4.571
  249   HG11  VAL  35          HG11      VAL  35  -7.072   8.757  -3.054
  250   HG12  VAL  35          HG12      VAL  35  -8.618   8.293  -3.765
  251   HG13  VAL  35          HG13      VAL  35  -7.232   8.622  -4.805
  252   HG21  VAL  35          HG21      VAL  35  -5.386   5.534  -3.962
  253   HG22  VAL  35          HG22      VAL  35  -5.117   7.091  -3.179
  254   HG23  VAL  35          HG23      VAL  35  -5.352   7.012  -4.926
  255    H    ARG  36           HN       ARG  36  -8.840   6.641  -0.347
  256    HA   ARG  36           HA       ARG  36 -11.200   5.273  -0.905
  257    HB2  ARG  36           HB2      ARG  36 -10.299   6.039   1.365
  258    HB3  ARG  36           HB1      ARG  36 -11.032   7.593   1.005
  259    HG2  ARG  36           HG2      ARG  36 -12.464   6.196   2.408
  260    HG3  ARG  36           HG1      ARG  36 -13.216   6.572   0.856
  261    HD2  ARG  36           HD2      ARG  36 -12.352   4.349   0.033
  262    HD3  ARG  36           HD1      ARG  36 -11.921   3.989   1.705
  263    HE   ARG  36           HE       ARG  36 -14.428   4.497   2.104
  264   HH11  ARG  36          HH11      ARG  36 -13.066   2.796  -0.647
  265   HH12  ARG  36          HH12      ARG  36 -14.544   1.955  -1.013
  266   HH21  ARG  36          HH21      ARG  36 -16.341   3.375   1.626
  267   HH22  ARG  36          HH22      ARG  36 -16.394   2.284   0.271
  268    H    GLU  37           HN       GLU  37 -13.299   6.052  -1.293
  269    HA   GLU  37           HA       GLU  37 -13.303   7.461  -3.696
  270    HB2  GLU  37           HB2      GLU  37 -14.867   5.730  -3.274
  271    HB3  GLU  37           HB1      GLU  37 -15.526   6.565  -1.875
  272    HG2  GLU  37           HG2      GLU  37 -16.351   8.335  -3.397
  273    HG3  GLU  37           HG1      GLU  37 -15.792   7.367  -4.763
  274    H    GLU  38           HN       GLU  38 -15.226   8.387  -0.837
  275    HA   GLU  38           HA       GLU  38 -16.413  10.336  -0.545
  276    HB2  GLU  38           HB2      GLU  38 -13.739  10.610   0.147
  277    HB3  GLU  38           HB1      GLU  38 -14.060  12.049  -0.810
  278    HG2  GLU  38           HG2      GLU  38 -15.384  11.168   1.733
  279    HG3  GLU  38           HG1      GLU  38 -14.483  12.650   1.416
  280    H    GLY  39           HN       GLY  39 -17.353  10.058  -2.742
  281    HA2  GLY  39           HA2      GLY  39 -18.210  11.270  -4.532
  282    HA3  GLY  39           HA1      GLY  39 -16.955  12.474  -4.289
  283    H    ARG  40           HN       ARG  40 -14.736  10.598  -4.413
  284    HA   ARG  40           HA       ARG  40 -14.505  10.593  -7.279
  285    HB2  ARG  40           HB2      ARG  40 -12.693  11.417  -5.866
  286    HB3  ARG  40           HB1      ARG  40 -12.531   9.841  -5.117
  287    HG2  ARG  40           HG2      ARG  40 -11.990   8.951  -7.414
  288    HG3  ARG  40           HG1      ARG  40 -11.880  10.636  -7.932
  289    HD2  ARG  40           HD2      ARG  40 -10.212  11.018  -6.130
  290    HD3  ARG  40           HD1      ARG  40 -10.258   9.292  -5.777
  291    HE   ARG  40           HE       ARG  40  -9.649   9.379  -8.426
  292   HH11  ARG  40          HH11      ARG  40  -8.275  10.918  -5.600
  293   HH12  ARG  40          HH12      ARG  40  -6.659  10.944  -6.234
  294   HH21  ARG  40          HH21      ARG  40  -7.535   9.411  -9.272
  295   HH22  ARG  40          HH22      ARG  40  -6.236  10.090  -8.338
  296    H    HIS  41           HN       HIS  41 -12.909   8.053  -5.478
  297    HA   HIS  41           HA       HIS  41 -14.577   5.883  -5.899
  298    HB2  HIS  41           HB2      HIS  41 -14.421   6.373  -8.288
  299    HB3  HIS  41           HB1      HIS  41 -12.664   6.351  -8.205
  300    HD1  HIS  41           HD1      HIS  41 -15.612   3.991  -7.763
  301    HD2  HIS  41           HD2      HIS  41 -11.546   3.902  -8.662
  302    HE1  HIS  41           HE1      HIS  41 -15.105   1.605  -8.389
  303    HE2  HIS  41           HE2      HIS  41 -12.627   1.551  -8.852
  304    HA   PRO  42           HA       PRO  42 -11.124   4.381  -3.528
  305    HB2  PRO  42           HB2      PRO  42 -11.952   1.824  -3.184
  306    HB3  PRO  42           HB1      PRO  42 -12.665   3.183  -2.308
  307    HG2  PRO  42           HG2      PRO  42 -13.674   1.754  -4.733
  308    HG3  PRO  42           HG1      PRO  42 -14.570   2.308  -3.307
  309    HD2  PRO  42           HD2      PRO  42 -14.543   3.668  -5.663
  310    HD3  PRO  42           HD1      PRO  42 -14.723   4.468  -4.088
  311    H    GLN  43           HN       GLN  43  -9.324   4.296  -4.769
  312    HA   GLN  43           HA       GLN  43  -9.082   2.092  -6.708
  313    HB2  GLN  43           HB2      GLN  43  -7.337   4.546  -6.379
  314    HB3  GLN  43           HB1      GLN  43  -7.203   3.341  -7.654
  315    HG2  GLN  43           HG2      GLN  43  -9.418   3.964  -8.476
  316    HG3  GLN  43           HG1      GLN  43  -9.551   5.169  -7.197
  317   HE21  GLN  43          HE21      GLN  43  -8.043   4.338 -10.211
  318   HE22  GLN  43          HE22      GLN  43  -7.392   5.912 -10.547
  319    H    GLU  44           HN       GLU  44  -7.932   0.362  -6.123
  320    HA   GLU  44           HA       GLU  44  -6.494   0.478  -3.601
  321    HB2  GLU  44           HB2      GLU  44  -6.347  -2.135  -4.299
  322    HB3  GLU  44           HB1      GLU  44  -7.654  -1.421  -3.371
  323    HG2  GLU  44           HG2      GLU  44  -8.591  -2.807  -5.057
  324    HG3  GLU  44           HG1      GLU  44  -8.925  -1.131  -5.477
  325    H    HIS  45           HN       HIS  45  -4.541   1.346  -3.903
  326    HA   HIS  45           HA       HIS  45  -2.864   0.255  -6.046
  327    HB2  HIS  45           HB2      HIS  45  -2.546   2.772  -4.398
  328    HB3  HIS  45           HB1      HIS  45  -1.410   2.243  -5.617
  329    HD1  HIS  45           HD1      HIS  45  -2.562   4.939  -6.056
  330    HD2  HIS  45           HD2      HIS  45  -4.463   1.504  -7.406
  331    HE1  HIS  45           HE1      HIS  45  -4.096   5.699  -7.890
  332    HE2  HIS  45           HE2      HIS  45  -5.049   3.573  -8.843
  333    H    ARG  46           HN       ARG  46  -1.355  -1.194  -5.565
  334    HA   ARG  46           HA       ARG  46  -0.477  -1.525  -2.757
  335    HB2  ARG  46           HB2      ARG  46  -0.667  -4.026  -4.233
  336    HB3  ARG  46           HB1      ARG  46  -1.327  -3.607  -2.661
  337    HG2  ARG  46           HG2      ARG  46  -3.369  -3.108  -3.484
  338    HG3  ARG  46           HG1      ARG  46  -2.735  -2.514  -5.018
  339    HD2  ARG  46           HD2      ARG  46  -2.291  -4.814  -5.719
  340    HD3  ARG  46           HD1      ARG  46  -2.927  -5.409  -4.188
  341    HE   ARG  46           HE       ARG  46  -4.714  -3.767  -5.794
  342   HH11  ARG  46          HH11      ARG  46  -3.727  -6.981  -4.821
  343   HH12  ARG  46          HH12      ARG  46  -5.200  -7.740  -5.349
  344   HH21  ARG  46          HH21      ARG  46  -6.652  -4.723  -6.474
  345   HH22  ARG  46          HH22      ARG  46  -6.885  -6.439  -6.264
  346    H    GLY  47           HN       GLY  47   1.674  -2.608  -2.541
  347    HA2  GLY  47           HA2      GLY  47   3.219  -3.834  -4.355
  348    HA3  GLY  47           HA1      GLY  47   3.329  -2.178  -4.920
  349    H    CYS  48           HN       CYS  48   5.602  -2.126  -4.538
  350    HA   CYS  48           HA       CYS  48   6.608  -2.805  -1.922
  351    HB2  CYS  48           HB2      CYS  48   8.749  -2.695  -2.899
  352    HB3  CYS  48           HB1      CYS  48   7.752  -3.242  -4.237
  353    H    GLY  49           HN       GLY  49   6.833  -1.315  -0.309
  354    HA2  GLY  49           HA2      GLY  49   6.137   1.404  -0.636
  355    HA3  GLY  49           HA1      GLY  49   7.036   0.746   0.734
  356    H    ASN  50           HN       ASN  50   9.088  -0.309  -1.028
  357    HA   ASN  50           HA       ASN  50  11.081   0.169  -1.956
  358    HB2  ASN  50           HB2      ASN  50   9.422   1.311  -3.620
  359    HB3  ASN  50           HB1      ASN  50  10.061   2.810  -2.950
  360   HD21  ASN  50          HD21      ASN  50  10.700   0.036  -4.893
  361   HD22  ASN  50          HD22      ASN  50  12.226   0.554  -5.514
  362    H    LEU  51           HN       LEU  51  10.238   3.552  -1.422
  363    HA   LEU  51           HA       LEU  51  12.274   3.656   0.699
  364    HB2  LEU  51           HB2      LEU  51  11.866   5.680  -1.507
  365    HB3  LEU  51           HB1      LEU  51  12.982   5.844  -0.163
  366    HG   LEU  51           HG       LEU  51  13.153   3.677  -2.253
  367   HD11  LEU  51          HD11      LEU  51  15.069   4.927  -3.115
  368   HD12  LEU  51          HD12      LEU  51  14.739   6.225  -1.967
  369   HD13  LEU  51          HD13      LEU  51  13.577   5.861  -3.242
  370   HD21  LEU  51          HD21      LEU  51  15.039   4.540  -0.069
  371   HD22  LEU  51          HD22      LEU  51  15.371   3.309  -1.289
  372   HD23  LEU  51          HD23      LEU  51  14.091   3.054  -0.102
  373    H    HIS  52           HN       HIS  52   9.102   4.083  -0.037
  374    HA   HIS  52           HA       HIS  52   8.763   6.542   1.509
  375    HB2  HIS  52           HB2      HIS  52   6.785   4.931  -0.117
  376    HB3  HIS  52           HB1      HIS  52   6.372   6.377   0.797
  377    HD1  HIS  52           HD1      HIS  52   7.136   8.652  -0.156
  378    HD2  HIS  52           HD2      HIS  52   8.190   5.376  -2.500
  379    HE1  HIS  52           HE1      HIS  52   7.860   9.597  -2.373
  380    HE2  HIS  52           HE2      HIS  52   8.285   7.587  -3.836
  381    H    ARG  53           HN       ARG  53   8.827   6.188   3.609
  382    HA   ARG  53           HA       ARG  53   7.612   3.802   4.773
  383    HB2  ARG  53           HB2      ARG  53   9.861   5.107   5.415
  384    HB3  ARG  53           HB1      ARG  53   8.750   6.001   6.441
  385    HG2  ARG  53           HG2      ARG  53   8.859   3.009   6.509
  386    HG3  ARG  53           HG1      ARG  53   9.990   3.993   7.434
  387    HD2  ARG  53           HD2      ARG  53   6.991   4.193   7.625
  388    HD3  ARG  53           HD1      ARG  53   8.001   3.256   8.725
  389    HE   ARG  53           HE       ARG  53   8.611   6.102   8.444
  390   HH11  ARG  53          HH11      ARG  53   7.132   3.540  10.312
  391   HH12  ARG  53          HH12      ARG  53   7.082   4.458  11.786
  392   HH21  ARG  53          HH21      ARG  53   8.555   7.315  10.382
  393   HH22  ARG  53          HH22      ARG  53   7.908   6.602  11.830
  394    H    GLU  54           HN       GLU  54   6.827   6.968   3.986
  395    HA   GLU  54           HA       GLU  54   5.043   7.801   5.950
  396    HB2  GLU  54           HB2      GLU  54   4.053   9.185   4.142
  397    HB3  GLU  54           HB1      GLU  54   5.808   9.274   4.194
  398    HG2  GLU  54           HG2      GLU  54   5.747   7.439   2.393
  399    HG3  GLU  54           HG1      GLU  54   4.054   7.886   2.205
  400    H    LEU  55           HN       LEU  55   4.605   5.529   3.319
  401    HA   LEU  55           HA       LEU  55   1.749   5.379   3.575
  402    HB2  LEU  55           HB2      LEU  55   3.684   3.582   2.111
  403    HB3  LEU  55           HB1      LEU  55   1.938   3.541   1.950
  404    HG   LEU  55           HG       LEU  55   3.715   5.860   1.175
  405   HD11  LEU  55          HD11      LEU  55   3.968   3.954  -0.317
  406   HD12  LEU  55          HD12      LEU  55   3.101   5.268  -1.114
  407   HD13  LEU  55          HD13      LEU  55   2.217   3.866  -0.515
  408   HD21  LEU  55          HD21      LEU  55   1.698   6.820   0.201
  409   HD22  LEU  55          HD22      LEU  55   1.507   6.587   1.939
  410   HD23  LEU  55          HD23      LEU  55   0.747   5.465   0.810
  411    H    CYS  56           HN       CYS  56   3.996   4.477   5.644
  412    HA   CYS  56           HA       CYS  56   2.397   2.232   6.648
  413    HB2  CYS  56           HB2      CYS  56   4.466   1.336   5.622
  414    HB3  CYS  56           HB1      CYS  56   5.427   2.393   6.647
  415    H    ARG  57           HN       ARG  57   1.999   4.846   7.315
  416    HA   ARG  57           HA       ARG  57   2.331   4.868  10.100
  417    HB2  ARG  57           HB2      ARG  57   3.851   6.719  10.448
  418    HB3  ARG  57           HB1      ARG  57   4.671   5.431   9.582
  419    HG2  ARG  57           HG2      ARG  57   4.620   6.637   7.552
  420    HG3  ARG  57           HG1      ARG  57   3.482   7.818   8.201
  421    HD2  ARG  57           HD2      ARG  57   6.335   7.408   9.088
  422    HD3  ARG  57           HD1      ARG  57   5.725   8.754   8.124
  423    HE   ARG  57           HE       ARG  57   5.087   8.241  10.964
  424   HH11  ARG  57          HH11      ARG  57   5.304  10.397   8.215
  425   HH12  ARG  57          HH12      ARG  57   4.883  11.817   9.117
  426   HH21  ARG  57          HH21      ARG  57   4.551  10.104  12.179
  427   HH22  ARG  57          HH22      ARG  57   4.456  11.655  11.391
  428    H    GLY  58           HN       GLY  58   1.689   6.699   7.157
  429    HA2  GLY  58           HA2      GLY  58  -0.683   7.429   7.107
  430    HA3  GLY  58           HA1      GLY  58  -0.399   8.115   8.694
  431    H    ARG  59           HN       ARG  59  -0.555   8.749   5.435
  432    HA   ARG  59           HA       ARG  59   0.960  11.219   5.561
  433    HB2  ARG  59           HB2      ARG  59  -0.074  11.587   3.270
  434    HB3  ARG  59           HB1      ARG  59   0.993  10.211   3.422
  435    HG2  ARG  59           HG2      ARG  59  -0.869   8.697   3.514
  436    HG3  ARG  59           HG1      ARG  59  -2.002  10.050   3.533
  437    HD2  ARG  59           HD2      ARG  59  -0.045   9.655   1.287
  438    HD3  ARG  59           HD1      ARG  59  -1.613   8.850   1.300
  439    HE   ARG  59           HE       ARG  59  -2.528  11.215   1.539
  440   HH11  ARG  59          HH11      ARG  59   0.487  10.541  -0.132
  441   HH12  ARG  59          HH12      ARG  59   0.295  11.854  -1.261
  442   HH21  ARG  59          HH21      ARG  59  -2.784  12.926   0.055
  443   HH22  ARG  59          HH22      ARG  59  -1.577  13.188  -1.171
  444    HA   PRO  60           HA       PRO  60  -2.392  13.964   6.702
  445    HB2  PRO  60           HB2      PRO  60  -1.726  15.614   4.334
  446    HB3  PRO  60           HB1      PRO  60  -1.777  16.066   6.041
  447    HG2  PRO  60           HG2      PRO  60   0.547  15.773   4.762
  448    HG3  PRO  60           HG1      PRO  60   0.356  15.273   6.454
  449    HD2  PRO  60           HD2      PRO  60   0.409  13.600   3.973
  450    HD3  PRO  60           HD1      PRO  60   1.115  13.274   5.570
  451    H    THR  61           HN       THR  61  -3.856  12.290   6.021
  452    HA   THR  61           HA       THR  61  -5.653  13.096   3.933
  453    HB   THR  61           HB       THR  61  -4.376  10.351   3.802
  454    HG1  THR  61           HG1      THR  61  -3.771  12.781   2.570
  455   HG21  THR  61          HG21      THR  61  -6.674  10.367   3.012
  456   HG22  THR  61          HG22      THR  61  -5.561  10.183   1.656
  457   HG23  THR  61          HG23      THR  61  -6.324  11.744   1.963
  458    H    GLU  62           HN       GLU  62  -4.689  10.652   6.324
  459    HA   GLU  62           HA       GLU  62  -5.757   9.948   8.200
  460    HB2  GLU  62           HB2      GLU  62  -8.055  11.674   7.272
  461    HB3  GLU  62           HB1      GLU  62  -7.951  10.871   8.833
  462    HG2  GLU  62           HG2      GLU  62  -6.117  12.224   9.498
  463    HG3  GLU  62           HG1      GLU  62  -5.936  12.885   7.874
  464    H    PHE  63           HN       PHE  63  -8.139  10.108   5.539
  465    HA   PHE  63           HA       PHE  63  -9.262   7.571   6.441
  466    HB2  PHE  63           HB2      PHE  63 -10.974   8.073   4.614
  467    HB3  PHE  63           HB1      PHE  63 -10.936   9.183   5.978
  468    HD1  PHE  63           HD1      PHE  63 -10.120  11.443   5.718
  469    HD2  PHE  63           HD2      PHE  63 -10.276   8.780   2.407
  470    HE1  PHE  63           HE1      PHE  63  -9.797  13.337   4.189
  471    HE2  PHE  63           HE2      PHE  63  -9.969  10.674   0.868
  472    HZ   PHE  63           HZ       PHE  63  -9.735  12.955   1.757
  473    H    VAL  64           HN       VAL  64  -6.619   7.560   5.258
  474    HA   VAL  64           HA       VAL  64  -7.162   6.058   2.793
  475    HB   VAL  64           HB       VAL  64  -5.847   8.059   2.312
  476   HG11  VAL  64          HG11      VAL  64  -3.598   8.366   3.235
  477   HG12  VAL  64          HG12      VAL  64  -3.860   6.992   4.309
  478   HG13  VAL  64          HG13      VAL  64  -4.845   8.446   4.479
  479   HG21  VAL  64          HG21      VAL  64  -5.390   6.080   0.991
  480   HG22  VAL  64          HG22      VAL  64  -4.194   5.542   2.170
  481   HG23  VAL  64          HG23      VAL  64  -3.910   7.008   1.233
  482    H    ASN  65           HN       ASN  65  -6.578   3.972   2.785
  483    HA   ASN  65           HA       ASN  65  -5.674   2.896   5.311
  484    HB2  ASN  65           HB2      ASN  65  -5.974   0.707   3.659
  485    HB3  ASN  65           HB1      ASN  65  -7.178   1.316   4.791
  486   HD21  ASN  65          HD21      ASN  65  -7.652  -0.207   2.510
  487   HD22  ASN  65          HD22      ASN  65  -8.540   0.744   1.371
  488    H    HIS  66           HN       HIS  66  -3.592   3.232   5.502
  489    HA   HIS  66           HA       HIS  66  -1.817   2.355   3.354
  490    HB2  HIS  66           HB2      HIS  66  -0.071   3.603   4.630
  491    HB3  HIS  66           HB1      HIS  66  -1.413   4.616   4.116
  492    HD1  HIS  66           HD1      HIS  66  -3.230   5.171   6.070
  493    HD2  HIS  66           HD2      HIS  66   0.460   3.695   7.306
  494    HE1  HIS  66           HE1      HIS  66  -3.078   5.699   8.521
  495    HE2  HIS  66           HE2      HIS  66  -0.965   4.567   9.288
  496    H    TYR  67           HN       TYR  67  -1.802   0.157   3.609
  497    HA   TYR  67           HA       TYR  67  -1.094  -0.871   6.281
  498    HB2  TYR  67           HB2      TYR  67  -3.134  -1.846   5.311
  499    HB3  TYR  67           HB1      TYR  67  -2.218  -2.367   3.897
  500    HD1  TYR  67           HD1      TYR  67  -2.305  -2.768   7.610
  501    HD2  TYR  67           HD2      TYR  67  -1.307  -4.497   3.850
  502    HE1  TYR  67           HE1      TYR  67  -1.781  -4.894   8.731
  503    HE2  TYR  67           HE2      TYR  67  -0.779  -6.626   4.961
  504    HH   TYR  67           HH       TYR  67  -1.592  -7.248   8.234
  505    H    CYS  68           HN       CYS  68   0.684  -2.161   6.578
  506    HA   CYS  68           HA       CYS  68   2.445  -2.520   4.276
  507    HB2  CYS  68           HB2      CYS  68   4.357  -1.900   5.938
  508    HB3  CYS  68           HB1      CYS  68   3.469  -0.622   5.117
  509    H    CYS  69           HN       CYS  69   3.621  -4.327   4.274
  510    HA   CYS  69           HA       CYS  69   3.800  -5.989   6.642
  511    HB2  CYS  69           HB2      CYS  69   2.926  -7.975   5.242
  512    HB3  CYS  69           HB1      CYS  69   1.747  -6.861   5.924
  513    H    ASP  70           HN       ASP  70   5.531  -7.342   6.599
  514    HA   ASP  70           HA       ASP  70   7.514  -6.619   4.589
  515    HB2  ASP  70           HB2      ASP  70   9.115  -7.548   6.242
  516    HB3  ASP  70           HB1      ASP  70   8.098  -6.278   6.917
  517    H    SER  71           HN       SER  71   5.530  -8.538   3.764
  518    HA   SER  71           HA       SER  71   7.191 -10.955   3.558
  519    HB2  SER  71           HB2      SER  71   4.164 -10.932   3.552
  520    HB3  SER  71           HB1      SER  71   5.229 -12.331   3.674
  521    HG   SER  71           HG       SER  71   5.948 -11.444   5.711
  522    H    HIS  72           HN       HIS  72   7.467 -11.783   1.547
  523    HA   HIS  72           HA       HIS  72   7.091 -10.205  -0.700
  524    HB2  HIS  72           HB2      HIS  72   7.753 -12.150  -2.011
  525    HB3  HIS  72           HB1      HIS  72   8.736 -12.052  -0.558
  526    HD1  HIS  72           HD1      HIS  72   8.785 -14.090   0.924
  527    HD2  HIS  72           HD2      HIS  72   5.765 -14.266  -1.931
  528    HE1  HIS  72           HE1      HIS  72   7.784 -16.385   1.128
  529    HE2  HIS  72           HE2      HIS  72   5.818 -16.377  -0.445
  530    H    LEU  73           HN       LEU  73   5.484  -9.927  -2.116
  531    HA   LEU  73           HA       LEU  73   3.498 -10.093  -3.204
  532    HB2  LEU  73           HB2      LEU  73   3.634 -13.018  -2.466
  533    HB3  LEU  73           HB1      LEU  73   2.658 -12.310  -3.738
  534    HG   LEU  73           HG       LEU  73   5.656 -12.577  -3.660
  535   HD11  LEU  73          HD11      LEU  73   4.440 -14.568  -4.337
  536   HD12  LEU  73          HD12      LEU  73   5.309 -13.868  -5.703
  537   HD13  LEU  73          HD13      LEU  73   3.566 -13.639  -5.554
  538   HD21  LEU  73          HD21      LEU  73   5.110 -10.375  -4.524
  539   HD22  LEU  73          HD22      LEU  73   3.960 -11.083  -5.660
  540   HD23  LEU  73          HD23      LEU  73   5.685 -11.423  -5.818
  541    H    CYS  74           HN       CYS  74   3.404  -9.295  -0.560
  542    HA   CYS  74           HA       CYS  74   1.281 -10.704   0.801
  543    HB2  CYS  74           HB2      CYS  74   2.969  -9.793   2.219
  544    HB3  CYS  74           HB1      CYS  74   2.865  -8.217   1.445
  545    H    ASN  75           HN       ASN  75   1.766  -7.841  -1.114
  546    HA   ASN  75           HA       ASN  75  -0.947  -6.919  -0.744
  547    HB2  ASN  75           HB2      ASN  75   1.143  -5.994  -2.723
  548    HB3  ASN  75           HB1      ASN  75  -0.385  -5.200  -2.392
  549   HD21  ASN  75          HD21      ASN  75   0.009  -5.953   0.531
  550   HD22  ASN  75          HD22      ASN  75   1.098  -4.742   1.110
  551    H    HIS  76           HN       HIS  76   0.151  -9.527  -2.183
  552    HA   HIS  76           HA       HIS  76  -0.988  -9.294  -4.793
  553    HB2  HIS  76           HB2      HIS  76   0.817 -10.891  -4.394
  554    HB3  HIS  76           HB1      HIS  76  -0.177 -11.750  -3.222
  555    HD1  HIS  76           HD1      HIS  76   0.232 -11.215  -6.916
  556    HD2  HIS  76           HD2      HIS  76  -2.031 -13.523  -4.301
  557    HE1  HIS  76           HE1      HIS  76  -0.911 -12.940  -8.347
  558    HE2  HIS  76           HE2      HIS  76  -2.138 -14.424  -6.723
  559    H    ASN  77           HN       ASN  77  -1.939 -10.474  -1.669
  560    HA   ASN  77           HA       ASN  77  -4.732 -10.460  -2.511
  561    HB2  ASN  77           HB2      ASN  77  -5.027 -12.497  -0.937
  562    HB3  ASN  77           HB1      ASN  77  -4.381 -12.778  -2.547
  563   HD21  ASN  77          HD21      ASN  77  -3.683 -12.722   0.850
  564   HD22  ASN  77          HD22      ASN  77  -2.153 -13.531   0.754
  565    H    VAL  78           HN       VAL  78  -4.802  -8.436  -1.504
  566    HA   VAL  78           HA       VAL  78  -4.574  -8.490   1.432
  567    HB   VAL  78           HB       VAL  78  -2.736  -7.200   0.296
  568   HG11  VAL  78          HG11      VAL  78  -3.997  -6.373  -1.602
  569   HG12  VAL  78          HG12      VAL  78  -3.289  -5.033  -0.700
  570   HG13  VAL  78          HG13      VAL  78  -5.005  -5.400  -0.532
  571   HG21  VAL  78          HG21      VAL  78  -2.884  -5.239   1.736
  572   HG22  VAL  78          HG22      VAL  78  -3.379  -6.698   2.595
  573   HG23  VAL  78          HG23      VAL  78  -4.596  -5.561   2.012
  574    H    SER  79           HN       SER  79  -5.929  -6.845   2.504
  575    HA   SER  79           HA       SER  79  -8.454  -6.432   1.086
  576    HB2  SER  79           HB2      SER  79  -7.804  -6.075   4.019
  577    HB3  SER  79           HB1      SER  79  -9.408  -6.020   3.291
  578    HG   SER  79           HG       SER  79  -7.662  -8.263   3.351
  579    H    LEU  80           HN       LEU  80  -8.588  -4.543   0.050
  580    HA   LEU  80           HA       LEU  80  -7.782  -2.167   1.560
  581    HB2  LEU  80           HB2      LEU  80  -7.499  -2.763  -1.332
  582    HB3  LEU  80           HB1      LEU  80  -7.868  -1.114  -0.863
  583    HG   LEU  80           HG       LEU  80  -5.422  -2.732  -0.218
  584   HD11  LEU  80          HD11      LEU  80  -5.662   0.085  -1.207
  585   HD12  LEU  80          HD12      LEU  80  -5.663  -1.300  -2.301
  586   HD13  LEU  80          HD13      LEU  80  -4.266  -0.988  -1.273
  587   HD21  LEU  80          HD21      LEU  80  -6.002  -1.805   1.886
  588   HD22  LEU  80          HD22      LEU  80  -6.458  -0.266   1.156
  589   HD23  LEU  80          HD23      LEU  80  -4.764  -0.755   1.194
  590    H    VAL  81           HN       VAL  81  -9.747  -2.235   2.562
  591    HA   VAL  81           HA       VAL  81 -11.825  -0.861   1.109
  592    HB   VAL  81           HB       VAL  81 -12.183  -3.323   0.778
  593   HG11  VAL  81          HG11      VAL  81 -13.181  -4.602   2.619
  594   HG12  VAL  81          HG12      VAL  81 -12.821  -3.269   3.718
  595   HG13  VAL  81          HG13      VAL  81 -11.507  -4.152   2.942
  596   HG21  VAL  81          HG21      VAL  81 -14.321  -1.762   2.187
  597   HG22  VAL  81          HG22      VAL  81 -14.593  -3.188   1.186
  598   HG23  VAL  81          HG23      VAL  81 -13.945  -1.714   0.467
  599    H    LEU  82           HN       LEU  82  -9.925  -0.522   3.335
  600    HA   LEU  82           HA       LEU  82 -10.956  -0.392   5.858
  601    HB2  LEU  82           HB2      LEU  82  -8.679   0.350   5.033
  602    HB3  LEU  82           HB1      LEU  82  -9.424   1.855   4.547
  603    HG   LEU  82           HG       LEU  82  -8.138   1.886   6.711
  604   HD11  LEU  82          HD11      LEU  82  -9.726   3.642   6.126
  605   HD12  LEU  82          HD12      LEU  82  -9.742   3.313   7.860
  606   HD13  LEU  82          HD13      LEU  82 -11.036   2.697   6.833
  607   HD21  LEU  82          HD21      LEU  82 -10.523   0.328   7.691
  608   HD22  LEU  82          HD22      LEU  82  -9.254   1.021   8.700
  609   HD23  LEU  82          HD23      LEU  82  -8.869  -0.273   7.566
  610    H    GLU  83           HN       GLU  83 -12.966   0.130   6.313
  611    HA   GLU  83           HA       GLU  83 -14.166   2.603   6.060
  612    HB2  GLU  83           HB2      GLU  83 -14.006   2.191   3.631
  613    HB3  GLU  83           HB1      GLU  83 -14.870   0.675   3.851
  614    HG2  GLU  83           HG2      GLU  83 -16.422   2.247   3.001
  615    HG3  GLU  83           HG1      GLU  83 -16.819   1.986   4.698
  616    H    ALA  84           HN       ALA  84 -14.816  -0.706   5.499
  617    HA   ALA  84           HA       ALA  84 -16.152  -1.154   7.985
  618    HB1  ALA  84           HB1      ALA  84 -18.322  -1.824   7.045
  619    HB2  ALA  84           HB2      ALA  84 -17.799  -1.275   5.452
  620    HB3  ALA  84           HB3      ALA  84 -18.002  -0.113   6.764
  621    H    THR  85           HN       THR  85 -16.944  -3.500   8.050
  622    HA   THR  85           HA       THR  85 -14.874  -5.155   6.971
  623    HB   THR  85           HB       THR  85 -16.336  -7.014   8.029
  624    HG1  THR  85           HG1      THR  85 -18.170  -6.382   8.857
  625   HG21  THR  85          HG21      THR  85 -15.537  -6.426  10.282
  626   HG22  THR  85          HG22      THR  85 -15.186  -4.791   9.719
  627   HG23  THR  85          HG23      THR  85 -14.298  -6.164   9.055
  628    H    GLN  86           HN       GLN  86 -15.622  -4.356   4.751
  629    HA   GLN  86           HA       GLN  86 -17.726  -5.778   3.460
  630    HB2  GLN  86           HB2      GLN  86 -15.290  -4.320   2.387
  631    HB3  GLN  86           HB1      GLN  86 -16.587  -4.962   1.374
  632    HG2  GLN  86           HG2      GLN  86 -16.861  -2.833   3.490
  633    HG3  GLN  86           HG1      GLN  86 -16.887  -2.586   1.745
  634   HE21  GLN  86          HE21      GLN  86 -18.649  -3.745   4.504
  635   HE22  GLN  86          HE22      GLN  86 -20.188  -3.860   3.723
  636    HA   PRO  87           HA       PRO  87 -15.399  -9.436   2.480
  637    HB2  PRO  87           HB2      PRO  87 -16.415 -10.166   0.057
  638    HB3  PRO  87           HB1      PRO  87 -17.299 -10.299   1.578
  639    HG2  PRO  87           HG2      PRO  87 -17.752  -8.493  -0.658
  640    HG3  PRO  87           HG1      PRO  87 -18.790  -8.826   0.736
  641    HD2  PRO  87           HD2      PRO  87 -16.998  -6.580   0.275
  642    HD3  PRO  87           HD1      PRO  87 -18.218  -6.793   1.545
  643    HA   PRO  88           HA       PRO  88 -12.143  -8.224  -0.474
  644    HB2  PRO  88           HB2      PRO  88 -10.082  -8.238   1.226
  645    HB3  PRO  88           HB1      PRO  88 -11.189  -6.864   1.145
  646    HG2  PRO  88           HG2      PRO  88 -10.958  -8.977   3.211
  647    HG3  PRO  88           HG1      PRO  88 -11.510  -7.302   3.373
  648    HD2  PRO  88           HD2      PRO  88 -13.098  -9.633   3.138
  649    HD3  PRO  88           HD1      PRO  88 -13.636  -7.951   3.177
  650    H    SER  89           HN       SER  89  -9.705  -9.439  -0.295
  651    HA   SER  89           HA       SER  89 -10.381 -12.226  -0.691
  652    HB2  SER  89           HB2      SER  89  -7.892 -12.316  -1.368
  653    HB3  SER  89           HB1      SER  89  -8.988 -11.382  -2.388
  654    HG   SER  89           HG       SER  89  -7.554  -9.868  -2.056
  655    H    GLU  90           HN       GLU  90  -7.458 -10.878   0.822
  656    HA   GLU  90           HA       GLU  90  -7.811 -12.795   3.034
  657    HB2  GLU  90           HB2      GLU  90  -5.749 -13.119   1.755
  658    HB3  GLU  90           HB1      GLU  90  -5.308 -11.437   2.003
  659    HG2  GLU  90           HG2      GLU  90  -4.015 -12.741   3.496
  660    HG3  GLU  90           HG1      GLU  90  -5.231 -11.900   4.455
  661    H    GLN  91           HN       GLN  91  -8.931 -11.719   4.556
  662    HA   GLN  91           HA       GLN  91  -8.315  -8.929   5.107
  663    HB2  GLN  91           HB2      GLN  91 -10.648  -9.485   4.941
  664    HB3  GLN  91           HB1      GLN  91 -10.476 -10.774   6.121
  665    HG2  GLN  91           HG2      GLN  91 -10.244  -9.268   7.897
  666    HG3  GLN  91           HG1      GLN  91  -9.929  -7.910   6.815
  667   HE21  GLN  91          HE21      GLN  91 -11.611  -6.810   5.914
  668   HE22  GLN  91          HE22      GLN  91 -13.272  -7.125   6.299
  669    HA   PRO  92           HA       PRO  92  -5.695 -10.497   8.376
  670    HB2  PRO  92           HB2      PRO  92  -4.045  -8.410   8.505
  671    HB3  PRO  92           HB1      PRO  92  -4.030  -9.498   7.110
  672    HG2  PRO  92           HG2      PRO  92  -5.206  -6.769   7.376
  673    HG3  PRO  92           HG1      PRO  92  -4.400  -7.517   5.986
  674    HD2  PRO  92           HD2      PRO  92  -7.171  -7.312   6.374
  675    HD3  PRO  92           HD1      PRO  92  -6.355  -8.363   5.201
  676    H    GLY  93           HN       GLY  93  -8.101  -8.246   8.572
  677    HA2  GLY  93           HA2      GLY  93  -8.300  -8.259  11.338
  678    HA3  GLY  93           HA1      GLY  93  -7.442  -6.787  10.897
  679    H    THR  94           HN       THR  94  -9.918  -6.691  12.145
  680    HA   THR  94           HA       THR  94 -12.082  -6.465  10.347
  681    HB   THR  94           HB       THR  94 -12.962  -4.885  12.250
  682    HG1  THR  94           HG1      THR  94 -10.880  -4.617  13.217
  683   HG21  THR  94          HG21      THR  94 -13.770  -7.153  11.855
  684   HG22  THR  94          HG22      THR  94 -13.571  -6.860  13.584
  685   HG23  THR  94          HG23      THR  94 -12.373  -7.811  12.708
  686    H    ASP  95           HN       ASP  95 -11.767  -5.218   8.580
  687    HA   ASP  95           HA       ASP  95 -10.521  -2.721   8.461
  688    HB2  ASP  95           HB2      ASP  95 -12.650  -3.986   6.739
  689    HB3  ASP  95           HB1      ASP  95 -12.015  -2.382   6.399
  690    H    GLY  96           HN       GLY  96 -11.051  -0.967   9.548
  691    HA2  GLY  96           HA2      GLY  96 -13.816  -0.036   9.504
  692    HA3  GLY  96           HA1      GLY  96 -13.074  -0.263  11.085
  693    H    GLN  97           HN       GLN  97 -13.936   2.127   9.292
  694    HA   GLN  97           HA       GLN  97 -11.422   3.524   8.950
  695    HB2  GLN  97           HB2      GLN  97 -13.272   3.696   7.286
  696    HB3  GLN  97           HB1      GLN  97 -14.246   4.511   8.502
  697    HG2  GLN  97           HG2      GLN  97 -12.569   6.311   8.598
  698    HG3  GLN  97           HG1      GLN  97 -11.659   5.500   7.324
  699   HE21  GLN  97          HE21      GLN  97 -12.487   5.460   5.233
  700   HE22  GLN  97          HE22      GLN  97 -13.745   6.533   4.722
  Start of MODEL    2
    1    H    ASP   1           HN       ASP   1  21.705   7.256   6.607
    2    HA   ASP   1           HA       ASP   1  24.512   6.564   6.722
    3    HB2  ASP   1           HB2      ASP   1  24.142   4.389   7.825
    4    HB3  ASP   1           HB1      ASP   1  23.726   5.724   8.890
    5    HA   PRO   2           HA       PRO   2  23.578   4.291   2.979
    6    HB2  PRO   2           HB2      PRO   2  24.763   1.816   4.064
    7    HB3  PRO   2           HB1      PRO   2  25.233   2.757   2.646
    8    HG2  PRO   2           HG2      PRO   2  26.715   2.740   4.884
    9    HG3  PRO   2           HG1      PRO   2  26.563   4.189   3.872
   10    HD2  PRO   2           HD2      PRO   2  25.229   3.536   6.468
   11    HD3  PRO   2           HD1      PRO   2  25.866   5.087   5.884
   12    H    VAL   3           HN       VAL   3  21.347   4.170   3.164
   13    HA   VAL   3           HA       VAL   3  20.162   2.200   4.923
   14    HB   VAL   3           HB       VAL   3  18.000   3.224   4.244
   15   HG11  VAL   3          HG11      VAL   3  19.156   4.038   6.217
   16   HG12  VAL   3          HG12      VAL   3  18.381   5.383   5.381
   17   HG13  VAL   3          HG13      VAL   3  20.121   5.136   5.232
   18   HG21  VAL   3          HG21      VAL   3  18.634   3.947   1.995
   19   HG22  VAL   3          HG22      VAL   3  19.745   5.131   2.684
   20   HG23  VAL   3          HG23      VAL   3  18.011   5.295   2.946
   21    H    LYS   4           HN       LYS   4  21.529   1.529   2.290
   22    HA   LYS   4           HA       LYS   4  21.299   0.052   0.575
   23    HB2  LYS   4           HB2      LYS   4  18.752  -0.683   2.037
   24    HB3  LYS   4           HB1      LYS   4  19.301  -1.507   0.590
   25    HG2  LYS   4           HG2      LYS   4  19.970  -2.882   2.342
   26    HG3  LYS   4           HG1      LYS   4  21.437  -2.013   1.892
   27    HD2  LYS   4           HD2      LYS   4  21.225  -0.543   3.766
   28    HD3  LYS   4           HD1      LYS   4  19.613  -1.162   4.136
   29    HE2  LYS   4           HE2      LYS   4  21.316  -2.060   5.660
   30    HE3  LYS   4           HE1      LYS   4  20.545  -3.326   4.710
   31    HZ1  LYS   4           HZ1      LYS   4  23.024  -3.480   4.933
   32    HZ2  LYS   4           HZ2      LYS   4  23.136  -2.103   3.946
   33    HZ3  LYS   4           HZ3      LYS   4  22.436  -3.526   3.342
   34    HA   PRO   5           HA       PRO   5  18.910   2.164  -2.476
   35    HB2  PRO   5           HB2      PRO   5  18.438   0.289  -4.366
   36    HB3  PRO   5           HB1      PRO   5  20.048   0.958  -4.070
   37    HG2  PRO   5           HG2      PRO   5  18.870  -1.631  -3.130
   38    HG3  PRO   5           HG1      PRO   5  20.489  -1.310  -3.780
   39    HD2  PRO   5           HD2      PRO   5  19.984  -1.548  -1.120
   40    HD3  PRO   5           HD1      PRO   5  21.276  -0.521  -1.771
   41    H    SER   6           HN       SER   6  17.496  -0.250  -0.650
   42    HA   SER   6           HA       SER   6  14.825   0.549  -1.569
   43    HB2  SER   6           HB2      SER   6  14.076  -1.801  -1.235
   44    HB3  SER   6           HB1      SER   6  15.270  -1.635  -2.523
   45    HG   SER   6           HG       SER   6  15.385  -3.144  -0.325
   46    H    ARG   7           HN       ARG   7  16.686   1.125   0.796
   47    HA   ARG   7           HA       ARG   7  16.558   1.505   3.014
   48    HB2  ARG   7           HB2      ARG   7  14.408   2.580   2.292
   49    HB3  ARG   7           HB1      ARG   7  13.577   1.095   2.736
   50    HG2  ARG   7           HG2      ARG   7  13.488   2.883   4.471
   51    HG3  ARG   7           HG1      ARG   7  14.178   1.360   5.035
   52    HD2  ARG   7           HD2      ARG   7  16.448   2.371   4.474
   53    HD3  ARG   7           HD1      ARG   7  15.604   3.910   4.331
   54    HE   ARG   7           HE       ARG   7  14.994   3.689   6.686
   55   HH11  ARG   7          HH11      ARG   7  17.514   1.564   5.493
   56   HH12  ARG   7          HH12      ARG   7  18.283   1.385   7.037
   57   HH21  ARG   7          HH21      ARG   7  16.028   3.468   8.732
   58   HH22  ARG   7          HH22      ARG   7  17.465   2.496   8.864
   59    H    GLY   8           HN       GLY   8  16.962  -1.225   2.102
   60    HA2  GLY   8           HA2      GLY   8  17.668  -2.539   4.209
   61    HA3  GLY   8           HA1      GLY   8  15.932  -2.674   4.442
   62    HA   PRO   9           HA       PRO   9  16.619  -6.451   2.136
   63    HB2  PRO   9           HB2      PRO   9  14.201  -7.537   2.599
   64    HB3  PRO   9           HB1      PRO   9  15.441  -7.456   3.857
   65    HG2  PRO   9           HG2      PRO   9  13.069  -5.683   3.419
   66    HG3  PRO   9           HG1      PRO   9  13.694  -6.365   4.933
   67    HD2  PRO   9           HD2      PRO   9  14.192  -3.808   4.111
   68    HD3  PRO   9           HD1      PRO   9  15.293  -4.734   5.146
   69    H    LEU  10           HN       LEU  10  15.134  -7.674   0.476
   70    HA   LEU  10           HA       LEU  10  13.730  -5.690  -1.175
   71    HB2  LEU  10           HB2      LEU  10  15.359  -8.088  -1.954
   72    HB3  LEU  10           HB1      LEU  10  14.198  -7.373  -3.050
   73    HG   LEU  10           HG       LEU  10  16.569  -5.934  -1.862
   74   HD11  LEU  10          HD11      LEU  10  17.257  -7.639  -3.456
   75   HD12  LEU  10          HD12      LEU  10  17.484  -6.023  -4.128
   76   HD13  LEU  10          HD13      LEU  10  16.113  -7.009  -4.642
   77   HD21  LEU  10          HD21      LEU  10  14.599  -5.084  -3.980
   78   HD22  LEU  10          HD22      LEU  10  15.999  -4.164  -3.429
   79   HD23  LEU  10          HD23      LEU  10  14.655  -4.474  -2.326
   80    H    VAL  11           HN       VAL  11  11.677  -6.030  -1.624
   81    HA   VAL  11           HA       VAL  11  10.518  -8.696  -1.360
   82    HB   VAL  11           HB       VAL  11   9.460  -6.214   0.021
   83   HG11  VAL  11          HG11      VAL  11   7.583  -7.602   0.756
   84   HG12  VAL  11          HG12      VAL  11   8.175  -8.927  -0.244
   85   HG13  VAL  11          HG13      VAL  11   7.623  -7.432  -0.997
   86   HG21  VAL  11          HG21      VAL  11   9.626  -7.556   2.066
   87   HG22  VAL  11          HG22      VAL  11  11.196  -7.338   1.294
   88   HG23  VAL  11          HG23      VAL  11  10.343  -8.873   1.138
   89    H    THR  12           HN       THR  12   9.566  -9.070  -3.278
   90    HA   THR  12           HA       THR  12   8.558  -6.922  -4.905
   91    HB   THR  12           HB       THR  12   8.438  -9.919  -5.182
   92    HG1  THR  12           HG1      THR  12   9.491  -8.330  -7.185
   93   HG21  THR  12          HG21      THR  12   7.342  -9.622  -7.339
   94   HG22  THR  12          HG22      THR  12   7.266  -7.879  -7.073
   95   HG23  THR  12          HG23      THR  12   6.336  -8.967  -6.041
   96    H    CYS  13           HN       CYS  13   6.518  -6.265  -5.112
   97    HA   CYS  13           HA       CYS  13   4.381  -7.786  -3.845
   98    HB2  CYS  13           HB2      CYS  13   4.879  -4.843  -3.350
   99    HB3  CYS  13           HB1      CYS  13   3.498  -5.761  -2.768
  100    H    THR  14           HN       THR  14   2.551  -7.771  -5.024
  101    HA   THR  14           HA       THR  14   2.160  -6.842  -7.558
  102    HB   THR  14           HB       THR  14   0.027  -6.871  -5.402
  103    HG1  THR  14           HG1      THR  14   1.093  -9.001  -6.988
  104   HG21  THR  14          HG21      THR  14  -1.482  -7.467  -7.223
  105   HG22  THR  14          HG22      THR  14  -0.149  -7.391  -8.376
  106   HG23  THR  14          HG23      THR  14  -0.692  -5.927  -7.556
  107    H    CYS  15           HN       CYS  15   2.114  -4.809  -8.447
  108    HA   CYS  15           HA       CYS  15   1.901  -2.598  -6.501
  109    HB2  CYS  15           HB2      CYS  15   4.201  -3.325  -7.658
  110    HB3  CYS  15           HB1      CYS  15   3.590  -2.269  -8.923
  111    H    GLU  16           HN       GLU  16   0.018  -1.615  -6.909
  112    HA   GLU  16           HA       GLU  16  -0.955  -1.580  -9.706
  113    HB2  GLU  16           HB2      GLU  16  -2.223  -2.898  -7.850
  114    HB3  GLU  16           HB1      GLU  16  -2.775  -1.314  -7.335
  115    HG2  GLU  16           HG2      GLU  16  -3.180  -2.453 -10.091
  116    HG3  GLU  16           HG1      GLU  16  -4.369  -2.520  -8.794
  117    H    SER  17           HN       SER  17  -0.023   0.386 -10.262
  118    HA   SER  17           HA       SER  17   0.044   2.640 -10.595
  119    HB2  SER  17           HB2      SER  17  -2.576   2.024 -10.232
  120    HB3  SER  17           HB1      SER  17  -2.310   3.210  -8.953
  121    HG   SER  17           HG       SER  17  -2.981   4.059 -11.072
  122    HA   PRO  18           HA       PRO  18   0.536   3.891  -6.032
  123    HB2  PRO  18           HB2      PRO  18   2.021   1.939  -4.761
  124    HB3  PRO  18           HB1      PRO  18   0.256   1.922  -4.874
  125    HG2  PRO  18           HG2      PRO  18   2.101   0.100  -6.032
  126    HG3  PRO  18           HG1      PRO  18   0.350   0.158  -6.293
  127    HD2  PRO  18           HD2      PRO  18   2.556   1.333  -7.938
  128    HD3  PRO  18           HD1      PRO  18   1.010   0.615  -8.459
  129    H    HIS  19           HN       HIS  19   3.282   1.830  -6.212
  130    HA   HIS  19           HA       HIS  19   5.146   4.072  -6.050
  131    HB2  HIS  19           HB2      HIS  19   6.050   1.270  -5.671
  132    HB3  HIS  19           HB1      HIS  19   6.463   2.713  -4.748
  133    HD1  HIS  19           HD1      HIS  19   4.038  -0.110  -4.879
  134    HD2  HIS  19           HD2      HIS  19   4.702   3.274  -2.595
  135    HE1  HIS  19           HE1      HIS  19   2.545  -0.361  -2.864
  136    HE2  HIS  19           HE2      HIS  19   3.191   1.574  -1.382
  137    H    CYS  20           HN       CYS  20   3.682   2.122  -8.241
  138    HA   CYS  20           HA       CYS  20   5.998   1.973 -10.023
  139    HB2  CYS  20           HB2      CYS  20   4.133  -0.371  -9.729
  140    HB3  CYS  20           HB1      CYS  20   5.751  -0.331 -10.421
  141    H    LYS  21           HN       LYS  21   4.969   0.944 -12.205
  142    HA   LYS  21           HA       LYS  21   2.913   2.854 -12.876
  143    HB2  LYS  21           HB2      LYS  21   4.858   2.513 -14.358
  144    HB3  LYS  21           HB1      LYS  21   4.331   0.859 -14.646
  145    HG2  LYS  21           HG2      LYS  21   3.670   2.240 -16.493
  146    HG3  LYS  21           HG1      LYS  21   2.232   1.731 -15.606
  147    HD2  LYS  21           HD2      LYS  21   2.575   3.993 -14.338
  148    HD3  LYS  21           HD1      LYS  21   3.513   4.427 -15.768
  149    HE2  LYS  21           HE2      LYS  21   0.620   3.595 -15.657
  150    HE3  LYS  21           HE1      LYS  21   1.259   5.187 -16.066
  151    HZ1  LYS  21           HZ1      LYS  21   1.398   2.696 -17.653
  152    HZ2  LYS  21           HZ2      LYS  21   2.409   4.020 -17.977
  153    HZ3  LYS  21           HZ3      LYS  21   0.727   4.191 -18.096
  154    H    GLY  22           HN       GLY  22   2.925  -0.427 -11.896
  155    HA2  GLY  22           HA2      GLY  22   0.261  -0.979 -12.269
  156    HA3  GLY  22           HA1      GLY  22   0.996  -1.280 -13.828
  157    HA   PRO  23           HA       PRO  23   2.270  -5.217 -12.522
  158    HB2  PRO  23           HB2      PRO  23   4.881  -5.586 -12.967
  159    HB3  PRO  23           HB1      PRO  23   3.737  -5.263 -14.265
  160    HG2  PRO  23           HG2      PRO  23   5.613  -3.369 -12.901
  161    HG3  PRO  23           HG1      PRO  23   5.250  -3.525 -14.629
  162    HD2  PRO  23           HD2      PRO  23   4.108  -1.624 -12.982
  163    HD3  PRO  23           HD1      PRO  23   3.359  -2.245 -14.469
  164    H    THR  24           HN       THR  24   5.507  -4.564 -11.492
  165    HA   THR  24           HA       THR  24   4.916  -4.896  -8.690
  166    HB   THR  24           HB       THR  24   6.183  -7.077  -8.540
  167    HG1  THR  24           HG1      THR  24   7.158  -7.303 -10.491
  168   HG21  THR  24          HG21      THR  24   3.577  -7.150 -10.062
  169   HG22  THR  24          HG22      THR  24   3.767  -7.087  -8.309
  170   HG23  THR  24          HG23      THR  24   4.293  -8.512  -9.199
  171    H    CYS  25           HN       CYS  25   6.832  -4.803  -7.392
  172    HA   CYS  25           HA       CYS  25   9.387  -4.571  -8.779
  173    HB2  CYS  25           HB2      CYS  25   9.640  -2.347  -8.544
  174    HB3  CYS  25           HB1      CYS  25   7.917  -2.296  -8.217
  175    H    ARG  26           HN       ARG  26  11.127  -5.057  -7.563
  176    HA   ARG  26           HA       ARG  26  10.753  -6.099  -4.892
  177    HB2  ARG  26           HB2      ARG  26  13.325  -5.691  -6.435
  178    HB3  ARG  26           HB1      ARG  26  13.142  -6.629  -4.957
  179    HG2  ARG  26           HG2      ARG  26  11.648  -8.168  -6.128
  180    HG3  ARG  26           HG1      ARG  26  11.860  -7.235  -7.609
  181    HD2  ARG  26           HD2      ARG  26  13.339  -9.018  -7.826
  182    HD3  ARG  26           HD1      ARG  26  14.347  -7.666  -7.317
  183    HE   ARG  26           HE       ARG  26  13.389  -9.386  -5.182
  184   HH11  ARG  26          HH11      ARG  26  15.984  -8.565  -7.384
  185   HH12  ARG  26          HH12      ARG  26  17.165  -9.543  -6.565
  186   HH21  ARG  26          HH21      ARG  26  14.958 -10.655  -4.067
  187   HH22  ARG  26          HH22      ARG  26  16.580 -10.748  -4.699
  188    H    GLY  27           HN       GLY  27  10.517  -4.773  -3.304
  189    HA2  GLY  27           HA2      GLY  27  12.042  -2.225  -3.292
  190    HA3  GLY  27           HA1      GLY  27  10.376  -2.341  -2.759
  191    H    ALA  28           HN       ALA  28   9.960  -2.828  -0.740
  192    HA   ALA  28           HA       ALA  28  12.220  -3.437   1.053
  193    HB1  ALA  28           HB1      ALA  28  11.831  -0.993   1.099
  194    HB2  ALA  28           HB2      ALA  28  11.489  -1.755   2.652
  195    HB3  ALA  28           HB3      ALA  28  10.160  -1.287   1.591
  196    H    TRP  29           HN       TRP  29   8.829  -3.195   0.497
  197    HA   TRP  29           HA       TRP  29   8.080  -5.581   1.691
  198    HB2  TRP  29           HB2      TRP  29   6.950  -4.759   3.715
  199    HB3  TRP  29           HB1      TRP  29   8.681  -4.472   3.803
  200    HD1  TRP  29           HD1      TRP  29   7.845  -1.763   1.692
  201    HE1  TRP  29           HE1      TRP  29   7.258   0.375   2.995
  202    HE3  TRP  29           HE3      TRP  29   6.990  -3.800   6.305
  203    HZ2  TRP  29           HZ2      TRP  29   6.566   1.110   5.579
  204    HZ3  TRP  29           HZ3      TRP  29   6.361  -2.295   8.146
  205    HH2  TRP  29           HH2      TRP  29   6.149   0.114   7.791
  206    H    CYS  30           HN       CYS  30   5.503  -5.260   2.254
  207    HA   CYS  30           HA       CYS  30   4.503  -4.115  -0.251
  208    HB2  CYS  30           HB2      CYS  30   3.235  -6.036   1.709
  209    HB3  CYS  30           HB1      CYS  30   2.433  -5.415   0.272
  210    H    THR  31           HN       THR  31   3.529  -2.189  -0.219
  211    HA   THR  31           HA       THR  31   2.075  -1.413   2.227
  212    HB   THR  31           HB       THR  31   2.500   0.976   1.438
  213    HG1  THR  31           HG1      THR  31   4.370  -0.439  -0.176
  214   HG21  THR  31          HG21      THR  31   4.893  -0.681   2.254
  215   HG22  THR  31          HG22      THR  31   3.684  -0.009   3.347
  216   HG23  THR  31          HG23      THR  31   4.737   1.066   2.431
  217    H    VAL  32           HN       VAL  32  -0.040  -1.274   1.917
  218    HA   VAL  32           HA       VAL  32  -0.989  -0.857  -0.835
  219    HB   VAL  32           HB       VAL  32  -3.003  -2.042  -0.310
  220   HG11  VAL  32          HG11      VAL  32  -2.111  -4.268   0.144
  221   HG12  VAL  32          HG12      VAL  32  -0.591  -3.539   0.666
  222   HG13  VAL  32          HG13      VAL  32  -1.120  -3.374  -1.010
  223   HG21  VAL  32          HG21      VAL  32  -3.537  -3.002   1.781
  224   HG22  VAL  32          HG22      VAL  32  -3.153  -1.299   2.060
  225   HG23  VAL  32          HG23      VAL  32  -1.968  -2.549   2.462
  226    H    VAL  33           HN       VAL  33  -2.623   0.519  -1.216
  227    HA   VAL  33           HA       VAL  33  -3.744   2.143   0.914
  228    HB   VAL  33           HB       VAL  33  -3.082   4.143  -0.830
  229   HG11  VAL  33          HG11      VAL  33  -1.538   3.261   1.592
  230   HG12  VAL  33          HG12      VAL  33  -2.971   4.291   1.579
  231   HG13  VAL  33          HG13      VAL  33  -1.463   4.864   0.859
  232   HG21  VAL  33          HG21      VAL  33  -1.564   2.691  -2.091
  233   HG22  VAL  33          HG22      VAL  33  -0.655   2.371  -0.610
  234   HG23  VAL  33          HG23      VAL  33  -0.696   4.001  -1.288
  235    H    LEU  34           HN       LEU  34  -5.844   2.193   0.494
  236    HA   LEU  34           HA       LEU  34  -6.818   1.963  -2.213
  237    HB2  LEU  34           HB2      LEU  34  -8.067   0.872  -0.449
  238    HB3  LEU  34           HB1      LEU  34  -8.257   2.391   0.421
  239    HG   LEU  34           HG       LEU  34  -9.560   3.195  -1.668
  240   HD11  LEU  34          HD11      LEU  34 -10.578   1.422  -3.000
  241   HD12  LEU  34          HD12      LEU  34  -9.565   0.230  -2.182
  242   HD13  LEU  34          HD13      LEU  34  -8.826   1.473  -3.195
  243   HD21  LEU  34          HD21      LEU  34 -10.697   0.955  -0.002
  244   HD22  LEU  34          HD22      LEU  34 -11.623   2.156  -0.899
  245   HD23  LEU  34          HD23      LEU  34 -10.624   2.653   0.466
  246    H    VAL  35           HN       VAL  35  -6.333   3.695  -3.363
  247    HA   VAL  35           HA       VAL  35  -6.607   6.348  -2.224
  248    HB   VAL  35           HB       VAL  35  -5.877   5.600  -5.059
  249   HG11  VAL  35          HG11      VAL  35  -4.895   7.840  -5.139
  250   HG12  VAL  35          HG12      VAL  35  -5.455   8.144  -3.494
  251   HG13  VAL  35          HG13      VAL  35  -6.625   7.900  -4.794
  252   HG21  VAL  35          HG21      VAL  35  -4.313   4.573  -3.485
  253   HG22  VAL  35          HG22      VAL  35  -4.029   6.148  -2.739
  254   HG23  VAL  35          HG23      VAL  35  -3.545   5.866  -4.411
  255    H    ARG  36           HN       ARG  36  -8.433   7.449  -2.365
  256    HA   ARG  36           HA       ARG  36 -10.629   6.568  -3.850
  257    HB2  ARG  36           HB2      ARG  36 -10.108   8.660  -1.968
  258    HB3  ARG  36           HB1      ARG  36 -11.034   9.298  -3.312
  259    HG2  ARG  36           HG2      ARG  36 -12.626   8.568  -1.779
  260    HG3  ARG  36           HG1      ARG  36 -12.577   7.310  -3.009
  261    HD2  ARG  36           HD2      ARG  36 -10.979   6.068  -1.536
  262    HD3  ARG  36           HD1      ARG  36 -11.321   7.270  -0.292
  263    HE   ARG  36           HE       ARG  36 -13.419   5.557  -1.480
  264   HH11  ARG  36          HH11      ARG  36 -11.876   6.985   1.329
  265   HH12  ARG  36          HH12      ARG  36 -13.050   6.356   2.434
  266   HH21  ARG  36          HH21      ARG  36 -14.945   4.746  -0.048
  267   HH22  ARG  36          HH22      ARG  36 -14.819   5.090   1.650
  268    H    GLU  37           HN       GLU  37  -9.446   6.248  -5.799
  269    HA   GLU  37           HA       GLU  37  -8.901   6.638  -7.947
  270    HB2  GLU  37           HB2      GLU  37 -11.387   6.875  -7.856
  271    HB3  GLU  37           HB1      GLU  37 -11.179   8.612  -7.818
  272    HG2  GLU  37           HG2      GLU  37  -9.851   8.284 -10.005
  273    HG3  GLU  37           HG1      GLU  37 -10.586   6.684 -10.032
  274    H    GLU  38           HN       GLU  38  -9.941   9.693  -8.621
  275    HA   GLU  38           HA       GLU  38  -7.812  11.150  -7.315
  276    HB2  GLU  38           HB2      GLU  38  -7.016  10.493  -9.638
  277    HB3  GLU  38           HB1      GLU  38  -8.329  11.472 -10.279
  278    HG2  GLU  38           HG2      GLU  38  -6.120  12.611 -10.219
  279    HG3  GLU  38           HG1      GLU  38  -7.406  13.457  -9.355
  280    H    GLY  39           HN       GLY  39  -9.707  11.576  -6.100
  281    HA2  GLY  39           HA2      GLY  39 -11.074  13.798  -6.105
  282    HA3  GLY  39           HA1      GLY  39 -11.898  12.982  -7.433
  283    H    ARG  40           HN       ARG  40 -12.471  10.597  -6.839
  284    HA   ARG  40           HA       ARG  40 -12.922   9.761  -4.272
  285    HB2  ARG  40           HB2      ARG  40 -14.417  11.557  -3.876
  286    HB3  ARG  40           HB1      ARG  40 -15.230  11.315  -5.427
  287    HG2  ARG  40           HG2      ARG  40 -16.703  10.344  -3.960
  288    HG3  ARG  40           HG1      ARG  40 -15.730   8.971  -4.508
  289    HD2  ARG  40           HD2      ARG  40 -14.325   9.192  -2.500
  290    HD3  ARG  40           HD1      ARG  40 -15.350  10.512  -1.939
  291    HE   ARG  40           HE       ARG  40 -16.386   7.785  -2.364
  292   HH11  ARG  40          HH11      ARG  40 -16.059  10.679  -0.411
  293   HH12  ARG  40          HH12      ARG  40 -17.082  10.084   0.868
  294   HH21  ARG  40          HH21      ARG  40 -17.720   6.999  -0.689
  295   HH22  ARG  40          HH22      ARG  40 -18.022   7.987   0.713
  296    H    HIS  41           HN       HIS  41 -12.524   7.769  -4.996
  297    HA   HIS  41           HA       HIS  41 -14.634   6.111  -5.766
  298    HB2  HIS  41           HB2      HIS  41 -13.387   7.358  -8.011
  299    HB3  HIS  41           HB1      HIS  41 -12.841   5.687  -7.984
  300    HD1  HIS  41           HD1      HIS  41 -14.346   4.062  -9.108
  301    HD2  HIS  41           HD2      HIS  41 -16.359   7.518  -7.952
  302    HE1  HIS  41           HE1      HIS  41 -16.679   3.835 -10.027
  303    HE2  HIS  41           HE2      HIS  41 -17.821   6.007  -9.457
  304    HA   PRO  42           HA       PRO  42 -11.433   3.629  -4.028
  305    HB2  PRO  42           HB2      PRO  42 -12.345   1.154  -4.304
  306    HB3  PRO  42           HB1      PRO  42 -13.276   2.355  -3.402
  307    HG2  PRO  42           HG2      PRO  42 -13.691   1.361  -6.198
  308    HG3  PRO  42           HG1      PRO  42 -14.896   1.718  -4.947
  309    HD2  PRO  42           HD2      PRO  42 -14.138   3.454  -7.021
  310    HD3  PRO  42           HD1      PRO  42 -14.990   3.922  -5.534
  311    H    GLN  43           HN       GLN  43  -9.414   3.328  -4.781
  312    HA   GLN  43           HA       GLN  43  -9.064   1.254  -6.819
  313    HB2  GLN  43           HB2      GLN  43  -7.427   3.794  -6.735
  314    HB3  GLN  43           HB1      GLN  43  -7.220   2.459  -7.859
  315    HG2  GLN  43           HG2      GLN  43  -9.618   2.947  -8.594
  316    HG3  GLN  43           HG1      GLN  43  -9.433   4.472  -7.729
  317   HE21  GLN  43          HE21      GLN  43  -7.842   5.950  -8.448
  318   HE22  GLN  43          HE22      GLN  43  -7.279   5.922 -10.082
  319    H    GLU  44           HN       GLU  44  -7.876  -0.316  -6.017
  320    HA   GLU  44           HA       GLU  44  -6.516   0.015  -3.490
  321    HB2  GLU  44           HB2      GLU  44  -6.988  -2.359  -5.295
  322    HB3  GLU  44           HB1      GLU  44  -6.039  -2.464  -3.822
  323    HG2  GLU  44           HG2      GLU  44  -8.769  -1.336  -3.613
  324    HG3  GLU  44           HG1      GLU  44  -8.618  -3.066  -3.913
  325    H    HIS  45           HN       HIS  45  -4.700   1.310  -3.948
  326    HA   HIS  45           HA       HIS  45  -2.855   0.322  -5.982
  327    HB2  HIS  45           HB2      HIS  45  -2.718   2.789  -4.236
  328    HB3  HIS  45           HB1      HIS  45  -1.487   2.342  -5.395
  329    HD1  HIS  45           HD1      HIS  45  -2.220   4.852  -6.263
  330    HD2  HIS  45           HD2      HIS  45  -4.878   1.723  -6.921
  331    HE1  HIS  45           HE1      HIS  45  -3.782   5.655  -8.063
  332    HE2  HIS  45           HE2      HIS  45  -5.175   3.631  -8.633
  333    H    ARG  46           HN       ARG  46  -1.865  -1.438  -5.308
  334    HA   ARG  46           HA       ARG  46  -0.794  -1.556  -2.558
  335    HB2  ARG  46           HB2      ARG  46  -1.243  -3.858  -4.463
  336    HB3  ARG  46           HB1      ARG  46  -0.968  -3.940  -2.730
  337    HG2  ARG  46           HG2      ARG  46  -3.138  -2.992  -2.294
  338    HG3  ARG  46           HG1      ARG  46  -3.408  -2.739  -4.019
  339    HD2  ARG  46           HD2      ARG  46  -3.319  -5.160  -4.384
  340    HD3  ARG  46           HD1      ARG  46  -3.043  -5.405  -2.663
  341    HE   ARG  46           HE       ARG  46  -5.350  -4.020  -2.662
  342   HH11  ARG  46          HH11      ARG  46  -4.344  -6.880  -4.415
  343   HH12  ARG  46          HH12      ARG  46  -5.946  -7.520  -4.548
  344   HH21  ARG  46          HH21      ARG  46  -7.447  -4.836  -2.824
  345   HH22  ARG  46          HH22      ARG  46  -7.734  -6.342  -3.647
  346    H    GLY  47           HN       GLY  47   1.415  -2.486  -2.329
  347    HA2  GLY  47           HA2      GLY  47   2.916  -3.720  -4.242
  348    HA3  GLY  47           HA1      GLY  47   3.048  -2.038  -4.718
  349    H    CYS  48           HN       CYS  48   5.263  -2.124  -4.459
  350    HA   CYS  48           HA       CYS  48   6.437  -2.919  -1.921
  351    HB2  CYS  48           HB2      CYS  48   8.542  -2.325  -3.328
  352    HB3  CYS  48           HB1      CYS  48   7.591  -3.736  -3.797
  353    H    GLY  49           HN       GLY  49   6.833  -1.456  -0.355
  354    HA2  GLY  49           HA2      GLY  49   6.261   1.318  -0.795
  355    HA3  GLY  49           HA1      GLY  49   6.836   0.603   0.706
  356    H    ASN  50           HN       ASN  50   9.185  -0.556  -0.679
  357    HA   ASN  50           HA       ASN  50  11.364  -0.061  -1.032
  358    HB2  ASN  50           HB2      ASN  50  10.050   2.223  -2.493
  359    HB3  ASN  50           HB1      ASN  50  11.799   2.054  -2.426
  360   HD21  ASN  50          HD21      ASN  50   8.844   0.765  -3.703
  361   HD22  ASN  50          HD22      ASN  50   9.580  -0.313  -4.842
  362    H    LEU  51           HN       LEU  51  11.824   3.104  -1.278
  363    HA   LEU  51           HA       LEU  51  12.960   3.143   1.378
  364    HB2  LEU  51           HB2      LEU  51  13.181   5.293  -0.718
  365    HB3  LEU  51           HB1      LEU  51  14.248   5.003   0.641
  366    HG   LEU  51           HG       LEU  51  14.493   2.642  -0.681
  367   HD11  LEU  51          HD11      LEU  51  14.115   4.752  -2.802
  368   HD12  LEU  51          HD12      LEU  51  13.068   3.363  -2.517
  369   HD13  LEU  51          HD13      LEU  51  14.729   3.119  -3.062
  370   HD21  LEU  51          HD21      LEU  51  16.316   4.033   0.147
  371   HD22  LEU  51          HD22      LEU  51  16.067   5.172  -1.178
  372   HD23  LEU  51          HD23      LEU  51  16.618   3.529  -1.517
  373    H    HIS  52           HN       HIS  52  10.008   3.990   0.194
  374    HA   HIS  52           HA       HIS  52   9.804   6.425   1.818
  375    HB2  HIS  52           HB2      HIS  52   8.019   5.329  -0.353
  376    HB3  HIS  52           HB1      HIS  52   7.551   6.676   0.678
  377    HD1  HIS  52           HD1      HIS  52   8.500   8.971   0.109
  378    HD2  HIS  52           HD2      HIS  52  10.208   5.880  -2.098
  379    HE1  HIS  52           HE1      HIS  52   9.897  10.083  -1.664
  380    HE2  HIS  52           HE2      HIS  52  11.118   8.194  -2.798
  381    H    ARG  53           HN       ARG  53   9.037   6.287   3.756
  382    HA   ARG  53           HA       ARG  53   7.469   3.949   4.590
  383    HB2  ARG  53           HB2      ARG  53   9.602   4.847   5.770
  384    HB3  ARG  53           HB1      ARG  53   8.562   6.129   6.365
  385    HG2  ARG  53           HG2      ARG  53   8.748   4.465   8.054
  386    HG3  ARG  53           HG1      ARG  53   7.113   4.393   7.393
  387    HD2  ARG  53           HD2      ARG  53   8.252   2.170   7.771
  388    HD3  ARG  53           HD1      ARG  53   7.590   2.437   6.159
  389    HE   ARG  53           HE       ARG  53  10.087   3.197   5.750
  390   HH11  ARG  53          HH11      ARG  53   9.009   0.466   7.680
  391   HH12  ARG  53          HH12      ARG  53  10.338  -0.539   7.196
  392   HH21  ARG  53          HH21      ARG  53  11.816   1.881   5.138
  393   HH22  ARG  53          HH22      ARG  53  11.928   0.251   5.738
  394    H    GLU  54           HN       GLU  54   7.377   7.346   4.086
  395    HA   GLU  54           HA       GLU  54   5.414   8.332   5.699
  396    HB2  GLU  54           HB2      GLU  54   5.077  10.054   3.966
  397    HB3  GLU  54           HB1      GLU  54   6.780   9.712   4.249
  398    HG2  GLU  54           HG2      GLU  54   6.671   8.163   2.254
  399    HG3  GLU  54           HG1      GLU  54   5.082   8.847   1.926
  400    H    LEU  55           HN       LEU  55   4.903   6.655   2.623
  401    HA   LEU  55           HA       LEU  55   2.124   7.268   2.532
  402    HB2  LEU  55           HB2      LEU  55   2.257   5.419   0.674
  403    HB3  LEU  55           HB1      LEU  55   2.897   7.029   0.417
  404    HG   LEU  55           HG       LEU  55   5.171   6.137   1.005
  405   HD11  LEU  55          HD11      LEU  55   5.516   3.718   0.895
  406   HD12  LEU  55          HD12      LEU  55   3.769   3.476   0.837
  407   HD13  LEU  55          HD13      LEU  55   4.518   4.180   2.273
  408   HD21  LEU  55          HD21      LEU  55   4.498   6.480  -1.299
  409   HD22  LEU  55          HD22      LEU  55   3.752   4.882  -1.338
  410   HD23  LEU  55          HD23      LEU  55   5.499   5.035  -1.158
  411    H    CYS  56           HN       CYS  56   3.735   5.190   4.469
  412    HA   CYS  56           HA       CYS  56   1.282   3.670   4.947
  413    HB2  CYS  56           HB2      CYS  56   3.184   2.426   3.540
  414    HB3  CYS  56           HB1      CYS  56   3.855   2.168   5.146
  415    H    ARG  57           HN       ARG  57   2.098   5.847   6.349
  416    HA   ARG  57           HA       ARG  57   2.604   5.133   8.978
  417    HB2  ARG  57           HB2      ARG  57   5.073   5.580   7.354
  418    HB3  ARG  57           HB1      ARG  57   5.015   6.296   8.953
  419    HG2  ARG  57           HG2      ARG  57   4.600   3.365   8.411
  420    HG3  ARG  57           HG1      ARG  57   6.154   4.089   8.827
  421    HD2  ARG  57           HD2      ARG  57   5.323   3.276  10.854
  422    HD3  ARG  57           HD1      ARG  57   4.981   5.003  10.896
  423    HE   ARG  57           HE       ARG  57   2.947   2.984  10.183
  424   HH11  ARG  57          HH11      ARG  57   3.964   5.838  11.934
  425   HH12  ARG  57          HH12      ARG  57   2.393   6.151  12.607
  426   HH21  ARG  57          HH21      ARG  57   0.890   3.351  11.090
  427   HH22  ARG  57          HH22      ARG  57   0.635   4.722  12.134
  428    H    GLY  58           HN       GLY  58   0.886   6.756   8.831
  429    HA2  GLY  58           HA2      GLY  58   1.964   9.377   9.366
  430    HA3  GLY  58           HA1      GLY  58   0.955   9.294   7.927
  431    H    ARG  59           HN       ARG  59  -1.208   9.165   8.108
  432    HA   ARG  59           HA       ARG  59  -2.389   8.783  10.764
  433    HB2  ARG  59           HB2      ARG  59  -2.913  11.113   8.906
  434    HB3  ARG  59           HB1      ARG  59  -3.994  10.669  10.220
  435    HG2  ARG  59           HG2      ARG  59  -1.112  11.486  10.516
  436    HG3  ARG  59           HG1      ARG  59  -2.516  12.505  10.841
  437    HD2  ARG  59           HD2      ARG  59  -3.241  10.924  12.575
  438    HD3  ARG  59           HD1      ARG  59  -1.815   9.937  12.261
  439    HE   ARG  59           HE       ARG  59  -1.187  12.662  12.907
  440   HH11  ARG  59          HH11      ARG  59  -1.896   9.501  14.223
  441   HH12  ARG  59          HH12      ARG  59  -1.119   9.812  15.742
  442   HH21  ARG  59          HH21      ARG  59  -0.186  13.096  14.916
  443   HH22  ARG  59          HH22      ARG  59  -0.164  11.868  16.150
  444    HA   PRO  60           HA       PRO  60  -5.303   6.488   8.272
  445    HB2  PRO  60           HB2      PRO  60  -7.169   6.522  10.488
  446    HB3  PRO  60           HB1      PRO  60  -6.203   5.175   9.884
  447    HG2  PRO  60           HG2      PRO  60  -5.786   6.356  12.307
  448    HG3  PRO  60           HG1      PRO  60  -4.505   5.560  11.374
  449    HD2  PRO  60           HD2      PRO  60  -5.146   8.480  11.607
  450    HD3  PRO  60           HD1      PRO  60  -3.562   7.671  11.611
  451    H    THR  61           HN       THR  61  -5.734   8.300   6.889
  452    HA   THR  61           HA       THR  61  -7.884  10.097   7.599
  453    HB   THR  61           HB       THR  61  -7.014  10.082   4.797
  454    HG1  THR  61           HG1      THR  61  -4.951  11.190   6.009
  455   HG21  THR  61          HG21      THR  61  -6.950  12.168   6.987
  456   HG22  THR  61          HG22      THR  61  -8.254  11.927   5.821
  457   HG23  THR  61          HG23      THR  61  -6.667  12.468   5.270
  458    H    GLU  62           HN       GLU  62  -9.208  10.336   5.122
  459    HA   GLU  62           HA       GLU  62 -10.713   7.818   5.159
  460    HB2  GLU  62           HB2      GLU  62 -11.552  10.555   4.193
  461    HB3  GLU  62           HB1      GLU  62 -12.580   9.129   4.249
  462    HG2  GLU  62           HG2      GLU  62 -12.362   9.052   6.671
  463    HG3  GLU  62           HG1      GLU  62 -11.295  10.454   6.627
  464    H    PHE  63           HN       PHE  63  -9.789  10.307   2.750
  465    HA   PHE  63           HA       PHE  63 -10.295   8.713   0.518
  466    HB2  PHE  63           HB2      PHE  63  -8.946  10.329  -0.750
  467    HB3  PHE  63           HB1      PHE  63 -10.063  11.138   0.343
  468    HD1  PHE  63           HD1      PHE  63  -9.183  12.161   2.441
  469    HD2  PHE  63           HD2      PHE  63  -6.604  10.590  -0.556
  470    HE1  PHE  63           HE1      PHE  63  -7.298  13.403   3.416
  471    HE2  PHE  63           HE2      PHE  63  -4.714  11.832   0.413
  472    HZ   PHE  63           HZ       PHE  63  -5.061  13.241   2.403
  473    H    VAL  64           HN       VAL  64  -7.711   8.489   2.742
  474    HA   VAL  64           HA       VAL  64  -6.365   6.617   0.936
  475    HB   VAL  64           HB       VAL  64  -5.157   8.835   1.124
  476   HG11  VAL  64          HG11      VAL  64  -4.604   7.879   3.928
  477   HG12  VAL  64          HG12      VAL  64  -5.555   9.295   3.474
  478   HG13  VAL  64          HG13      VAL  64  -3.823   9.247   3.132
  479   HG21  VAL  64          HG21      VAL  64  -4.023   6.820   0.377
  480   HG22  VAL  64          HG22      VAL  64  -3.696   6.361   2.047
  481   HG23  VAL  64          HG23      VAL  64  -2.941   7.801   1.365
  482    H    ASN  65           HN       ASN  65  -5.586   4.753   1.907
  483    HA   ASN  65           HA       ASN  65  -5.665   4.508   4.787
  484    HB2  ASN  65           HB2      ASN  65  -7.046   2.327   4.499
  485    HB3  ASN  65           HB1      ASN  65  -7.900   3.858   4.521
  486   HD21  ASN  65          HD21      ASN  65  -7.096   1.036   2.782
  487   HD22  ASN  65          HD22      ASN  65  -8.047   1.366   1.368
  488    H    HIS  66           HN       HIS  66  -3.537   3.997   4.921
  489    HA   HIS  66           HA       HIS  66  -2.456   2.066   3.039
  490    HB2  HIS  66           HB2      HIS  66  -0.263   2.630   4.257
  491    HB3  HIS  66           HB1      HIS  66  -0.985   3.847   3.220
  492    HD1  HIS  66           HD1      HIS  66  -1.227   3.008   6.962
  493    HD2  HIS  66           HD2      HIS  66  -0.855   6.245   4.366
  494    HE1  HIS  66           HE1      HIS  66  -1.184   5.058   8.423
  495    HE2  HIS  66           HE2      HIS  66  -1.157   7.008   6.817
  496    H    TYR  67           HN       TYR  67  -1.620   0.171   3.481
  497    HA   TYR  67           HA       TYR  67  -1.425  -0.763   6.262
  498    HB2  TYR  67           HB2      TYR  67  -3.519  -1.694   5.354
  499    HB3  TYR  67           HB1      TYR  67  -2.653  -2.301   3.956
  500    HD1  TYR  67           HD1      TYR  67  -3.211  -2.751   7.556
  501    HD2  TYR  67           HD2      TYR  67  -1.373  -4.329   4.062
  502    HE1  TYR  67           HE1      TYR  67  -2.813  -4.864   8.738
  503    HE2  TYR  67           HE2      TYR  67  -0.963  -6.452   5.232
  504    HH   TYR  67           HH       TYR  67  -2.351  -7.141   8.343
  505    H    CYS  68           HN       CYS  68   0.320  -2.185   6.583
  506    HA   CYS  68           HA       CYS  68   2.077  -2.440   4.228
  507    HB2  CYS  68           HB2      CYS  68   3.510  -2.149   6.779
  508    HB3  CYS  68           HB1      CYS  68   3.857  -1.474   5.200
  509    H    CYS  69           HN       CYS  69   3.410  -4.203   4.112
  510    HA   CYS  69           HA       CYS  69   3.028  -6.370   6.072
  511    HB2  CYS  69           HB2      CYS  69   2.892  -6.484   3.075
  512    HB3  CYS  69           HB1      CYS  69   3.349  -7.889   4.007
  513    H    ASP  70           HN       ASP  70   4.903  -7.402   6.570
  514    HA   ASP  70           HA       ASP  70   7.321  -6.562   5.111
  515    HB2  ASP  70           HB2      ASP  70   7.182  -6.111   7.616
  516    HB3  ASP  70           HB1      ASP  70   7.230  -7.855   7.849
  517    H    SER  71           HN       SER  71   6.201  -8.179   3.593
  518    HA   SER  71           HA       SER  71   7.561 -10.691   3.710
  519    HB2  SER  71           HB2      SER  71   4.530 -10.699   3.855
  520    HB3  SER  71           HB1      SER  71   5.560 -12.117   3.663
  521    HG   SER  71           HG       SER  71   6.432 -10.816   5.785
  522    H    HIS  72           HN       HIS  72   7.636 -11.687   1.688
  523    HA   HIS  72           HA       HIS  72   7.259 -10.044  -0.577
  524    HB2  HIS  72           HB2      HIS  72   7.633 -13.053  -0.490
  525    HB3  HIS  72           HB1      HIS  72   7.892 -12.015  -1.884
  526    HD1  HIS  72           HD1      HIS  72   9.644 -13.587   0.842
  527    HD2  HIS  72           HD2      HIS  72  10.124 -10.103  -1.385
  528    HE1  HIS  72           HE1      HIS  72  12.040 -12.887   1.174
  529    HE2  HIS  72           HE2      HIS  72  12.279 -10.725  -0.099
  530    H    LEU  73           HN       LEU  73   5.607  -9.877  -1.980
  531    HA   LEU  73           HA       LEU  73   3.522 -10.024  -2.857
  532    HB2  LEU  73           HB2      LEU  73   4.039 -12.962  -2.424
  533    HB3  LEU  73           HB1      LEU  73   2.714 -12.321  -3.374
  534    HG   LEU  73           HG       LEU  73   4.216 -12.802  -5.027
  535   HD11  LEU  73          HD11      LEU  73   5.071 -10.033  -4.205
  536   HD12  LEU  73          HD12      LEU  73   3.637 -10.428  -5.159
  537   HD13  LEU  73          HD13      LEU  73   5.247 -10.745  -5.810
  538   HD21  LEU  73          HD21      LEU  73   5.989 -13.592  -3.554
  539   HD22  LEU  73          HD22      LEU  73   6.464 -11.927  -3.220
  540   HD23  LEU  73          HD23      LEU  73   6.639 -12.583  -4.848
  541    H    CYS  74           HN       CYS  74   3.365  -9.302  -0.251
  542    HA   CYS  74           HA       CYS  74   1.376 -10.993   1.055
  543    HB2  CYS  74           HB2      CYS  74   3.097  -9.931   2.481
  544    HB3  CYS  74           HB1      CYS  74   2.535  -8.343   1.964
  545    H    ASN  75           HN       ASN  75   1.693  -7.874  -0.522
  546    HA   ASN  75           HA       ASN  75  -1.092  -7.288  -0.124
  547    HB2  ASN  75           HB2      ASN  75  -0.712  -5.257  -1.398
  548    HB3  ASN  75           HB1      ASN  75   0.512  -5.432  -0.161
  549   HD21  ASN  75          HD21      ASN  75   0.346  -6.889  -3.404
  550   HD22  ASN  75          HD22      ASN  75   1.790  -6.126  -3.968
  551    H    HIS  76           HN       HIS  76   0.440  -9.431  -2.054
  552    HA   HIS  76           HA       HIS  76  -1.113  -9.083  -4.399
  553    HB2  HIS  76           HB2      HIS  76   1.020 -10.285  -4.433
  554    HB3  HIS  76           HB1      HIS  76   0.358 -11.515  -3.362
  555    HD1  HIS  76           HD1      HIS  76   0.187 -13.565  -4.765
  556    HD2  HIS  76           HD2      HIS  76  -1.172 -10.180  -6.771
  557    HE1  HIS  76           HE1      HIS  76  -0.701 -14.387  -6.971
  558    HE2  HIS  76           HE2      HIS  76  -1.386 -12.308  -8.225
  559    H    ASN  77           HN       ASN  77  -1.602 -10.389  -1.292
  560    HA   ASN  77           HA       ASN  77  -4.122 -11.650  -2.146
  561    HB2  ASN  77           HB2      ASN  77  -2.328 -12.406   0.175
  562    HB3  ASN  77           HB1      ASN  77  -3.913 -13.102  -0.127
  563   HD21  ASN  77          HD21      ASN  77  -3.225 -15.170  -0.410
  564   HD22  ASN  77          HD22      ASN  77  -2.268 -15.679  -1.760
  565    H    VAL  78           HN       VAL  78  -3.153  -8.892  -0.967
  566    HA   VAL  78           HA       VAL  78  -4.515  -8.762   1.583
  567    HB   VAL  78           HB       VAL  78  -2.430  -7.461   1.032
  568   HG11  VAL  78          HG11      VAL  78  -2.996  -6.781  -1.218
  569   HG12  VAL  78          HG12      VAL  78  -2.696  -5.361  -0.216
  570   HG13  VAL  78          HG13      VAL  78  -4.350  -5.826  -0.615
  571   HG21  VAL  78          HG21      VAL  78  -3.164  -5.322   2.095
  572   HG22  VAL  78          HG22      VAL  78  -3.663  -6.774   2.970
  573   HG23  VAL  78          HG23      VAL  78  -4.829  -5.898   1.981
  574    H    SER  79           HN       SER  79  -6.203  -7.184   2.007
  575    HA   SER  79           HA       SER  79  -7.535  -5.951  -0.248
  576    HB2  SER  79           HB2      SER  79  -9.088  -7.658   1.694
  577    HB3  SER  79           HB1      SER  79  -9.722  -6.812   0.285
  578    HG   SER  79           HG       SER  79  -7.693  -8.389  -0.467
  579    H    LEU  80           HN       LEU  80  -7.405  -3.902   0.423
  580    HA   LEU  80           HA       LEU  80  -7.796  -3.148   3.187
  581    HB2  LEU  80           HB2      LEU  80  -7.652  -1.581   0.618
  582    HB3  LEU  80           HB1      LEU  80  -7.825  -0.841   2.199
  583    HG   LEU  80           HG       LEU  80  -5.523  -2.633   1.510
  584   HD11  LEU  80          HD11      LEU  80  -5.683  -0.689  -0.056
  585   HD12  LEU  80          HD12      LEU  80  -4.222  -0.720   0.932
  586   HD13  LEU  80          HD13      LEU  80  -5.550   0.373   1.347
  587   HD21  LEU  80          HD21      LEU  80  -4.493  -1.476   3.406
  588   HD22  LEU  80          HD22      LEU  80  -5.985  -2.292   3.873
  589   HD23  LEU  80          HD23      LEU  80  -5.972  -0.542   3.637
  590    H    VAL  81           HN       VAL  81  -9.366  -2.522   0.152
  591    HA   VAL  81           HA       VAL  81 -11.502  -2.013  -0.429
  592    HB   VAL  81           HB       VAL  81 -13.074  -3.807   0.018
  593   HG11  VAL  81          HG11      VAL  81 -10.287  -4.719  -0.638
  594   HG12  VAL  81          HG12      VAL  81 -11.460  -4.033  -1.761
  595   HG13  VAL  81          HG13      VAL  81 -11.765  -5.604  -1.019
  596   HG21  VAL  81          HG21      VAL  81 -10.956  -4.917   1.854
  597   HG22  VAL  81          HG22      VAL  81 -12.406  -5.774   1.334
  598   HG23  VAL  81          HG23      VAL  81 -12.549  -4.330   2.334
  599    H    LEU  82           HN       LEU  82 -10.907  -0.322   1.542
  600    HA   LEU  82           HA       LEU  82 -12.729  -0.172   3.669
  601    HB2  LEU  82           HB2      LEU  82 -10.742   1.224   3.597
  602    HB3  LEU  82           HB1      LEU  82 -11.312   2.004   2.136
  603    HG   LEU  82           HG       LEU  82 -13.290   2.812   3.563
  604   HD11  LEU  82          HD11      LEU  82 -11.356   2.070   5.750
  605   HD12  LEU  82          HD12      LEU  82 -12.945   1.356   5.470
  606   HD13  LEU  82          HD13      LEU  82 -12.808   3.048   5.950
  607   HD21  LEU  82          HD21      LEU  82 -11.599   4.308   2.721
  608   HD22  LEU  82          HD22      LEU  82 -10.496   3.847   4.020
  609   HD23  LEU  82          HD23      LEU  82 -11.977   4.729   4.393
  610    H    GLU  83           HN       GLU  83 -13.173  -0.027   0.462
  611    HA   GLU  83           HA       GLU  83 -15.413   1.811   0.440
  612    HB2  GLU  83           HB2      GLU  83 -13.533   1.716  -1.302
  613    HB3  GLU  83           HB1      GLU  83 -14.311   0.240  -1.876
  614    HG2  GLU  83           HG2      GLU  83 -15.003   2.135  -3.214
  615    HG3  GLU  83           HG1      GLU  83 -16.370   1.475  -2.317
  616    H    ALA  84           HN       ALA  84 -14.892  -1.306   1.122
  617    HA   ALA  84           HA       ALA  84 -16.113  -3.194   1.335
  618    HB1  ALA  84           HB1      ALA  84 -17.505  -1.632   2.618
  619    HB2  ALA  84           HB2      ALA  84 -18.444  -2.937   1.895
  620    HB3  ALA  84           HB3      ALA  84 -18.464  -1.329   1.170
  621    H    THR  85           HN       THR  85 -15.750  -2.033  -1.508
  622    HA   THR  85           HA       THR  85 -17.119  -4.187  -2.828
  623    HB   THR  85           HB       THR  85 -17.848  -1.419  -3.781
  624    HG1  THR  85           HG1      THR  85 -18.897  -2.871  -1.710
  625   HG21  THR  85          HG21      THR  85 -19.001  -4.145  -4.384
  626   HG22  THR  85          HG22      THR  85 -17.932  -3.222  -5.441
  627   HG23  THR  85          HG23      THR  85 -19.545  -2.615  -5.067
  628    H    GLN  86           HN       GLN  86 -14.855  -4.583  -3.198
  629    HA   GLN  86           HA       GLN  86 -14.174  -3.758  -5.841
  630    HB2  GLN  86           HB2      GLN  86 -13.276  -1.860  -4.449
  631    HB3  GLN  86           HB1      GLN  86 -12.213  -3.019  -3.661
  632    HG2  GLN  86           HG2      GLN  86 -10.946  -3.347  -5.568
  633    HG3  GLN  86           HG1      GLN  86 -12.215  -2.735  -6.628
  634   HE21  GLN  86          HE21      GLN  86 -10.746  -1.342  -7.618
  635   HE22  GLN  86          HE22      GLN  86 -10.240   0.121  -6.842
  636    HA   PRO  87           HA       PRO  87 -12.857  -7.958  -6.136
  637    HB2  PRO  87           HB2      PRO  87 -10.356  -7.197  -7.370
  638    HB3  PRO  87           HB1      PRO  87 -11.772  -7.936  -8.112
  639    HG2  PRO  87           HG2      PRO  87 -10.963  -5.112  -8.035
  640    HG3  PRO  87           HG1      PRO  87 -12.077  -5.932  -9.142
  641    HD2  PRO  87           HD2      PRO  87 -12.939  -4.187  -7.277
  642    HD3  PRO  87           HD1      PRO  87 -13.896  -5.612  -7.744
  643    HA   PRO  88           HA       PRO  88  -9.968  -7.817  -2.661
  644    HB2  PRO  88           HB2      PRO  88 -11.454  -9.400  -1.042
  645    HB3  PRO  88           HB1      PRO  88 -11.787  -7.684  -1.269
  646    HG2  PRO  88           HG2      PRO  88 -13.335  -9.984  -2.172
  647    HG3  PRO  88           HG1      PRO  88 -13.798  -8.273  -2.139
  648    HD2  PRO  88           HD2      PRO  88 -12.811  -9.890  -4.351
  649    HD3  PRO  88           HD1      PRO  88 -13.580  -8.289  -4.375
  650    H    SER  89           HN       SER  89  -9.277  -9.749  -1.151
  651    HA   SER  89           HA       SER  89  -9.156 -12.299  -2.550
  652    HB2  SER  89           HB2      SER  89  -6.646 -10.841  -1.674
  653    HB3  SER  89           HB1      SER  89  -6.721 -12.445  -2.402
  654    HG   SER  89           HG       SER  89  -8.020 -10.845  -4.026
  655    H    GLU  90           HN       GLU  90  -7.400 -10.768   0.159
  656    HA   GLU  90           HA       GLU  90  -8.971 -12.249   2.084
  657    HB2  GLU  90           HB2      GLU  90  -7.304 -13.918   1.581
  658    HB3  GLU  90           HB1      GLU  90  -6.010 -12.737   1.717
  659    HG2  GLU  90           HG2      GLU  90  -6.393 -12.528   4.087
  660    HG3  GLU  90           HG1      GLU  90  -7.783 -13.606   3.986
  661    H    GLN  91           HN       GLN  91  -9.350 -10.901   3.764
  662    HA   GLN  91           HA       GLN  91  -7.367  -8.802   4.282
  663    HB2  GLN  91           HB2      GLN  91  -9.197  -7.273   4.832
  664    HB3  GLN  91           HB1      GLN  91  -9.333  -7.835   3.175
  665    HG2  GLN  91           HG2      GLN  91 -10.874  -9.072   5.437
  666    HG3  GLN  91           HG1      GLN  91 -11.471  -7.693   4.519
  667   HE21  GLN  91          HE21      GLN  91 -12.515 -10.425   4.795
  668   HE22  GLN  91          HE22      GLN  91 -12.640 -11.039   3.180
  669    HA   PRO  92           HA       PRO  92  -7.579 -10.342   8.459
  670    HB2  PRO  92           HB2      PRO  92  -6.486  -8.213   9.743
  671    HB3  PRO  92           HB1      PRO  92  -5.522  -9.364   8.811
  672    HG2  PRO  92           HG2      PRO  92  -6.522  -6.656   8.027
  673    HG3  PRO  92           HG1      PRO  92  -4.938  -7.396   7.730
  674    HD2  PRO  92           HD2      PRO  92  -6.887  -7.273   5.837
  675    HD3  PRO  92           HD1      PRO  92  -5.696  -8.587   5.911
  676    H    GLY  93           HN       GLY  93  -9.086  -7.570   7.278
  677    HA2  GLY  93           HA2      GLY  93 -11.423  -7.833   8.755
  678    HA3  GLY  93           HA1      GLY  93 -10.424  -6.647   9.587
  679    H    THR  94           HN       THR  94 -12.306  -5.281   9.053
  680    HA   THR  94           HA       THR  94 -13.048  -3.416   7.998
  681    HB   THR  94           HB       THR  94 -10.997  -3.956   5.839
  682    HG1  THR  94           HG1      THR  94 -10.496  -3.398   8.278
  683   HG21  THR  94          HG21      THR  94 -11.287  -1.561   5.336
  684   HG22  THR  94          HG22      THR  94 -12.566  -1.472   6.546
  685   HG23  THR  94          HG23      THR  94 -12.784  -2.464   5.105
  686    H    ASP  95           HN       ASP  95 -15.005  -3.537   7.222
  687    HA   ASP  95           HA       ASP  95 -15.486  -5.075   4.754
  688    HB2  ASP  95           HB2      ASP  95 -16.375  -6.192   6.867
  689    HB3  ASP  95           HB1      ASP  95 -17.483  -4.832   7.013
  690    H    GLY  96           HN       GLY  96 -14.912  -2.248   5.402
  691    HA2  GLY  96           HA2      GLY  96 -15.640  -0.359   4.153
  692    HA3  GLY  96           HA1      GLY  96 -17.256  -1.055   4.103
  693    H    GLN  97           HN       GLN  97 -18.275   0.769   4.926
  694    HA   GLN  97           HA       GLN  97 -17.654   1.341   7.745
  695    HB2  GLN  97           HB2      GLN  97 -18.691   3.294   5.681
  696    HB3  GLN  97           HB1      GLN  97 -18.402   3.649   7.379
  697    HG2  GLN  97           HG2      GLN  97 -15.996   3.052   6.989
  698    HG3  GLN  97           HG1      GLN  97 -16.369   2.992   5.268
  699   HE21  GLN  97          HE21      GLN  97 -16.014   5.004   8.055
  700   HE22  GLN  97          HE22      GLN  97 -15.954   6.519   7.216
  Start of MODEL    3
    1    H    ASP   1           HN       ASP   1  23.975  12.240   0.884
    2    HA   ASP   1           HA       ASP   1  22.802  12.092  -1.756
    3    HB2  ASP   1           HB2      ASP   1  23.794   9.913  -1.926
    4    HB3  ASP   1           HB1      ASP   1  24.977  10.950  -1.137
    5    HA   PRO   2           HA       PRO   2  18.816  10.511  -0.853
    6    HB2  PRO   2           HB2      PRO   2  19.420   8.146  -2.557
    7    HB3  PRO   2           HB1      PRO   2  18.086   9.299  -2.661
    8    HG2  PRO   2           HG2      PRO   2  20.096   9.400  -4.393
    9    HG3  PRO   2           HG1      PRO   2  19.370  10.889  -3.758
   10    HD2  PRO   2           HD2      PRO   2  21.951   9.571  -3.024
   11    HD3  PRO   2           HD1      PRO   2  21.568  11.299  -3.175
   12    H    VAL   3           HN       VAL   3  18.656   9.846   1.209
   13    HA   VAL   3           HA       VAL   3  20.070   7.658   2.322
   14    HB   VAL   3           HB       VAL   3  18.534   7.861   4.250
   15   HG11  VAL   3          HG11      VAL   3  20.501   9.286   4.142
   16   HG12  VAL   3          HG12      VAL   3  19.156  10.157   4.880
   17   HG13  VAL   3          HG13      VAL   3  19.605  10.485   3.207
   18   HG21  VAL   3          HG21      VAL   3  16.486   8.420   3.041
   19   HG22  VAL   3          HG22      VAL   3  17.168   9.982   2.590
   20   HG23  VAL   3          HG23      VAL   3  16.836   9.619   4.285
   21    H    LYS   4           HN       LYS   4  19.274   5.628   3.035
   22    HA   LYS   4           HA       LYS   4  16.655   4.874   2.025
   23    HB2  LYS   4           HB2      LYS   4  17.363   2.891   0.917
   24    HB3  LYS   4           HB1      LYS   4  18.293   4.227   0.276
   25    HG2  LYS   4           HG2      LYS   4  19.283   2.198   2.271
   26    HG3  LYS   4           HG1      LYS   4  19.615   2.188   0.543
   27    HD2  LYS   4           HD2      LYS   4  20.808   4.314   0.763
   28    HD3  LYS   4           HD1      LYS   4  20.462   4.326   2.496
   29    HE2  LYS   4           HE2      LYS   4  21.664   2.166   2.699
   30    HE3  LYS   4           HE1      LYS   4  22.093   2.284   0.994
   31    HZ1  LYS   4           HZ1      LYS   4  23.197   4.426   1.547
   32    HZ2  LYS   4           HZ2      LYS   4  23.911   3.064   2.261
   33    HZ3  LYS   4           HZ3      LYS   4  22.934   4.090   3.189
   34    HA   PRO   5           HA       PRO   5  17.199   3.160   6.250
   35    HB2  PRO   5           HB2      PRO   5  14.761   4.529   6.949
   36    HB3  PRO   5           HB1      PRO   5  16.382   4.816   7.578
   37    HG2  PRO   5           HG2      PRO   5  15.001   6.599   6.016
   38    HG3  PRO   5           HG1      PRO   5  16.768   6.544   6.136
   39    HD2  PRO   5           HD2      PRO   5  14.977   5.442   4.004
   40    HD3  PRO   5           HD1      PRO   5  16.546   6.261   3.848
   41    H    SER   6           HN       SER   6  15.697   2.565   3.636
   42    HA   SER   6           HA       SER   6  13.924   0.521   4.572
   43    HB2  SER   6           HB2      SER   6  12.817   2.911   3.085
   44    HB3  SER   6           HB1      SER   6  11.937   1.409   3.364
   45    HG   SER   6           HG       SER   6  11.977   1.805   5.552
   46    H    ARG   7           HN       ARG   7  16.171   0.230   3.257
   47    HA   ARG   7           HA       ARG   7  15.326  -0.852   0.712
   48    HB2  ARG   7           HB2      ARG   7  17.396   1.275   1.019
   49    HB3  ARG   7           HB1      ARG   7  17.692  -0.004  -0.147
   50    HG2  ARG   7           HG2      ARG   7  15.222   1.714  -0.126
   51    HG3  ARG   7           HG1      ARG   7  16.658   2.047  -1.098
   52    HD2  ARG   7           HD2      ARG   7  16.388  -0.237  -2.097
   53    HD3  ARG   7           HD1      ARG   7  14.842  -0.352  -1.259
   54    HE   ARG   7           HE       ARG   7  14.568   1.938  -2.631
   55   HH11  ARG   7          HH11      ARG   7  15.683  -1.226  -3.600
   56   HH12  ARG   7          HH12      ARG   7  15.116  -1.074  -5.239
   57   HH21  ARG   7          HH21      ARG   7  13.803   2.141  -4.797
   58   HH22  ARG   7          HH22      ARG   7  14.060   0.838  -5.910
   59    H    GLY   8           HN       GLY   8  15.834  -2.920   0.896
   60    HA2  GLY   8           HA2      GLY   8  18.485  -3.697   1.785
   61    HA3  GLY   8           HA1      GLY   8  17.161  -4.239   2.807
   62    HA   PRO   9           HA       PRO   9  17.373  -7.670  -0.078
   63    HB2  PRO   9           HB2      PRO   9  15.697  -9.131   1.751
   64    HB3  PRO   9           HB1      PRO   9  17.412  -9.358   1.416
   65    HG2  PRO   9           HG2      PRO   9  16.424  -8.439   3.804
   66    HG3  PRO   9           HG1      PRO   9  18.057  -8.102   3.205
   67    HD2  PRO   9           HD2      PRO   9  15.621  -6.364   3.153
   68    HD3  PRO   9           HD1      PRO   9  17.318  -5.928   3.457
   69    H    LEU  10           HN       LEU  10  15.791  -5.901  -1.123
   70    HA   LEU  10           HA       LEU  10  13.552  -5.415  -1.680
   71    HB2  LEU  10           HB2      LEU  10  14.738  -7.455  -3.529
   72    HB3  LEU  10           HB1      LEU  10  13.556  -6.231  -3.948
   73    HG   LEU  10           HG       LEU  10  16.396  -5.720  -3.060
   74   HD11  LEU  10          HD11      LEU  10  16.690  -4.848  -5.324
   75   HD12  LEU  10          HD12      LEU  10  15.040  -5.327  -5.721
   76   HD13  LEU  10          HD13      LEU  10  16.247  -6.555  -5.338
   77   HD21  LEU  10          HD21      LEU  10  14.844  -4.011  -2.234
   78   HD22  LEU  10          HD22      LEU  10  14.244  -3.771  -3.875
   79   HD23  LEU  10          HD23      LEU  10  15.917  -3.373  -3.481
   80    H    VAL  11           HN       VAL  11  11.695  -5.865  -0.918
   81    HA   VAL  11           HA       VAL  11  10.553  -8.553  -1.107
   82    HB   VAL  11           HB       VAL  11   9.536  -6.014   0.196
   83   HG11  VAL  11          HG11      VAL  11   7.667  -7.290  -0.679
   84   HG12  VAL  11          HG12      VAL  11   7.707  -7.364   1.083
   85   HG13  VAL  11          HG13      VAL  11   8.263  -8.741   0.131
   86   HG21  VAL  11          HG21      VAL  11  11.373  -7.134   1.383
   87   HG22  VAL  11          HG22      VAL  11  10.420  -8.621   1.423
   88   HG23  VAL  11          HG23      VAL  11   9.859  -7.189   2.286
   89    H    THR  12           HN       THR  12   9.652  -8.987  -3.059
   90    HA   THR  12           HA       THR  12   8.620  -6.899  -4.746
   91    HB   THR  12           HB       THR  12   8.486  -9.891  -5.015
   92    HG1  THR  12           HG1      THR  12   9.823  -8.361  -6.876
   93   HG21  THR  12          HG21      THR  12   7.629  -7.785  -6.994
   94   HG22  THR  12          HG22      THR  12   6.544  -8.848  -6.096
   95   HG23  THR  12          HG23      THR  12   7.662  -9.525  -7.286
   96    H    CYS  13           HN       CYS  13   6.588  -6.305  -5.090
   97    HA   CYS  13           HA       CYS  13   4.424  -7.773  -3.783
   98    HB2  CYS  13           HB2      CYS  13   4.805  -4.787  -3.530
   99    HB3  CYS  13           HB1      CYS  13   3.549  -5.760  -2.773
  100    H    THR  14           HN       THR  14   2.344  -7.300  -4.671
  101    HA   THR  14           HA       THR  14   2.367  -6.969  -7.497
  102    HB   THR  14           HB       THR  14   0.087  -7.090  -5.512
  103    HG1  THR  14           HG1      THR  14   1.299  -9.139  -7.096
  104   HG21  THR  14          HG21      THR  14  -1.342  -7.758  -7.336
  105   HG22  THR  14          HG22      THR  14  -0.008  -7.603  -8.483
  106   HG23  THR  14          HG23      THR  14  -0.649  -6.169  -7.671
  107    H    CYS  15           HN       CYS  15   3.297  -4.765  -7.599
  108    HA   CYS  15           HA       CYS  15   1.885  -2.514  -6.829
  109    HB2  CYS  15           HB2      CYS  15   4.159  -3.071  -8.454
  110    HB3  CYS  15           HB1      CYS  15   3.181  -1.841  -9.236
  111    H    GLU  16           HN       GLU  16   0.297  -1.292  -7.573
  112    HA   GLU  16           HA       GLU  16  -0.604  -1.574 -10.313
  113    HB2  GLU  16           HB2      GLU  16  -1.947  -3.119  -8.685
  114    HB3  GLU  16           HB1      GLU  16  -2.673  -1.618  -8.124
  115    HG2  GLU  16           HG2      GLU  16  -2.742  -2.663 -10.949
  116    HG3  GLU  16           HG1      GLU  16  -4.061  -2.739  -9.787
  117    H    SER  17           HN       SER  17   0.299   0.455 -10.550
  118    HA   SER  17           HA       SER  17   0.258   2.709 -10.771
  119    HB2  SER  17           HB2      SER  17  -2.350   1.951 -10.736
  120    HB3  SER  17           HB1      SER  17  -2.290   3.112  -9.409
  121    HG   SER  17           HG       SER  17  -2.058   3.519 -12.125
  122    HA   PRO  18           HA       PRO  18   0.439   3.974  -6.249
  123    HB2  PRO  18           HB2      PRO  18   1.758   2.038  -4.801
  124    HB3  PRO  18           HB1      PRO  18   0.009   2.060  -5.051
  125    HG2  PRO  18           HG2      PRO  18   1.875   0.139  -6.016
  126    HG3  PRO  18           HG1      PRO  18   0.146   0.238  -6.393
  127    HD2  PRO  18           HD2      PRO  18   2.491   1.324  -7.909
  128    HD3  PRO  18           HD1      PRO  18   0.980   0.604  -8.535
  129    H    HIS  19           HN       HIS  19   3.167   1.833  -6.190
  130    HA   HIS  19           HA       HIS  19   5.065   4.037  -6.001
  131    HB2  HIS  19           HB2      HIS  19   5.920   1.210  -5.702
  132    HB3  HIS  19           HB1      HIS  19   6.377   2.624  -4.759
  133    HD1  HIS  19           HD1      HIS  19   3.847  -0.105  -4.943
  134    HD2  HIS  19           HD2      HIS  19   4.698   3.173  -2.571
  135    HE1  HIS  19           HE1      HIS  19   2.339  -0.306  -2.946
  136    HE2  HIS  19           HE2      HIS  19   3.101   1.524  -1.400
  137    H    CYS  20           HN       CYS  20   3.646   2.179  -8.296
  138    HA   CYS  20           HA       CYS  20   6.017   2.121 -10.014
  139    HB2  CYS  20           HB2      CYS  20   4.219  -0.275  -9.912
  140    HB3  CYS  20           HB1      CYS  20   5.878  -0.157 -10.487
  141    H    LYS  21           HN       LYS  21   5.454   1.823 -12.262
  142    HA   LYS  21           HA       LYS  21   2.848   3.036 -12.788
  143    HB2  LYS  21           HB2      LYS  21   5.455   2.983 -14.221
  144    HB3  LYS  21           HB1      LYS  21   3.997   3.161 -15.182
  145    HG2  LYS  21           HG2      LYS  21   4.800   5.333 -14.791
  146    HG3  LYS  21           HG1      LYS  21   3.417   5.134 -13.721
  147    HD2  LYS  21           HD2      LYS  21   6.018   4.404 -12.556
  148    HD3  LYS  21           HD1      LYS  21   5.827   6.111 -12.955
  149    HE2  LYS  21           HE2      LYS  21   3.659   6.056 -11.685
  150    HE3  LYS  21           HE1      LYS  21   4.098   4.435 -11.145
  151    HZ1  LYS  21           HZ1      LYS  21   6.091   5.348 -10.124
  152    HZ2  LYS  21           HZ2      LYS  21   4.705   6.120  -9.517
  153    HZ3  LYS  21           HZ3      LYS  21   5.675   6.903 -10.655
  154    H    GLY  22           HN       GLY  22   2.485   0.386 -12.159
  155    HA2  GLY  22           HA2      GLY  22   0.769  -0.542 -13.882
  156    HA3  GLY  22           HA1      GLY  22   2.256  -0.894 -14.755
  157    HA   PRO  23           HA       PRO  23   2.557  -4.560 -13.105
  158    HB2  PRO  23           HB2      PRO  23   5.088  -5.074 -13.419
  159    HB3  PRO  23           HB1      PRO  23   4.134  -4.536 -14.773
  160    HG2  PRO  23           HG2      PRO  23   6.113  -3.048 -13.103
  161    HG3  PRO  23           HG1      PRO  23   5.790  -2.923 -14.844
  162    HD2  PRO  23           HD2      PRO  23   4.759  -1.240 -12.841
  163    HD3  PRO  23           HD1      PRO  23   4.196  -1.359 -14.518
  164    H    THR  24           HN       THR  24   5.689  -4.699 -11.877
  165    HA   THR  24           HA       THR  24   4.659  -4.895  -9.148
  166    HB   THR  24           HB       THR  24   6.255  -7.015  -9.099
  167    HG1  THR  24           HG1      THR  24   5.170  -7.206 -11.728
  168   HG21  THR  24          HG21      THR  24   4.293  -8.441  -9.431
  169   HG22  THR  24          HG22      THR  24   3.435  -7.094 -10.179
  170   HG23  THR  24          HG23      THR  24   3.891  -7.016  -8.476
  171    H    CYS  25           HN       CYS  25   6.533  -5.256  -7.581
  172    HA   CYS  25           HA       CYS  25   9.048  -4.163  -8.444
  173    HB2  CYS  25           HB2      CYS  25   8.920  -2.101  -7.228
  174    HB3  CYS  25           HB1      CYS  25   7.504  -2.187  -8.262
  175    H    ARG  26           HN       ARG  26  10.638  -4.546  -7.014
  176    HA   ARG  26           HA       ARG  26   9.923  -5.823  -4.477
  177    HB2  ARG  26           HB2      ARG  26  12.361  -6.629  -4.577
  178    HB3  ARG  26           HB1      ARG  26  11.176  -7.408  -5.614
  179    HG2  ARG  26           HG2      ARG  26  11.934  -5.900  -7.465
  180    HG3  ARG  26           HG1      ARG  26  13.239  -5.368  -6.399
  181    HD2  ARG  26           HD2      ARG  26  13.996  -7.141  -7.902
  182    HD3  ARG  26           HD1      ARG  26  14.039  -7.663  -6.217
  183    HE   ARG  26           HE       ARG  26  11.603  -8.357  -7.574
  184   HH11  ARG  26          HH11      ARG  26  14.922  -9.337  -7.039
  185   HH12  ARG  26          HH12      ARG  26  14.572 -11.036  -7.194
  186   HH21  ARG  26          HH21      ARG  26  11.152 -10.595  -7.806
  187   HH22  ARG  26          HH22      ARG  26  12.447 -11.740  -7.648
  188    H    GLY  27           HN       GLY  27   9.747  -4.125  -3.123
  189    HA2  GLY  27           HA2      GLY  27  11.976  -2.231  -2.993
  190    HA3  GLY  27           HA1      GLY  27  10.361  -1.960  -2.389
  191    H    ALA  28           HN       ALA  28  10.134  -2.011  -0.338
  192    HA   ALA  28           HA       ALA  28  12.267  -3.253   1.313
  193    HB1  ALA  28           HB1      ALA  28  10.348  -1.059   2.080
  194    HB2  ALA  28           HB2      ALA  28  12.009  -0.805   1.521
  195    HB3  ALA  28           HB3      ALA  28  11.709  -1.656   3.037
  196    H    TRP  29           HN       TRP  29   8.880  -2.938   0.841
  197    HA   TRP  29           HA       TRP  29   8.178  -5.298   2.195
  198    HB2  TRP  29           HB2      TRP  29   6.791  -4.183   3.999
  199    HB3  TRP  29           HB1      TRP  29   8.526  -4.084   4.253
  200    HD1  TRP  29           HD1      TRP  29   6.902  -1.648   1.835
  201    HE1  TRP  29           HE1      TRP  29   6.951   0.703   2.831
  202    HE3  TRP  29           HE3      TRP  29   8.552  -2.778   6.528
  203    HZ2  TRP  29           HZ2      TRP  29   7.626   1.967   5.246
  204    HZ3  TRP  29           HZ3      TRP  29   8.879  -0.935   8.128
  205    HH2  TRP  29           HH2      TRP  29   8.424   1.383   7.503
  206    H    CYS  30           HN       CYS  30   5.618  -5.214   2.430
  207    HA   CYS  30           HA       CYS  30   4.722  -4.183  -0.164
  208    HB2  CYS  30           HB2      CYS  30   3.585  -6.289   1.682
  209    HB3  CYS  30           HB1      CYS  30   2.708  -5.675   0.285
  210    H    THR  31           HN       THR  31   3.601  -2.277  -0.163
  211    HA   THR  31           HA       THR  31   2.018  -1.696   2.227
  212    HB   THR  31           HB       THR  31   2.363   0.741   1.483
  213    HG1  THR  31           HG1      THR  31   4.792  -0.134   0.381
  214   HG21  THR  31          HG21      THR  31   3.365  -0.234   3.504
  215   HG22  THR  31          HG22      THR  31   4.434   0.941   2.741
  216   HG23  THR  31          HG23      THR  31   4.739  -0.785   2.546
  217    H    VAL  32           HN       VAL  32  -0.034  -1.273   1.870
  218    HA   VAL  32           HA       VAL  32  -0.922  -1.005  -0.925
  219    HB   VAL  32           HB       VAL  32  -3.025  -2.119  -0.209
  220   HG11  VAL  32          HG11      VAL  32  -0.489  -3.690   0.211
  221   HG12  VAL  32          HG12      VAL  32  -1.305  -3.407  -1.326
  222   HG13  VAL  32          HG13      VAL  32  -2.080  -4.389  -0.084
  223   HG21  VAL  32          HG21      VAL  32  -2.937  -1.617   2.146
  224   HG22  VAL  32          HG22      VAL  32  -1.481  -2.607   2.329
  225   HG23  VAL  32          HG23      VAL  32  -3.015  -3.365   1.905
  226    H    VAL  33           HN       VAL  33  -2.865   0.288  -1.211
  227    HA   VAL  33           HA       VAL  33  -3.522   2.100   0.922
  228    HB   VAL  33           HB       VAL  33  -2.877   3.788  -1.278
  229   HG11  VAL  33          HG11      VAL  33  -1.689   3.572   1.469
  230   HG12  VAL  33          HG12      VAL  33  -3.107   4.514   1.006
  231   HG13  VAL  33          HG13      VAL  33  -1.514   4.946   0.380
  232   HG21  VAL  33          HG21      VAL  33  -1.202   2.143  -1.955
  233   HG22  VAL  33          HG22      VAL  33  -0.505   2.182  -0.332
  234   HG23  VAL  33          HG23      VAL  33  -0.444   3.618  -1.355
  235    H    LEU  34           HN       LEU  34  -5.654   2.027   0.743
  236    HA   LEU  34           HA       LEU  34  -6.942   2.182  -1.857
  237    HB2  LEU  34           HB2      LEU  34  -7.962   0.793  -0.082
  238    HB3  LEU  34           HB1      LEU  34  -8.101   2.205   0.945
  239    HG   LEU  34           HG       LEU  34  -9.599   3.191  -0.869
  240   HD11  LEU  34          HD11      LEU  34  -9.000   1.674  -2.666
  241   HD12  LEU  34          HD12      LEU  34 -10.727   1.593  -2.318
  242   HD13  LEU  34          HD13      LEU  34  -9.652   0.315  -1.751
  243   HD21  LEU  34          HD21      LEU  34 -10.488   0.759   0.671
  244   HD22  LEU  34          HD22      LEU  34 -11.560   1.969  -0.034
  245   HD23  LEU  34          HD23      LEU  34 -10.449   2.422   1.258
  246    H    VAL  35           HN       VAL  35  -6.556   4.137  -2.717
  247    HA   VAL  35           HA       VAL  35  -6.567   6.510  -1.058
  248    HB   VAL  35           HB       VAL  35  -6.353   6.304  -4.073
  249   HG11  VAL  35          HG11      VAL  35  -7.011   8.515  -3.342
  250   HG12  VAL  35          HG12      VAL  35  -5.339   8.541  -3.903
  251   HG13  VAL  35          HG13      VAL  35  -5.688   8.549  -2.175
  252   HG21  VAL  35          HG21      VAL  35  -3.941   6.532  -3.758
  253   HG22  VAL  35          HG22      VAL  35  -4.552   5.067  -2.991
  254   HG23  VAL  35          HG23      VAL  35  -4.161   6.478  -2.010
  255    H    ARG  36           HN       ARG  36  -8.545   6.960  -0.342
  256    HA   ARG  36           HA       ARG  36 -10.829   6.415  -2.026
  257    HB2  ARG  36           HB2      ARG  36 -10.785   7.462   0.809
  258    HB3  ARG  36           HB1      ARG  36 -12.170   6.768  -0.027
  259    HG2  ARG  36           HG2      ARG  36 -11.161   4.601  -0.048
  260    HG3  ARG  36           HG1      ARG  36  -9.642   5.254   0.565
  261    HD2  ARG  36           HD2      ARG  36 -10.791   4.174   2.372
  262    HD3  ARG  36           HD1      ARG  36 -10.830   5.915   2.645
  263    HE   ARG  36           HE       ARG  36 -13.121   4.341   1.627
  264   HH11  ARG  36          HH11      ARG  36 -11.789   6.962   3.525
  265   HH12  ARG  36          HH12      ARG  36 -13.332   7.510   4.103
  266   HH21  ARG  36          HH21      ARG  36 -15.164   5.032   2.437
  267   HH22  ARG  36          HH22      ARG  36 -15.239   6.397   3.517
  268    H    GLU  37           HN       GLU  37  -9.088   8.396  -2.697
  269    HA   GLU  37           HA       GLU  37  -8.764  10.590  -3.185
  270    HB2  GLU  37           HB2      GLU  37 -10.505  10.067  -4.767
  271    HB3  GLU  37           HB1      GLU  37 -11.743  10.355  -3.556
  272    HG2  GLU  37           HG2      GLU  37 -11.733  12.540  -3.870
  273    HG3  GLU  37           HG1      GLU  37  -9.975  12.631  -4.023
  274    H    GLU  38           HN       GLU  38 -11.925  11.349  -1.918
  275    HA   GLU  38           HA       GLU  38 -10.966  11.785   0.761
  276    HB2  GLU  38           HB2      GLU  38 -10.551  13.969  -0.453
  277    HB3  GLU  38           HB1      GLU  38 -12.287  14.066  -0.721
  278    HG2  GLU  38           HG2      GLU  38 -12.640  14.037   1.712
  279    HG3  GLU  38           HG1      GLU  38 -10.892  14.029   1.944
  280    H    GLY  39           HN       GLY  39 -12.385   9.925   0.785
  281    HA2  GLY  39           HA2      GLY  39 -14.352   8.775   0.779
  282    HA3  GLY  39           HA1      GLY  39 -15.055  10.236   1.459
  283    H    ARG  40           HN       ARG  40 -13.707   9.305  -1.708
  284    HA   ARG  40           HA       ARG  40 -16.183  10.270  -2.937
  285    HB2  ARG  40           HB2      ARG  40 -14.712  12.115  -3.048
  286    HB3  ARG  40           HB1      ARG  40 -13.347  11.100  -3.501
  287    HG2  ARG  40           HG2      ARG  40 -14.053  12.300  -5.411
  288    HG3  ARG  40           HG1      ARG  40 -14.512  10.611  -5.620
  289    HD2  ARG  40           HD2      ARG  40 -16.795  11.115  -5.008
  290    HD3  ARG  40           HD1      ARG  40 -16.360  12.788  -4.662
  291    HE   ARG  40           HE       ARG  40 -15.671  12.720  -7.181
  292   HH11  ARG  40          HH11      ARG  40 -18.458  11.170  -5.709
  293   HH12  ARG  40          HH12      ARG  40 -19.461  11.360  -7.120
  294   HH21  ARG  40          HH21      ARG  40 -16.987  12.938  -9.043
  295   HH22  ARG  40          HH22      ARG  40 -18.616  12.326  -9.017
  296    H    HIS  41           HN       HIS  41 -13.025   8.983  -4.128
  297    HA   HIS  41           HA       HIS  41 -14.473   6.703  -5.243
  298    HB2  HIS  41           HB2      HIS  41 -14.206   8.565  -6.977
  299    HB3  HIS  41           HB1      HIS  41 -12.483   8.210  -6.933
  300    HD1  HIS  41           HD1      HIS  41 -15.334   7.448  -8.859
  301    HD2  HIS  41           HD2      HIS  41 -12.150   5.189  -7.424
  302    HE1  HIS  41           HE1      HIS  41 -15.261   5.383 -10.294
  303    HE2  HIS  41           HE2      HIS  41 -13.457   3.944  -9.280
  304    HA   PRO  42           HA       PRO  42 -10.695   5.320  -2.765
  305    HB2  PRO  42           HB2      PRO  42 -12.751   3.147  -2.920
  306    HB3  PRO  42           HB1      PRO  42 -11.657   3.564  -1.597
  307    HG2  PRO  42           HG2      PRO  42 -14.233   4.323  -1.594
  308    HG3  PRO  42           HG1      PRO  42 -12.955   5.336  -0.902
  309    HD2  PRO  42           HD2      PRO  42 -14.542   5.742  -3.342
  310    HD3  PRO  42           HD1      PRO  42 -13.589   6.926  -2.408
  311    H    GLN  43           HN       GLN  43  -9.049   4.710  -3.989
  312    HA   GLN  43           HA       GLN  43  -9.440   2.507  -5.921
  313    HB2  GLN  43           HB2      GLN  43  -7.296   4.634  -6.057
  314    HB3  GLN  43           HB1      GLN  43  -7.699   3.442  -7.286
  315    HG2  GLN  43           HG2      GLN  43  -9.642   4.560  -7.906
  316    HG3  GLN  43           HG1      GLN  43  -9.701   5.484  -6.405
  317   HE21  GLN  43          HE21      GLN  43  -9.805   7.443  -7.384
  318   HE22  GLN  43          HE22      GLN  43  -8.482   8.153  -8.241
  319    H    GLU  44           HN       GLU  44  -8.422   0.677  -5.253
  320    HA   GLU  44           HA       GLU  44  -6.492   0.840  -3.082
  321    HB2  GLU  44           HB2      GLU  44  -8.434  -0.957  -3.561
  322    HB3  GLU  44           HB1      GLU  44  -7.095  -1.770  -4.363
  323    HG2  GLU  44           HG2      GLU  44  -5.900  -1.104  -2.055
  324    HG3  GLU  44           HG1      GLU  44  -7.564  -1.274  -1.498
  325    H    HIS  45           HN       HIS  45  -4.485   1.324  -3.627
  326    HA   HIS  45           HA       HIS  45  -3.318   0.037  -6.007
  327    HB2  HIS  45           HB2      HIS  45  -2.748   2.726  -4.760
  328    HB3  HIS  45           HB1      HIS  45  -1.655   1.982  -5.906
  329    HD1  HIS  45           HD1      HIS  45  -2.911   4.644  -6.630
  330    HD2  HIS  45           HD2      HIS  45  -4.635   0.992  -7.594
  331    HE1  HIS  45           HE1      HIS  45  -4.440   5.112  -8.566
  332    HE2  HIS  45           HE2      HIS  45  -5.236   2.835  -9.298
  333    H    ARG  46           HN       ARG  46  -1.871  -1.489  -5.572
  334    HA   ARG  46           HA       ARG  46  -0.798  -1.646  -2.823
  335    HB2  ARG  46           HB2      ARG  46  -1.163  -3.919  -4.768
  336    HB3  ARG  46           HB1      ARG  46  -0.876  -4.020  -3.039
  337    HG2  ARG  46           HG2      ARG  46  -3.035  -3.869  -2.564
  338    HG3  ARG  46           HG1      ARG  46  -3.276  -2.533  -3.692
  339    HD2  ARG  46           HD2      ARG  46  -3.293  -4.156  -5.556
  340    HD3  ARG  46           HD1      ARG  46  -3.168  -5.469  -4.382
  341    HE   ARG  46           HE       ARG  46  -5.310  -4.289  -3.450
  342   HH11  ARG  46          HH11      ARG  46  -4.454  -4.889  -6.789
  343   HH12  ARG  46          HH12      ARG  46  -6.093  -4.905  -7.351
  344   HH21  ARG  46          HH21      ARG  46  -7.455  -4.304  -4.144
  345   HH22  ARG  46          HH22      ARG  46  -7.821  -4.587  -5.822
  346    H    GLY  47           HN       GLY  47   1.373  -2.504  -2.545
  347    HA2  GLY  47           HA2      GLY  47   2.987  -3.648  -4.489
  348    HA3  GLY  47           HA1      GLY  47   3.170  -1.922  -4.760
  349    H    CYS  48           HN       CYS  48   5.426  -2.118  -4.268
  350    HA   CYS  48           HA       CYS  48   6.118  -2.918  -1.547
  351    HB2  CYS  48           HB2      CYS  48   8.394  -2.991  -2.347
  352    HB3  CYS  48           HB1      CYS  48   7.373  -3.901  -3.447
  353    H    GLY  49           HN       GLY  49   6.754  -1.472  -0.087
  354    HA2  GLY  49           HA2      GLY  49   7.062   1.318  -1.000
  355    HA3  GLY  49           HA1      GLY  49   6.597   0.835   0.633
  356    H    ASN  50           HN       ASN  50   9.251   1.275  -1.574
  357    HA   ASN  50           HA       ASN  50  11.068   0.022   0.280
  358    HB2  ASN  50           HB2      ASN  50  12.830   0.972  -1.364
  359    HB3  ASN  50           HB1      ASN  50  11.810  -0.371  -1.865
  360   HD21  ASN  50          HD21      ASN  50  10.243  -0.059  -3.415
  361   HD22  ASN  50          HD22      ASN  50  10.194   1.344  -4.429
  362    H    LEU  51           HN       LEU  51  12.423   2.852  -1.085
  363    HA   LEU  51           HA       LEU  51  13.081   3.670   1.589
  364    HB2  LEU  51           HB2      LEU  51  14.239   5.568   0.174
  365    HB3  LEU  51           HB1      LEU  51  14.891   3.944   0.253
  366    HG   LEU  51           HG       LEU  51  13.598   3.497  -1.919
  367   HD11  LEU  51          HD11      LEU  51  13.195   5.474  -3.312
  368   HD12  LEU  51          HD12      LEU  51  13.560   6.513  -1.933
  369   HD13  LEU  51          HD13      LEU  51  12.157   5.445  -1.887
  370   HD21  LEU  51          HD21      LEU  51  16.025   3.690  -1.791
  371   HD22  LEU  51          HD22      LEU  51  15.902   5.443  -1.936
  372   HD23  LEU  51          HD23      LEU  51  15.402   4.409  -3.275
  373    H    HIS  52           HN       HIS  52  10.330   3.916   1.233
  374    HA   HIS  52           HA       HIS  52   9.953   6.827   1.401
  375    HB2  HIS  52           HB2      HIS  52   8.297   4.838  -0.118
  376    HB3  HIS  52           HB1      HIS  52   7.553   6.292   0.536
  377    HD1  HIS  52           HD1      HIS  52   7.863   8.435  -0.753
  378    HD2  HIS  52           HD2      HIS  52  10.310   5.358  -2.118
  379    HE1  HIS  52           HE1      HIS  52   8.904   9.284  -2.878
  380    HE2  HIS  52           HE2      HIS  52  10.552   7.499  -3.556
  381    H    ARG  53           HN       ARG  53   8.626   7.539   2.991
  382    HA   ARG  53           HA       ARG  53   8.062   5.617   5.120
  383    HB2  ARG  53           HB2      ARG  53   9.581   7.578   5.514
  384    HB3  ARG  53           HB1      ARG  53   8.198   8.631   5.261
  385    HG2  ARG  53           HG2      ARG  53   8.625   8.330   7.620
  386    HG3  ARG  53           HG1      ARG  53   7.075   7.608   7.179
  387    HD2  ARG  53           HD2      ARG  53   8.457   6.206   8.704
  388    HD3  ARG  53           HD1      ARG  53   8.022   5.413   7.188
  389    HE   ARG  53           HE       ARG  53  10.599   6.760   7.228
  390   HH11  ARG  53          HH11      ARG  53   8.875   3.743   7.717
  391   HH12  ARG  53          HH12      ARG  53  10.266   2.757   7.362
  392   HH21  ARG  53          HH21      ARG  53  12.394   5.474   6.753
  393   HH22  ARG  53          HH22      ARG  53  12.256   3.741   6.775
  394    H    GLU  54           HN       GLU  54   6.561   7.940   3.019
  395    HA   GLU  54           HA       GLU  54   4.232   8.491   4.514
  396    HB2  GLU  54           HB2      GLU  54   3.322   9.348   2.390
  397    HB3  GLU  54           HB1      GLU  54   4.954   9.928   2.688
  398    HG2  GLU  54           HG2      GLU  54   4.618   7.476   1.053
  399    HG3  GLU  54           HG1      GLU  54   4.187   9.021   0.336
  400    H    LEU  55           HN       LEU  55   5.159   5.778   2.696
  401    HA   LEU  55           HA       LEU  55   2.580   4.895   1.870
  402    HB2  LEU  55           HB2      LEU  55   5.141   3.327   2.137
  403    HB3  LEU  55           HB1      LEU  55   3.736   2.881   1.183
  404    HG   LEU  55           HG       LEU  55   5.418   5.334   0.682
  405   HD11  LEU  55          HD11      LEU  55   6.297   4.117  -1.242
  406   HD12  LEU  55          HD12      LEU  55   5.416   2.677  -0.730
  407   HD13  LEU  55          HD13      LEU  55   6.711   3.323   0.278
  408   HD21  LEU  55          HD21      LEU  55   3.121   5.564  -0.075
  409   HD22  LEU  55          HD22      LEU  55   3.234   4.029  -0.936
  410   HD23  LEU  55          HD23      LEU  55   4.214   5.402  -1.450
  411    H    CYS  56           HN       CYS  56   4.055   5.002   4.845
  412    HA   CYS  56           HA       CYS  56   2.133   3.033   5.891
  413    HB2  CYS  56           HB2      CYS  56   5.048   3.295   6.640
  414    HB3  CYS  56           HB1      CYS  56   3.874   2.492   7.677
  415    H    ARG  57           HN       ARG  57   2.647   6.157   5.732
  416    HA   ARG  57           HA       ARG  57   1.570   6.988   8.169
  417    HB2  ARG  57           HB2      ARG  57   3.864   5.961   8.877
  418    HB3  ARG  57           HB1      ARG  57   4.538   7.448   8.227
  419    HG2  ARG  57           HG2      ARG  57   4.283   7.769  10.554
  420    HG3  ARG  57           HG1      ARG  57   3.005   8.703   9.771
  421    HD2  ARG  57           HD2      ARG  57   2.174   7.481  11.727
  422    HD3  ARG  57           HD1      ARG  57   1.401   6.941  10.237
  423    HE   ARG  57           HE       ARG  57   3.656   5.325  10.796
  424   HH11  ARG  57          HH11      ARG  57   0.370   5.910  11.898
  425   HH12  ARG  57          HH12      ARG  57   0.164   4.290  12.505
  426   HH21  ARG  57          HH21      ARG  57   3.346   3.186  11.592
  427   HH22  ARG  57          HH22      ARG  57   1.832   2.770  12.341
  428    H    GLY  58           HN       GLY  58   1.652   7.719   5.322
  429    HA2  GLY  58           HA2      GLY  58   2.994  10.248   5.123
  430    HA3  GLY  58           HA1      GLY  58   1.832   9.591   3.979
  431    H    ARG  59           HN       ARG  59  -0.460   9.531   4.820
  432    HA   ARG  59           HA       ARG  59  -1.018  11.936   6.433
  433    HB2  ARG  59           HB2      ARG  59  -2.696  10.786   4.187
  434    HB3  ARG  59           HB1      ARG  59  -3.089  12.210   5.139
  435    HG2  ARG  59           HG2      ARG  59  -0.719  11.923   3.308
  436    HG3  ARG  59           HG1      ARG  59  -2.204  12.806   2.948
  437    HD2  ARG  59           HD2      ARG  59  -1.766  14.388   4.680
  438    HD3  ARG  59           HD1      ARG  59  -0.418  13.428   5.289
  439    HE   ARG  59           HE       ARG  59  -0.007  14.177   2.579
  440   HH11  ARG  59          HH11      ARG  59   0.027  15.499   5.828
  441   HH12  ARG  59          HH12      ARG  59   1.314  16.628   5.492
  442   HH21  ARG  59          HH21      ARG  59   1.667  15.647   2.127
  443   HH22  ARG  59          HH22      ARG  59   2.246  16.713   3.377
  444    HA   PRO  60           HA       PRO  60  -2.976   8.756   8.924
  445    HB2  PRO  60           HB2      PRO  60  -3.318  10.746  10.976
  446    HB3  PRO  60           HB1      PRO  60  -2.181   9.398  10.941
  447    HG2  PRO  60           HG2      PRO  60  -1.451  12.045  10.791
  448    HG3  PRO  60           HG1      PRO  60  -0.474  10.698  10.182
  449    HD2  PRO  60           HD2      PRO  60  -2.255  12.583   8.687
  450    HD3  PRO  60           HD1      PRO  60  -0.684  11.895   8.217
  451    H    THR  61           HN       THR  61  -4.814   8.852   7.454
  452    HA   THR  61           HA       THR  61  -7.115  10.008   8.757
  453    HB   THR  61           HB       THR  61  -6.425  11.871   7.375
  454    HG1  THR  61           HG1      THR  61  -8.511  12.081   7.190
  455   HG21  THR  61          HG21      THR  61  -6.321  11.702   4.936
  456   HG22  THR  61          HG22      THR  61  -6.598   9.965   5.050
  457   HG23  THR  61          HG23      THR  61  -5.122  10.665   5.711
  458    H    GLU  62           HN       GLU  62  -9.023   9.619   6.917
  459    HA   GLU  62           HA       GLU  62  -9.107   6.703   7.030
  460    HB2  GLU  62           HB2      GLU  62 -10.822   8.042   8.201
  461    HB3  GLU  62           HB1      GLU  62 -11.318   8.714   6.655
  462    HG2  GLU  62           HG2      GLU  62 -11.940   6.459   5.897
  463    HG3  GLU  62           HG1      GLU  62 -11.504   5.829   7.486
  464    H    PHE  63           HN       PHE  63  -8.874   9.226   4.683
  465    HA   PHE  63           HA       PHE  63 -10.093   7.564   2.625
  466    HB2  PHE  63           HB2      PHE  63  -9.773   9.481   1.109
  467    HB3  PHE  63           HB1      PHE  63 -10.655   9.936   2.561
  468    HD1  PHE  63           HD2      PHE  63  -7.302  10.066   0.975
  469    HD2  PHE  63           HD1      PHE  63  -9.925  11.683   3.912
  470    HE1  PHE  63           HE2      PHE  63  -5.731  11.917   1.354
  471    HE2  PHE  63           HE1      PHE  63  -8.355  13.538   4.289
  472    HZ   PHE  63           HZ       PHE  63  -6.258  13.658   3.007
  473    H    VAL  64           HN       VAL  64  -7.432   7.167   4.122
  474    HA   VAL  64           HA       VAL  64  -6.086   6.049   1.863
  475    HB   VAL  64           HB       VAL  64  -5.156   8.265   1.639
  476   HG11  VAL  64          HG11      VAL  64  -5.503   9.117   3.881
  477   HG12  VAL  64          HG12      VAL  64  -3.818   9.315   3.396
  478   HG13  VAL  64          HG13      VAL  64  -4.271   8.023   4.508
  479   HG21  VAL  64          HG21      VAL  64  -3.667   6.432   1.152
  480   HG22  VAL  64          HG22      VAL  64  -3.175   6.342   2.843
  481   HG23  VAL  64          HG23      VAL  64  -2.759   7.759   1.880
  482    H    ASN  65           HN       ASN  65  -6.151   4.101   2.757
  483    HA   ASN  65           HA       ASN  65  -5.298   3.719   5.524
  484    HB2  ASN  65           HB2      ASN  65  -6.274   1.419   5.222
  485    HB3  ASN  65           HB1      ASN  65  -7.430   2.720   4.985
  486   HD21  ASN  65          HD21      ASN  65  -7.881   0.162   4.009
  487   HD22  ASN  65          HD22      ASN  65  -7.849   0.211   2.272
  488    H    HIS  66           HN       HIS  66  -3.053   4.224   4.774
  489    HA   HIS  66           HA       HIS  66  -1.672   2.411   3.109
  490    HB2  HIS  66           HB2      HIS  66   0.388   3.399   4.330
  491    HB3  HIS  66           HB1      HIS  66  -0.582   4.452   3.317
  492    HD1  HIS  66           HD1      HIS  66  -1.079   3.488   6.974
  493    HD2  HIS  66           HD2      HIS  66  -0.503   6.824   4.565
  494    HE1  HIS  66           HE1      HIS  66  -1.358   5.472   8.499
  495    HE2  HIS  66           HE2      HIS  66  -1.323   7.459   6.946
  496    H    TYR  67           HN       TYR  67  -1.626   0.358   3.531
  497    HA   TYR  67           HA       TYR  67  -1.026  -0.538   6.279
  498    HB2  TYR  67           HB2      TYR  67  -3.185  -1.322   5.360
  499    HB3  TYR  67           HB1      TYR  67  -2.333  -2.043   4.002
  500    HD1  TYR  67           HD1      TYR  67  -2.971  -2.286   7.613
  501    HD2  TYR  67           HD2      TYR  67  -1.209  -4.150   4.223
  502    HE1  TYR  67           HE1      TYR  67  -2.717  -4.361   8.897
  503    HE2  TYR  67           HE2      TYR  67  -0.954  -6.238   5.497
  504    HH   TYR  67           HH       TYR  67  -2.475  -6.763   8.497
  505    H    CYS  68           HN       CYS  68   0.561  -2.253   6.518
  506    HA   CYS  68           HA       CYS  68   2.392  -2.461   4.239
  507    HB2  CYS  68           HB2      CYS  68   3.544  -2.088   6.971
  508    HB3  CYS  68           HB1      CYS  68   4.209  -1.637   5.405
  509    H    CYS  69           HN       CYS  69   3.737  -4.384   4.298
  510    HA   CYS  69           HA       CYS  69   3.236  -6.283   6.449
  511    HB2  CYS  69           HB2      CYS  69   1.648  -6.751   4.508
  512    HB3  CYS  69           HB1      CYS  69   3.082  -7.012   3.526
  513    H    ASP  70           HN       ASP  70   4.867  -8.158   6.084
  514    HA   ASP  70           HA       ASP  70   7.392  -6.866   5.257
  515    HB2  ASP  70           HB2      ASP  70   6.980  -8.695   7.631
  516    HB3  ASP  70           HB1      ASP  70   8.516  -8.004   7.124
  517    H    SER  71           HN       SER  71   5.684  -8.734   3.762
  518    HA   SER  71           HA       SER  71   7.670 -10.828   3.322
  519    HB2  SER  71           HB2      SER  71   4.693 -11.382   3.448
  520    HB3  SER  71           HB1      SER  71   5.979 -12.561   3.196
  521    HG   SER  71           HG       SER  71   5.073 -12.360   5.396
  522    H    HIS  72           HN       HIS  72   7.849 -11.437   1.149
  523    HA   HIS  72           HA       HIS  72   6.902  -9.519  -0.719
  524    HB2  HIS  72           HB2      HIS  72   8.064 -10.761  -2.412
  525    HB3  HIS  72           HB1      HIS  72   9.067 -10.730  -0.971
  526    HD1  HIS  72           HD1      HIS  72   8.433 -12.901  -3.553
  527    HD2  HIS  72           HD2      HIS  72   8.256 -13.368   0.578
  528    HE1  HIS  72           HE1      HIS  72   8.670 -15.369  -3.136
  529    HE2  HIS  72           HE2      HIS  72   8.764 -15.599  -0.624
  530    H    LEU  73           HN       LEU  73   5.303  -9.584  -2.169
  531    HA   LEU  73           HA       LEU  73   3.294 -10.118  -3.099
  532    HB2  LEU  73           HB2      LEU  73   3.991 -12.983  -2.451
  533    HB3  LEU  73           HB1      LEU  73   2.803 -12.434  -3.618
  534    HG   LEU  73           HG       LEU  73   5.799 -12.178  -3.812
  535   HD11  LEU  73          HD11      LEU  73   4.934 -14.378  -4.367
  536   HD12  LEU  73          HD12      LEU  73   5.503 -13.549  -5.816
  537   HD13  LEU  73          HD13      LEU  73   3.775 -13.657  -5.483
  538   HD21  LEU  73          HD21      LEU  73   3.671 -11.070  -5.636
  539   HD22  LEU  73          HD22      LEU  73   5.398 -11.116  -5.988
  540   HD23  LEU  73          HD23      LEU  73   4.798 -10.140  -4.646
  541    H    CYS  74           HN       CYS  74   3.206  -9.269  -0.532
  542    HA   CYS  74           HA       CYS  74   1.437 -11.105   0.936
  543    HB2  CYS  74           HB2      CYS  74   3.416 -10.270   2.183
  544    HB3  CYS  74           HB1      CYS  74   2.859  -8.618   1.939
  545    H    ASN  75           HN       ASN  75   1.667  -8.043  -0.645
  546    HA   ASN  75           HA       ASN  75  -0.848  -7.021   0.230
  547    HB2  ASN  75           HB2      ASN  75  -0.480  -5.307  -1.390
  548    HB3  ASN  75           HB1      ASN  75   1.099  -5.694  -0.706
  549   HD21  ASN  75          HD21      ASN  75  -0.900  -5.770  -3.497
  550   HD22  ASN  75          HD22      ASN  75   0.309  -6.305  -4.607
  551    H    HIS  76           HN       HIS  76  -0.016  -9.552  -1.833
  552    HA   HIS  76           HA       HIS  76  -1.912  -9.011  -3.901
  553    HB2  HIS  76           HB2      HIS  76   0.274 -10.259  -4.218
  554    HB3  HIS  76           HB1      HIS  76  -0.516 -11.640  -3.463
  555    HD1  HIS  76           HD1      HIS  76  -2.842  -9.739  -5.562
  556    HD2  HIS  76           HD2      HIS  76  -0.081 -12.818  -6.108
  557    HE1  HIS  76           HE1      HIS  76  -3.396 -10.773  -7.784
  558    HE2  HIS  76           HE2      HIS  76  -1.634 -12.527  -8.160
  559    H    ASN  77           HN       ASN  77  -2.681  -9.490  -1.039
  560    HA   ASN  77           HA       ASN  77  -5.219 -10.605  -1.487
  561    HB2  ASN  77           HB2      ASN  77  -5.090 -12.653  -0.146
  562    HB3  ASN  77           HB1      ASN  77  -4.002 -12.755  -1.523
  563   HD21  ASN  77          HD21      ASN  77  -4.265 -12.628   1.912
  564   HD22  ASN  77          HD22      ASN  77  -2.601 -12.946   2.259
  565    H    VAL  78           HN       VAL  78  -3.855  -8.359  -0.347
  566    HA   VAL  78           HA       VAL  78  -3.770  -8.547   2.500
  567    HB   VAL  78           HB       VAL  78  -2.320  -7.030   1.219
  568   HG11  VAL  78          HG11      VAL  78  -4.864  -5.523   0.633
  569   HG12  VAL  78          HG12      VAL  78  -3.866  -6.390  -0.534
  570   HG13  VAL  78          HG13      VAL  78  -3.233  -4.956   0.277
  571   HG21  VAL  78          HG21      VAL  78  -2.593  -5.029   2.623
  572   HG22  VAL  78          HG22      VAL  78  -2.702  -6.525   3.552
  573   HG23  VAL  78          HG23      VAL  78  -4.166  -5.627   3.144
  574    H    SER  79           HN       SER  79  -5.151  -7.574   4.009
  575    HA   SER  79           HA       SER  79  -7.740  -6.736   2.930
  576    HB2  SER  79           HB2      SER  79  -8.689  -7.491   5.104
  577    HB3  SER  79           HB1      SER  79  -8.027  -8.747   4.089
  578    HG   SER  79           HG       SER  79  -6.327  -7.607   5.984
  579    H    LEU  80           HN       LEU  80  -7.104  -4.669   2.741
  580    HA   LEU  80           HA       LEU  80  -6.647  -3.186   5.223
  581    HB2  LEU  80           HB2      LEU  80  -5.317  -1.675   4.054
  582    HB3  LEU  80           HB1      LEU  80  -4.889  -3.240   3.376
  583    HG   LEU  80           HG       LEU  80  -6.987  -1.565   2.036
  584   HD11  LEU  80          HD11      LEU  80  -4.948  -0.137   2.332
  585   HD12  LEU  80          HD12      LEU  80  -5.392  -0.467   0.658
  586   HD13  LEU  80          HD13      LEU  80  -4.047  -1.340   1.396
  587   HD21  LEU  80          HD21      LEU  80  -6.965  -3.582   1.029
  588   HD22  LEU  80          HD22      LEU  80  -5.269  -3.875   1.401
  589   HD23  LEU  80          HD23      LEU  80  -5.707  -2.782   0.085
  590    H    VAL  81           HN       VAL  81  -8.597  -3.610   2.469
  591    HA   VAL  81           HA       VAL  81  -9.351  -0.909   2.110
  592    HB   VAL  81           HB       VAL  81  -9.058  -2.354   0.216
  593   HG11  VAL  81          HG11      VAL  81 -10.522  -4.259  -0.236
  594   HG12  VAL  81          HG12      VAL  81 -11.315  -4.025   1.321
  595   HG13  VAL  81          HG13      VAL  81  -9.614  -4.489   1.259
  596   HG21  VAL  81          HG21      VAL  81 -11.180  -1.996  -0.965
  597   HG22  VAL  81          HG22      VAL  81 -10.677  -0.577  -0.046
  598   HG23  VAL  81          HG23      VAL  81 -11.956  -1.620   0.575
  599    H    LEU  82           HN       LEU  82 -10.995   0.137   2.914
  600    HA   LEU  82           HA       LEU  82 -13.017  -1.046   4.531
  601    HB2  LEU  82           HB2      LEU  82 -12.847   1.675   3.215
  602    HB3  LEU  82           HB1      LEU  82 -14.151   1.195   4.279
  603    HG   LEU  82           HG       LEU  82 -12.433   0.869   6.095
  604   HD11  LEU  82          HD11      LEU  82 -10.275   1.984   5.846
  605   HD12  LEU  82          HD12      LEU  82 -10.636   2.314   4.151
  606   HD13  LEU  82          HD13      LEU  82 -10.444   0.651   4.703
  607   HD21  LEU  82          HD21      LEU  82 -12.243   3.253   6.579
  608   HD22  LEU  82          HD22      LEU  82 -13.852   2.845   5.985
  609   HD23  LEU  82          HD23      LEU  82 -12.689   3.632   4.916
  610    H    GLU  83           HN       GLU  83 -13.735  -2.711   3.203
  611    HA   GLU  83           HA       GLU  83 -15.310  -1.955   0.823
  612    HB2  GLU  83           HB2      GLU  83 -12.807  -3.155   0.817
  613    HB3  GLU  83           HB1      GLU  83 -13.916  -4.533   0.685
  614    HG2  GLU  83           HG2      GLU  83 -13.982  -2.128  -1.125
  615    HG3  GLU  83           HG1      GLU  83 -13.111  -3.614  -1.484
  616    H    ALA  84           HN       ALA  84 -16.212  -4.456   0.161
  617    HA   ALA  84           HA       ALA  84 -18.456  -4.942   1.519
  618    HB1  ALA  84           HB1      ALA  84 -17.787  -6.087  -0.544
  619    HB2  ALA  84           HB2      ALA  84 -18.472  -7.193   0.646
  620    HB3  ALA  84           HB3      ALA  84 -16.725  -7.135   0.398
  621    H    THR  85           HN       THR  85 -19.206  -5.891   3.315
  622    HA   THR  85           HA       THR  85 -17.395  -6.448   5.457
  623    HB   THR  85           HB       THR  85 -20.332  -7.123   5.457
  624    HG1  THR  85           HG1      THR  85 -19.123  -4.549   5.850
  625   HG21  THR  85          HG21      THR  85 -20.152  -6.517   7.825
  626   HG22  THR  85          HG22      THR  85 -18.446  -6.129   7.600
  627   HG23  THR  85          HG23      THR  85 -19.006  -7.791   7.409
  628    H    GLN  86           HN       GLN  86 -16.162  -8.182   4.811
  629    HA   GLN  86           HA       GLN  86 -17.188 -10.842   4.874
  630    HB2  GLN  86           HB2      GLN  86 -16.255  -9.693   2.220
  631    HB3  GLN  86           HB1      GLN  86 -16.418 -11.410   2.542
  632    HG2  GLN  86           HG2      GLN  86 -18.799 -11.179   2.815
  633    HG3  GLN  86           HG1      GLN  86 -18.680  -9.429   2.639
  634   HE21  GLN  86          HE21      GLN  86 -20.016  -9.352   0.865
  635   HE22  GLN  86          HE22      GLN  86 -19.530  -9.932  -0.690
  636    HA   PRO  87           HA       PRO  87 -12.722 -11.545   5.484
  637    HB2  PRO  87           HB2      PRO  87 -12.749 -13.630   3.377
  638    HB3  PRO  87           HB1      PRO  87 -12.254 -13.749   5.069
  639    HG2  PRO  87           HG2      PRO  87 -14.537 -14.845   4.227
  640    HG3  PRO  87           HG1      PRO  87 -14.421 -14.072   5.818
  641    HD2  PRO  87           HD2      PRO  87 -15.621 -13.023   3.285
  642    HD3  PRO  87           HD1      PRO  87 -16.214 -12.885   4.954
  643    HA   PRO  88           HA       PRO  88 -11.822  -9.042   1.851
  644    HB2  PRO  88           HB2      PRO  88  -9.950  -7.519   3.355
  645    HB3  PRO  88           HB1      PRO  88 -11.612  -7.089   2.956
  646    HG2  PRO  88           HG2      PRO  88 -10.640  -7.661   5.512
  647    HG3  PRO  88           HG1      PRO  88 -12.345  -7.617   5.042
  648    HD2  PRO  88           HD2      PRO  88 -10.537  -9.921   5.428
  649    HD3  PRO  88           HD1      PRO  88 -12.283  -9.777   5.716
  650    H    SER  89           HN       SER  89 -10.360  -9.275   0.318
  651    HA   SER  89           HA       SER  89  -7.575  -9.713   0.839
  652    HB2  SER  89           HB2      SER  89  -9.189 -11.916  -0.487
  653    HB3  SER  89           HB1      SER  89  -7.429 -11.860  -0.392
  654    HG   SER  89           HG       SER  89  -8.606 -11.534   2.044
  655    H    GLU  90           HN       GLU  90  -7.292  -7.848  -0.374
  656    HA   GLU  90           HA       GLU  90  -6.823  -6.653  -2.251
  657    HB2  GLU  90           HB2      GLU  90  -5.684  -8.819  -2.820
  658    HB3  GLU  90           HB1      GLU  90  -7.124  -9.285  -3.709
  659    HG2  GLU  90           HG2      GLU  90  -6.809  -7.546  -5.287
  660    HG3  GLU  90           HG1      GLU  90  -5.522  -6.823  -4.323
  661    H    GLN  91           HN       GLN  91  -8.557  -5.300  -2.412
  662    HA   GLN  91           HA       GLN  91 -10.847  -6.199  -4.016
  663    HB2  GLN  91           HB2      GLN  91 -10.992  -4.948  -1.286
  664    HB3  GLN  91           HB1      GLN  91 -12.316  -4.795  -2.431
  665    HG2  GLN  91           HG2      GLN  91 -11.196  -7.366  -1.334
  666    HG3  GLN  91           HG1      GLN  91 -12.718  -6.604  -0.870
  667   HE21  GLN  91          HE21      GLN  91 -14.422  -6.509  -2.438
  668   HE22  GLN  91          HE22      GLN  91 -14.480  -7.673  -3.722
  669    HA   PRO  92           HA       PRO  92  -9.411  -2.213  -5.644
  670    HB2  PRO  92           HB2      PRO  92 -10.591  -3.032  -8.159
  671    HB3  PRO  92           HB1      PRO  92  -8.890  -2.785  -7.763
  672    HG2  PRO  92           HG2      PRO  92  -9.970  -5.236  -8.289
  673    HG3  PRO  92           HG1      PRO  92  -8.555  -4.989  -7.251
  674    HD2  PRO  92           HD2      PRO  92 -11.412  -5.455  -6.482
  675    HD3  PRO  92           HD1      PRO  92  -9.925  -6.105  -5.751
  676    H    GLY  93           HN       GLY  93 -10.817  -0.754  -4.718
  677    HA2  GLY  93           HA2      GLY  93 -12.455   0.874  -4.986
  678    HA3  GLY  93           HA1      GLY  93 -13.111  -0.047  -6.329
  679    H    THR  94           HN       THR  94 -13.509   0.808  -3.067
  680    HA   THR  94           HA       THR  94 -14.965  -1.314  -2.048
  681    HB   THR  94           HB       THR  94 -14.173   0.623  -0.719
  682    HG1  THR  94           HG1      THR  94 -15.632  -0.096   0.620
  683   HG21  THR  94          HG21      THR  94 -15.508   2.682  -0.673
  684   HG22  THR  94          HG22      THR  94 -16.482   2.078  -2.013
  685   HG23  THR  94          HG23      THR  94 -14.770   2.423  -2.256
  686    H    ASP  95           HN       ASP  95 -17.163  -1.694  -1.832
  687    HA   ASP  95           HA       ASP  95 -19.384  -1.717  -2.304
  688    HB2  ASP  95           HB2      ASP  95 -19.204   0.808  -2.150
  689    HB3  ASP  95           HB1      ASP  95 -19.008   0.826  -3.898
  690    H    GLY  96           HN       GLY  96 -16.928  -1.987  -4.423
  691    HA2  GLY  96           HA2      GLY  96 -18.345  -2.246  -6.897
  692    HA3  GLY  96           HA1      GLY  96 -16.679  -2.709  -6.590
  693    H    GLN  97           HN       GLN  97 -17.427  -4.456  -4.308
  694    HA   GLN  97           HA       GLN  97 -18.730  -6.594  -5.864
  695    HB2  GLN  97           HB2      GLN  97 -16.240  -6.829  -5.868
  696    HB3  GLN  97           HB1      GLN  97 -16.298  -6.996  -4.118
  697    HG2  GLN  97           HG2      GLN  97 -17.541  -9.025  -4.283
  698    HG3  GLN  97           HG1      GLN  97 -17.746  -8.817  -6.022
  699   HE21  GLN  97          HE21      GLN  97 -15.569  -9.727  -3.473
  700   HE22  GLN  97          HE22      GLN  97 -14.347 -10.402  -4.496
  Start of MODEL    4
    1    H    ASP   1           HN       ASP   1  18.719  12.257   7.955
    2    HA   ASP   1           HA       ASP   1  20.537  10.631   9.609
    3    HB2  ASP   1           HB2      ASP   1  18.330  11.166  10.651
    4    HB3  ASP   1           HB1      ASP   1  17.541  10.323   9.323
    5    HA   PRO   2           HA       PRO   2  20.729   8.462   5.668
    6    HB2  PRO   2           HB2      PRO   2  22.970   7.064   6.229
    7    HB3  PRO   2           HB1      PRO   2  23.000   8.763   5.744
    8    HG2  PRO   2           HG2      PRO   2  23.241   7.566   8.469
    9    HG3  PRO   2           HG1      PRO   2  24.124   8.928   7.760
   10    HD2  PRO   2           HD2      PRO   2  22.011   9.210   9.478
   11    HD3  PRO   2           HD1      PRO   2  22.465  10.423   8.264
   12    H    VAL   3           HN       VAL   3  19.241   6.934   5.469
   13    HA   VAL   3           HA       VAL   3  19.217   4.666   7.317
   14    HB   VAL   3           HB       VAL   3  17.051   4.078   6.290
   15   HG11  VAL   3          HG11      VAL   3  15.764   5.983   7.177
   16   HG12  VAL   3          HG12      VAL   3  17.254   6.922   7.271
   17   HG13  VAL   3          HG13      VAL   3  17.059   5.476   8.261
   18   HG21  VAL   3          HG21      VAL   3  17.442   6.608   4.688
   19   HG22  VAL   3          HG22      VAL   3  15.951   5.669   4.767
   20   HG23  VAL   3          HG23      VAL   3  17.401   4.962   4.057
   21    H    LYS   4           HN       LYS   4  18.892   2.500   6.356
   22    HA   LYS   4           HA       LYS   4  20.795   2.051   4.254
   23    HB2  LYS   4           HB2      LYS   4  18.976   0.090   5.668
   24    HB3  LYS   4           HB1      LYS   4  20.347  -0.324   4.648
   25    HG2  LYS   4           HG2      LYS   4  20.485   1.181   7.255
   26    HG3  LYS   4           HG1      LYS   4  20.896  -0.518   7.010
   27    HD2  LYS   4           HD2      LYS   4  22.719   0.071   5.563
   28    HD3  LYS   4           HD1      LYS   4  22.251   1.772   5.589
   29    HE2  LYS   4           HE2      LYS   4  24.157   1.355   7.057
   30    HE3  LYS   4           HE1      LYS   4  22.748   1.877   7.977
   31    HZ1  LYS   4           HZ1      LYS   4  23.896   0.030   9.039
   32    HZ2  LYS   4           HZ2      LYS   4  23.649  -0.937   7.666
   33    HZ3  LYS   4           HZ3      LYS   4  22.325  -0.414   8.583
   34    HA   PRO   5           HA       PRO   5  17.826   2.371   0.973
   35    HB2  PRO   5           HB2      PRO   5  19.397   1.406  -1.021
   36    HB3  PRO   5           HB1      PRO   5  19.587   3.027  -0.344
   37    HG2  PRO   5           HG2      PRO   5  21.132   0.533   0.248
   38    HG3  PRO   5           HG1      PRO   5  21.725   2.187   0.002
   39    HD2  PRO   5           HD2      PRO   5  21.427   1.103   2.463
   40    HD3  PRO   5           HD1      PRO   5  21.190   2.834   2.150
   41    H    SER   6           HN       SER   6  16.973   0.399   2.422
   42    HA   SER   6           HA       SER   6  16.110  -1.544   0.536
   43    HB2  SER   6           HB2      SER   6  16.895  -3.470   2.107
   44    HB3  SER   6           HB1      SER   6  18.033  -2.783   0.949
   45    HG   SER   6           HG       SER   6  19.237  -2.271   2.570
   46    H    ARG   7           HN       ARG   7  16.146  -0.245   3.739
   47    HA   ARG   7           HA       ARG   7  14.888  -0.610   5.611
   48    HB2  ARG   7           HB2      ARG   7  13.605   1.035   4.399
   49    HB3  ARG   7           HB1      ARG   7  12.824  -0.207   3.440
   50    HG2  ARG   7           HG2      ARG   7  11.491   0.880   5.325
   51    HG3  ARG   7           HG1      ARG   7  11.453  -0.877   5.197
   52    HD2  ARG   7           HD2      ARG   7  13.638  -0.070   6.874
   53    HD3  ARG   7           HD1      ARG   7  12.141   0.677   7.437
   54    HE   ARG   7           HE       ARG   7  11.628  -2.016   6.873
   55   HH11  ARG   7          HH11      ARG   7  13.513  -0.152   9.181
   56   HH12  ARG   7          HH12      ARG   7  13.338  -1.338  10.447
   57   HH21  ARG   7          HH21      ARG   7  11.396  -3.530   8.511
   58   HH22  ARG   7          HH22      ARG   7  12.111  -3.255  10.074
   59    H    GLY   8           HN       GLY   8  15.672  -2.850   5.755
   60    HA2  GLY   8           HA2      GLY   8  15.002  -4.974   6.482
   61    HA3  GLY   8           HA1      GLY   8  13.441  -4.720   5.714
   62    HA   PRO   9           HA       PRO   9  15.553  -7.440   2.761
   63    HB2  PRO   9           HB2      PRO   9  13.535  -9.166   2.414
   64    HB3  PRO   9           HB1      PRO   9  14.543  -9.202   3.863
   65    HG2  PRO   9           HG2      PRO   9  11.760  -8.254   3.527
   66    HG3  PRO   9           HG1      PRO   9  12.564  -8.905   4.965
   67    HD2  PRO   9           HD2      PRO   9  12.100  -6.162   4.311
   68    HD3  PRO   9           HD1      PRO   9  12.983  -6.811   5.706
   69    H    LEU  10           HN       LEU  10  15.348  -7.686   0.502
   70    HA   LEU  10           HA       LEU  10  13.580  -5.784  -0.772
   71    HB2  LEU  10           HB2      LEU  10  15.955  -7.360  -1.542
   72    HB3  LEU  10           HB1      LEU  10  14.805  -7.063  -2.827
   73    HG   LEU  10           HG       LEU  10  16.741  -5.412  -2.591
   74   HD11  LEU  10          HD11      LEU  10  15.323  -3.500  -3.156
   75   HD12  LEU  10          HD12      LEU  10  13.914  -4.365  -2.543
   76   HD13  LEU  10          HD13      LEU  10  14.770  -4.968  -3.962
   77   HD21  LEU  10          HD21      LEU  10  16.456  -3.628  -0.968
   78   HD22  LEU  10          HD22      LEU  10  16.624  -5.180  -0.143
   79   HD23  LEU  10          HD23      LEU  10  15.033  -4.432  -0.307
   80    H    VAL  11           HN       VAL  11  11.529  -6.521  -0.686
   81    HA   VAL  11           HA       VAL  11  10.957  -9.192  -1.716
   82    HB   VAL  11           HB       VAL  11   9.094  -9.253  -0.405
   83   HG11  VAL  11          HG11      VAL  11  10.749  -7.265   1.107
   84   HG12  VAL  11          HG12      VAL  11  10.971  -9.018   1.102
   85   HG13  VAL  11          HG13      VAL  11   9.510  -8.312   1.797
   86   HG21  VAL  11          HG21      VAL  11   8.928  -6.253  -0.385
   87   HG22  VAL  11          HG22      VAL  11   7.788  -7.353   0.392
   88   HG23  VAL  11          HG23      VAL  11   7.945  -7.344  -1.364
   89    H    THR  12           HN       THR  12   9.745  -9.444  -3.577
   90    HA   THR  12           HA       THR  12   8.935  -7.107  -5.059
   91    HB   THR  12           HB       THR  12   8.440 -10.040  -5.554
   92    HG1  THR  12           HG1      THR  12   9.834  -8.403  -7.336
   93   HG21  THR  12          HG21      THR  12   6.542  -8.730  -6.374
   94   HG22  THR  12          HG22      THR  12   7.477  -9.424  -7.705
   95   HG23  THR  12          HG23      THR  12   7.653  -7.716  -7.298
   96    H    CYS  13           HN       CYS  13   7.003  -6.155  -5.004
   97    HA   CYS  13           HA       CYS  13   4.766  -7.671  -3.851
   98    HB2  CYS  13           HB2      CYS  13   5.315  -4.705  -3.632
   99    HB3  CYS  13           HB1      CYS  13   3.830  -5.487  -3.104
  100    H    THR  14           HN       THR  14   3.048  -7.877  -5.137
  101    HA   THR  14           HA       THR  14   2.605  -7.029  -7.694
  102    HB   THR  14           HB       THR  14   0.529  -7.037  -5.478
  103    HG1  THR  14           HG1      THR  14   1.174  -9.289  -7.069
  104   HG21  THR  14          HG21      THR  14  -1.042  -7.714  -7.184
  105   HG22  THR  14          HG22      THR  14   0.235  -7.705  -8.406
  106   HG23  THR  14          HG23      THR  14  -0.276  -6.194  -7.649
  107    H    CYS  15           HN       CYS  15   2.161  -4.944  -8.637
  108    HA   CYS  15           HA       CYS  15   2.102  -2.778  -6.644
  109    HB2  CYS  15           HB2      CYS  15   4.380  -3.342  -7.896
  110    HB3  CYS  15           HB1      CYS  15   3.626  -2.364  -9.151
  111    H    GLU  16           HN       GLU  16  -0.123  -2.635  -7.074
  112    HA   GLU  16           HA       GLU  16  -1.018  -2.220  -9.810
  113    HB2  GLU  16           HB2      GLU  16  -2.266  -3.659  -8.174
  114    HB3  GLU  16           HB1      GLU  16  -2.635  -2.210  -7.251
  115    HG2  GLU  16           HG2      GLU  16  -4.535  -2.759  -8.564
  116    HG3  GLU  16           HG1      GLU  16  -3.805  -1.311  -9.255
  117    H    SER  17           HN       SER  17  -0.064  -0.221 -10.273
  118    HA   SER  17           HA       SER  17  -0.082   2.036 -10.626
  119    HB2  SER  17           HB2      SER  17  -2.673   1.266 -10.445
  120    HB3  SER  17           HB1      SER  17  -2.579   2.470  -9.168
  121    HG   SER  17           HG       SER  17  -2.129   4.024 -10.610
  122    HA   PRO  18           HA       PRO  18   0.182   3.377  -6.073
  123    HB2  PRO  18           HB2      PRO  18   1.862   1.562  -4.818
  124    HB3  PRO  18           HB1      PRO  18   0.101   1.415  -4.882
  125    HG2  PRO  18           HG2      PRO  18   2.009  -0.304  -6.060
  126    HG3  PRO  18           HG1      PRO  18   0.258  -0.318  -6.341
  127    HD2  PRO  18           HD2      PRO  18   2.430   1.014  -7.926
  128    HD3  PRO  18           HD1      PRO  18   0.967   0.160  -8.501
  129    H    HIS  19           HN       HIS  19   3.138   1.577  -6.369
  130    HA   HIS  19           HA       HIS  19   4.772   3.996  -6.162
  131    HB2  HIS  19           HB2      HIS  19   5.876   1.243  -5.814
  132    HB3  HIS  19           HB1      HIS  19   6.314   2.736  -4.985
  133    HD1  HIS  19           HD1      HIS  19   3.989  -0.147  -4.823
  134    HD2  HIS  19           HD2      HIS  19   4.667   3.373  -2.774
  135    HE1  HIS  19           HE1      HIS  19   2.556  -0.272  -2.770
  136    HE2  HIS  19           HE2      HIS  19   3.208   1.739  -1.411
  137    H    CYS  20           HN       CYS  20   3.454   1.998  -8.329
  138    HA   CYS  20           HA       CYS  20   5.676   2.169 -10.232
  139    HB2  CYS  20           HB2      CYS  20   4.023  -0.333 -10.024
  140    HB3  CYS  20           HB1      CYS  20   5.609  -0.117 -10.760
  141    H    LYS  21           HN       LYS  21   4.590   1.133 -12.422
  142    HA   LYS  21           HA       LYS  21   2.313   2.896 -12.824
  143    HB2  LYS  21           HB2      LYS  21   2.613   2.540 -15.184
  144    HB3  LYS  21           HB1      LYS  21   4.173   2.887 -14.458
  145    HG2  LYS  21           HG2      LYS  21   5.004   0.850 -14.946
  146    HG3  LYS  21           HG1      LYS  21   3.459   0.035 -14.687
  147    HD2  LYS  21           HD2      LYS  21   4.154   1.735 -17.085
  148    HD3  LYS  21           HD1      LYS  21   4.166  -0.030 -17.048
  149    HE2  LYS  21           HE2      LYS  21   1.778  -0.034 -16.505
  150    HE3  LYS  21           HE1      LYS  21   1.767   1.727 -16.534
  151    HZ1  LYS  21           HZ1      LYS  21   2.318   1.680 -18.871
  152    HZ2  LYS  21           HZ2      LYS  21   0.925   0.755 -18.590
  153    HZ3  LYS  21           HZ3      LYS  21   2.413  -0.015 -18.850
  154    H    GLY  22           HN       GLY  22   2.737  -0.364 -12.019
  155    HA2  GLY  22           HA2      GLY  22   0.107  -1.085 -11.976
  156    HA3  GLY  22           HA1      GLY  22   0.575  -1.329 -13.638
  157    HA   PRO  23           HA       PRO  23   2.254  -5.137 -12.753
  158    HB2  PRO  23           HB2      PRO  23   4.974  -5.193 -13.233
  159    HB3  PRO  23           HB1      PRO  23   3.720  -5.032 -14.455
  160    HG2  PRO  23           HG2      PRO  23   5.650  -3.075 -13.682
  161    HG3  PRO  23           HG1      PRO  23   4.348  -2.905 -14.871
  162    HD2  PRO  23           HD2      PRO  23   4.436  -2.063 -12.024
  163    HD3  PRO  23           HD1      PRO  23   3.521  -1.366 -13.376
  164    H    THR  24           HN       THR  24   5.454  -4.320 -11.580
  165    HA   THR  24           HA       THR  24   4.873  -5.327  -8.916
  166    HB   THR  24           HB       THR  24   6.682  -7.097  -9.143
  167    HG1  THR  24           HG1      THR  24   6.109  -7.111 -11.913
  168   HG21  THR  24          HG21      THR  24   4.350  -7.746  -8.977
  169   HG22  THR  24          HG22      THR  24   5.179  -8.784 -10.137
  170   HG23  THR  24          HG23      THR  24   4.129  -7.488 -10.708
  171    H    CYS  25           HN       CYS  25   6.517  -4.890  -7.423
  172    HA   CYS  25           HA       CYS  25   9.116  -4.043  -8.449
  173    HB2  CYS  25           HB2      CYS  25   9.140  -1.953  -7.242
  174    HB3  CYS  25           HB1      CYS  25   7.732  -1.981  -8.306
  175    H    ARG  26           HN       ARG  26  10.736  -4.639  -7.221
  176    HA   ARG  26           HA       ARG  26  10.316  -5.668  -4.544
  177    HB2  ARG  26           HB2      ARG  26  12.793  -5.379  -6.237
  178    HB3  ARG  26           HB1      ARG  26  12.847  -5.905  -4.558
  179    HG2  ARG  26           HG2      ARG  26  11.540  -7.813  -5.026
  180    HG3  ARG  26           HG1      ARG  26  11.198  -7.254  -6.661
  181    HD2  ARG  26           HD2      ARG  26  13.634  -7.434  -7.153
  182    HD3  ARG  26           HD1      ARG  26  13.849  -8.161  -5.558
  183    HE   ARG  26           HE       ARG  26  11.867  -9.630  -6.762
  184   HH11  ARG  26          HH11      ARG  26  15.193  -8.835  -7.519
  185   HH12  ARG  26          HH12      ARG  26  15.487 -10.323  -8.376
  186   HH21  ARG  26          HH21      ARG  26  12.229 -11.569  -7.893
  187   HH22  ARG  26          HH22      ARG  26  13.795 -11.882  -8.590
  188    H    GLY  27           HN       GLY  27  10.803  -4.727  -2.694
  189    HA2  GLY  27           HA2      GLY  27  12.190  -2.174  -2.675
  190    HA3  GLY  27           HA1      GLY  27  10.508  -2.150  -2.182
  191    H    ALA  28           HN       ALA  28   9.971  -2.762  -0.201
  192    HA   ALA  28           HA       ALA  28  12.110  -3.763   1.573
  193    HB1  ALA  28           HB1      ALA  28  11.460  -2.153   3.274
  194    HB2  ALA  28           HB2      ALA  28  10.220  -1.498   2.204
  195    HB3  ALA  28           HB3      ALA  28  11.925  -1.316   1.793
  196    H    TRP  29           HN       TRP  29   8.780  -3.178   0.978
  197    HA   TRP  29           HA       TRP  29   7.815  -5.571   2.093
  198    HB2  TRP  29           HB2      TRP  29   6.390  -4.438   3.870
  199    HB3  TRP  29           HB1      TRP  29   8.093  -4.576   4.265
  200    HD1  TRP  29           HD1      TRP  29   6.812  -1.757   1.995
  201    HE1  TRP  29           HE1      TRP  29   7.149   0.477   3.208
  202    HE3  TRP  29           HE3      TRP  29   8.292  -3.521   6.552
  203    HZ2  TRP  29           HZ2      TRP  29   7.937   1.388   5.750
  204    HZ3  TRP  29           HZ3      TRP  29   8.816  -1.899   8.327
  205    HH2  TRP  29           HH2      TRP  29   8.642   0.507   7.934
  206    H    CYS  30           HN       CYS  30   5.258  -5.203   2.317
  207    HA   CYS  30           HA       CYS  30   4.552  -3.930  -0.228
  208    HB2  CYS  30           HB2      CYS  30   3.093  -6.028   1.396
  209    HB3  CYS  30           HB1      CYS  30   2.461  -5.293  -0.071
  210    H    THR  31           HN       THR  31   3.595  -2.008  -0.129
  211    HA   THR  31           HA       THR  31   1.987  -1.401   2.264
  212    HB   THR  31           HB       THR  31   2.371   1.005   1.676
  213    HG1  THR  31           HG1      THR  31   4.635   0.864   0.379
  214   HG21  THR  31          HG21      THR  31   4.617   1.123   2.622
  215   HG22  THR  31          HG22      THR  31   4.850  -0.593   2.290
  216   HG23  THR  31          HG23      THR  31   3.639  -0.079   3.463
  217    H    VAL  32           HN       VAL  32  -0.082  -1.450   1.879
  218    HA   VAL  32           HA       VAL  32  -1.008  -0.863  -0.846
  219    HB   VAL  32           HB       VAL  32  -2.944  -2.130  -0.405
  220   HG11  VAL  32          HG11      VAL  32  -0.627  -3.513   0.918
  221   HG12  VAL  32          HG12      VAL  32  -0.970  -3.466  -0.811
  222   HG13  VAL  32          HG13      VAL  32  -2.070  -4.304   0.285
  223   HG21  VAL  32          HG21      VAL  32  -3.436  -1.244   1.832
  224   HG22  VAL  32          HG22      VAL  32  -2.151  -2.253   2.500
  225   HG23  VAL  32          HG23      VAL  32  -3.574  -3.001   1.773
  226    H    VAL  33           HN       VAL  33  -2.853   0.553  -1.061
  227    HA   VAL  33           HA       VAL  33  -3.276   2.385   1.138
  228    HB   VAL  33           HB       VAL  33  -2.478   3.828  -1.280
  229   HG11  VAL  33          HG11      VAL  33  -1.408   5.280   0.328
  230   HG12  VAL  33          HG12      VAL  33  -1.665   4.082   1.598
  231   HG13  VAL  33          HG13      VAL  33  -3.048   4.881   0.843
  232   HG21  VAL  33          HG21      VAL  33  -0.770   2.072  -1.379
  233   HG22  VAL  33          HG22      VAL  33  -0.317   2.428   0.291
  234   HG23  VAL  33          HG23      VAL  33  -0.073   3.640  -0.970
  235    H    LEU  34           HN       LEU  34  -5.410   2.674   1.070
  236    HA   LEU  34           HA       LEU  34  -6.805   2.599  -1.469
  237    HB2  LEU  34           HB2      LEU  34  -7.917   1.572   0.427
  238    HB3  LEU  34           HB1      LEU  34  -7.827   3.072   1.333
  239    HG   LEU  34           HG       LEU  34  -9.296   4.132  -0.434
  240   HD11  LEU  34          HD11      LEU  34  -8.869   2.572  -2.241
  241   HD12  LEU  34          HD12      LEU  34 -10.591   2.632  -1.867
  242   HD13  LEU  34          HD13      LEU  34  -9.616   1.268  -1.319
  243   HD21  LEU  34          HD21      LEU  34 -10.440   1.777   1.068
  244   HD22  LEU  34          HD22      LEU  34 -11.355   3.137   0.416
  245   HD23  LEU  34          HD23      LEU  34 -10.190   3.400   1.713
  246    H    VAL  35           HN       VAL  35  -7.134   4.302  -2.671
  247    HA   VAL  35           HA       VAL  35  -6.974   6.976  -1.569
  248    HB   VAL  35           HB       VAL  35  -7.876   6.053  -4.313
  249   HG11  VAL  35          HG11      VAL  35  -7.135   8.816  -3.347
  250   HG12  VAL  35          HG12      VAL  35  -8.765   8.252  -3.715
  251   HG13  VAL  35          HG13      VAL  35  -7.566   8.375  -5.001
  252   HG21  VAL  35          HG21      VAL  35  -5.668   6.769  -5.083
  253   HG22  VAL  35          HG22      VAL  35  -5.549   5.475  -3.889
  254   HG23  VAL  35          HG23      VAL  35  -5.210   7.141  -3.419
  255    H    ARG  36           HN       ARG  36  -8.625   7.089  -0.050
  256    HA   ARG  36           HA       ARG  36 -11.275   6.187  -0.688
  257    HB2  ARG  36           HB2      ARG  36 -10.402   6.207   1.649
  258    HB3  ARG  36           HB1      ARG  36 -10.413   7.965   1.594
  259    HG2  ARG  36           HG2      ARG  36 -12.375   7.123   2.757
  260    HG3  ARG  36           HG1      ARG  36 -12.838   7.946   1.265
  261    HD2  ARG  36           HD2      ARG  36 -12.831   5.642   0.181
  262    HD3  ARG  36           HD1      ARG  36 -12.747   4.990   1.817
  263    HE   ARG  36           HE       ARG  36 -14.893   6.853   1.503
  264   HH11  ARG  36          HH11      ARG  36 -13.953   3.517   0.997
  265   HH12  ARG  36          HH12      ARG  36 -15.588   2.931   0.945
  266   HH21  ARG  36          HH21      ARG  36 -17.037   6.093   1.424
  267   HH22  ARG  36          HH22      ARG  36 -17.331   4.389   1.189
  268    H    GLU  37           HN       GLU  37 -11.187   7.415  -2.694
  269    HA   GLU  37           HA       GLU  37 -11.680  10.255  -2.505
  270    HB2  GLU  37           HB2      GLU  37 -10.401   8.954  -4.345
  271    HB3  GLU  37           HB1      GLU  37 -11.994   8.550  -4.954
  272    HG2  GLU  37           HG2      GLU  37 -12.507  10.945  -5.146
  273    HG3  GLU  37           HG1      GLU  37 -10.865  11.316  -4.618
  274    H    GLU  38           HN       GLU  38 -13.555  10.253  -1.265
  275    HA   GLU  38           HA       GLU  38 -15.771   8.584  -1.766
  276    HB2  GLU  38           HB2      GLU  38 -15.225   9.794   0.396
  277    HB3  GLU  38           HB1      GLU  38 -15.846  11.255  -0.365
  278    HG2  GLU  38           HG2      GLU  38 -17.534  10.236   1.034
  279    HG3  GLU  38           HG1      GLU  38 -18.015  10.180  -0.660
  280    H    GLY  39           HN       GLY  39 -16.537   8.644  -3.785
  281    HA2  GLY  39           HA2      GLY  39 -18.421  10.138  -4.793
  282    HA3  GLY  39           HA1      GLY  39 -17.070  11.239  -5.024
  283    H    ARG  40           HN       ARG  40 -15.048  10.004  -6.079
  284    HA   ARG  40           HA       ARG  40 -16.229   8.800  -8.468
  285    HB2  ARG  40           HB2      ARG  40 -13.567  10.199  -8.204
  286    HB3  ARG  40           HB1      ARG  40 -14.307   9.633  -9.691
  287    HG2  ARG  40           HG2      ARG  40 -14.734  11.897  -9.736
  288    HG3  ARG  40           HG1      ARG  40 -16.233  11.240  -9.078
  289    HD2  ARG  40           HD2      ARG  40 -15.519  13.222  -7.842
  290    HD3  ARG  40           HD1      ARG  40 -15.489  11.787  -6.817
  291    HE   ARG  40           HE       ARG  40 -12.943  11.939  -7.737
  292   HH11  ARG  40          HH11      ARG  40 -15.091  14.160  -6.090
  293   HH12  ARG  40          HH12      ARG  40 -13.805  15.072  -5.362
  294   HH21  ARG  40          HH21      ARG  40 -11.236  13.142  -6.774
  295   HH22  ARG  40          HH22      ARG  40 -11.616  14.489  -5.748
  296    H    HIS  41           HN       HIS  41 -12.886   8.689  -7.128
  297    HA   HIS  41           HA       HIS  41 -12.916   5.841  -7.918
  298    HB2  HIS  41           HB2      HIS  41 -10.607   7.760  -8.024
  299    HB3  HIS  41           HB1      HIS  41 -10.532   6.063  -8.455
  300    HD1  HIS  41           HD1      HIS  41 -11.900   5.363 -10.633
  301    HD2  HIS  41           HD2      HIS  41 -11.395   9.444 -10.014
  302    HE1  HIS  41           HE1      HIS  41 -12.330   6.450 -12.865
  303    HE2  HIS  41           HE2      HIS  41 -11.798   8.890 -12.504
  304    HA   PRO  42           HA       PRO  42 -11.337   5.221  -3.674
  305    HB2  PRO  42           HB2      PRO  42 -13.082   2.904  -3.743
  306    HB3  PRO  42           HB1      PRO  42 -13.043   4.219  -2.567
  307    HG2  PRO  42           HG2      PRO  42 -15.079   3.802  -4.363
  308    HG3  PRO  42           HG1      PRO  42 -14.705   5.365  -3.619
  309    HD2  PRO  42           HD2      PRO  42 -14.085   4.381  -6.366
  310    HD3  PRO  42           HD1      PRO  42 -14.454   6.021  -5.804
  311    H    GLN  43           HN       GLN  43  -9.369   4.503  -4.389
  312    HA   GLN  43           HA       GLN  43  -9.341   2.069  -6.053
  313    HB2  GLN  43           HB2      GLN  43  -7.493   4.453  -6.128
  314    HB3  GLN  43           HB1      GLN  43  -7.231   2.970  -7.033
  315    HG2  GLN  43           HG2      GLN  43  -9.235   3.321  -8.305
  316    HG3  GLN  43           HG1      GLN  43  -9.660   4.721  -7.323
  317   HE21  GLN  43          HE21      GLN  43  -6.932   5.707  -7.203
  318   HE22  GLN  43          HE22      GLN  43  -6.571   6.363  -8.764
  319    H    GLU  44           HN       GLU  44  -8.492   0.385  -5.116
  320    HA   GLU  44           HA       GLU  44  -6.756   0.649  -2.815
  321    HB2  GLU  44           HB2      GLU  44  -7.511  -1.924  -4.197
  322    HB3  GLU  44           HB1      GLU  44  -7.033  -1.694  -2.522
  323    HG2  GLU  44           HG2      GLU  44  -9.272  -1.985  -2.261
  324    HG3  GLU  44           HG1      GLU  44  -9.218  -0.232  -2.444
  325    H    HIS  45           HN       HIS  45  -4.795   1.447  -3.575
  326    HA   HIS  45           HA       HIS  45  -3.472  -0.098  -5.691
  327    HB2  HIS  45           HB2      HIS  45  -2.867   2.628  -4.542
  328    HB3  HIS  45           HB1      HIS  45  -1.793   1.801  -5.658
  329    HD1  HIS  45           HD1      HIS  45  -2.973   4.478  -6.524
  330    HD2  HIS  45           HD2      HIS  45  -4.794   0.807  -7.276
  331    HE1  HIS  45           HE1      HIS  45  -4.495   4.854  -8.490
  332    HE2  HIS  45           HE2      HIS  45  -5.534   2.604  -8.975
  333    H    ARG  46           HN       ARG  46  -1.430  -1.046  -5.358
  334    HA   ARG  46           HA       ARG  46  -0.525  -1.337  -2.601
  335    HB2  ARG  46           HB2      ARG  46  -0.792  -3.949  -3.175
  336    HB3  ARG  46           HB1      ARG  46  -2.035  -3.025  -2.338
  337    HG2  ARG  46           HG2      ARG  46  -3.193  -2.681  -4.474
  338    HG3  ARG  46           HG1      ARG  46  -1.943  -3.616  -5.295
  339    HD2  ARG  46           HD2      ARG  46  -2.536  -5.589  -4.070
  340    HD3  ARG  46           HD1      ARG  46  -3.670  -4.680  -3.070
  341    HE   ARG  46           HE       ARG  46  -4.632  -4.266  -5.556
  342   HH11  ARG  46          HH11      ARG  46  -3.725  -7.172  -3.819
  343   HH12  ARG  46          HH12      ARG  46  -4.851  -8.183  -4.671
  344   HH21  ARG  46          HH21      ARG  46  -6.113  -5.588  -6.665
  345   HH22  ARG  46          HH22      ARG  46  -6.194  -7.285  -6.302
  346    H    GLY  47           HN       GLY  47   1.600  -2.175  -2.434
  347    HA2  GLY  47           HA2      GLY  47   3.029  -3.622  -4.346
  348    HA3  GLY  47           HA1      GLY  47   3.243  -1.924  -4.759
  349    H    CYS  48           HN       CYS  48   5.508  -2.124  -4.306
  350    HA   CYS  48           HA       CYS  48   6.284  -2.784  -1.564
  351    HB2  CYS  48           HB2      CYS  48   8.522  -2.875  -2.390
  352    HB3  CYS  48           HB1      CYS  48   7.508  -3.732  -3.539
  353    H    GLY  49           HN       GLY  49   6.844  -1.256  -0.101
  354    HA2  GLY  49           HA2      GLY  49   6.603   1.532  -0.943
  355    HA3  GLY  49           HA1      GLY  49   6.672   0.948   0.717
  356    H    ASN  50           HN       ASN  50   9.082  -0.695  -0.166
  357    HA   ASN  50           HA       ASN  50  11.269  -0.558   0.344
  358    HB2  ASN  50           HB2      ASN  50  12.603   0.959  -1.225
  359    HB3  ASN  50           HB1      ASN  50  11.622  -0.305  -1.946
  360   HD21  ASN  50          HD21      ASN  50  10.023   0.234  -3.346
  361   HD22  ASN  50          HD22      ASN  50   9.685   1.857  -3.840
  362    H    LEU  51           HN       LEU  51  12.072   2.632  -0.407
  363    HA   LEU  51           HA       LEU  51  12.804   3.014   2.369
  364    HB2  LEU  51           HB2      LEU  51  13.321   4.686  -0.094
  365    HB3  LEU  51           HB1      LEU  51  13.937   5.062   1.504
  366    HG   LEU  51           HG       LEU  51  14.613   2.615  -0.129
  367   HD11  LEU  51          HD11      LEU  51  15.673   4.628  -0.968
  368   HD12  LEU  51          HD12      LEU  51  16.861   3.587  -0.183
  369   HD13  LEU  51          HD13      LEU  51  16.254   5.020   0.649
  370   HD21  LEU  51          HD21      LEU  51  14.536   2.092   2.239
  371   HD22  LEU  51          HD22      LEU  51  15.568   3.476   2.597
  372   HD23  LEU  51          HD23      LEU  51  16.202   2.121   1.664
  373    H    HIS  52           HN       HIS  52  10.063   3.626   0.662
  374    HA   HIS  52           HA       HIS  52   9.575   6.288   1.727
  375    HB2  HIS  52           HB2      HIS  52   7.773   4.534   0.045
  376    HB3  HIS  52           HB1      HIS  52   7.484   6.222   0.454
  377    HD1  HIS  52           HD1      HIS  52   8.626   4.265  -2.243
  378    HD2  HIS  52           HD2      HIS  52   9.889   7.845  -0.542
  379    HE1  HIS  52           HE1      HIS  52   9.998   5.409  -4.015
  380    HE2  HIS  52           HE2      HIS  52  10.626   7.643  -3.019
  381    H    ARG  53           HN       ARG  53   9.639   5.679   3.947
  382    HA   ARG  53           HA       ARG  53   7.631   3.922   5.019
  383    HB2  ARG  53           HB2      ARG  53   9.988   4.684   5.989
  384    HB3  ARG  53           HB1      ARG  53   9.021   5.961   6.712
  385    HG2  ARG  53           HG2      ARG  53   8.292   3.070   7.028
  386    HG3  ARG  53           HG1      ARG  53   9.457   3.856   8.090
  387    HD2  ARG  53           HD2      ARG  53   6.700   4.957   7.631
  388    HD3  ARG  53           HD1      ARG  53   7.040   3.758   8.878
  389    HE   ARG  53           HE       ARG  53   8.639   5.408   9.822
  390   HH11  ARG  53          HH11      ARG  53   6.094   6.567   7.697
  391   HH12  ARG  53          HH12      ARG  53   6.026   8.133   8.441
  392   HH21  ARG  53          HH21      ARG  53   8.550   7.434  10.789
  393   HH22  ARG  53          HH22      ARG  53   7.423   8.636  10.221
  394    H    GLU  54           HN       GLU  54   7.895   7.231   4.156
  395    HA   GLU  54           HA       GLU  54   5.739   8.379   5.501
  396    HB2  GLU  54           HB2      GLU  54   7.155   9.781   4.222
  397    HB3  GLU  54           HB1      GLU  54   6.938   8.811   2.775
  398    HG2  GLU  54           HG2      GLU  54   4.648   9.587   2.578
  399    HG3  GLU  54           HG1      GLU  54   4.831  10.534   4.054
  400    H    LEU  55           HN       LEU  55   5.838   6.506   2.504
  401    HA   LEU  55           HA       LEU  55   2.994   6.617   2.122
  402    HB2  LEU  55           HB2      LEU  55   5.074   4.879   0.793
  403    HB3  LEU  55           HB1      LEU  55   3.412   5.064   0.264
  404    HG   LEU  55           HG       LEU  55   5.545   7.200   0.265
  405   HD11  LEU  55          HD11      LEU  55   5.794   5.566  -1.516
  406   HD12  LEU  55          HD12      LEU  55   5.269   7.122  -2.158
  407   HD13  LEU  55          HD13      LEU  55   4.110   5.804  -1.986
  408   HD21  LEU  55          HD21      LEU  55   3.401   8.192   0.816
  409   HD22  LEU  55          HD22      LEU  55   2.644   7.365  -0.546
  410   HD23  LEU  55          HD23      LEU  55   3.858   8.610  -0.837
  411    H    CYS  56           HN       CYS  56   4.443   5.259   4.533
  412    HA   CYS  56           HA       CYS  56   2.993   2.703   4.371
  413    HB2  CYS  56           HB2      CYS  56   5.416   2.438   4.610
  414    HB3  CYS  56           HB1      CYS  56   5.396   3.434   6.059
  415    H    ARG  57           HN       ARG  57   3.375   5.670   6.169
  416    HA   ARG  57           HA       ARG  57   0.996   5.264   7.607
  417    HB2  ARG  57           HB2      ARG  57   1.986   5.199   9.909
  418    HB3  ARG  57           HB1      ARG  57   2.178   3.724   8.977
  419    HG2  ARG  57           HG2      ARG  57   4.498   4.548   8.399
  420    HG3  ARG  57           HG1      ARG  57   4.259   5.781   9.641
  421    HD2  ARG  57           HD2      ARG  57   5.445   3.752  10.461
  422    HD3  ARG  57           HD1      ARG  57   3.947   4.097  11.330
  423    HE   ARG  57           HE       ARG  57   3.166   2.383   9.372
  424   HH11  ARG  57          HH11      ARG  57   5.670   2.230  11.820
  425   HH12  ARG  57          HH12      ARG  57   5.556   0.505  11.995
  426   HH21  ARG  57          HH21      ARG  57   3.019   0.147   9.578
  427   HH22  ARG  57          HH22      ARG  57   4.043  -0.696  10.710
  428    H    GLY  58           HN       GLY  58   1.149   6.863   9.696
  429    HA2  GLY  58           HA2      GLY  58   2.091   9.272   9.920
  430    HA3  GLY  58           HA1      GLY  58   1.430   9.432   8.292
  431    H    ARG  59           HN       ARG  59  -0.838   9.396   7.981
  432    HA   ARG  59           HA       ARG  59  -2.473   9.009  10.401
  433    HB2  ARG  59           HB2      ARG  59  -3.016  10.894   8.089
  434    HB3  ARG  59           HB1      ARG  59  -4.108  10.591   9.433
  435    HG2  ARG  59           HG2      ARG  59  -2.651  11.641  10.972
  436    HG3  ARG  59           HG1      ARG  59  -1.340  11.702   9.794
  437    HD2  ARG  59           HD2      ARG  59  -2.320  13.886   9.993
  438    HD3  ARG  59           HD1      ARG  59  -2.709  13.223   8.410
  439    HE   ARG  59           HE       ARG  59  -4.956  12.711   9.343
  440   HH11  ARG  59          HH11      ARG  59  -2.942  15.095  10.925
  441   HH12  ARG  59          HH12      ARG  59  -4.277  16.036  11.509
  442   HH21  ARG  59          HH21      ARG  59  -6.738  13.959  10.079
  443   HH22  ARG  59          HH22      ARG  59  -6.442  15.380  11.035
  444    HA   PRO  60           HA       PRO  60  -3.478   5.865   7.221
  445    HB2  PRO  60           HB2      PRO  60  -4.003   4.050   9.414
  446    HB3  PRO  60           HB1      PRO  60  -2.707   3.993   8.218
  447    HG2  PRO  60           HG2      PRO  60  -2.286   4.513  10.865
  448    HG3  PRO  60           HG1      PRO  60  -1.235   5.113   9.569
  449    HD2  PRO  60           HD2      PRO  60  -3.418   6.536  11.052
  450    HD3  PRO  60           HD1      PRO  60  -1.809   7.125  10.577
  451    H    THR  61           HN       THR  61  -5.398   7.780   7.894
  452    HA   THR  61           HA       THR  61  -7.802   6.198   7.821
  453    HB   THR  61           HB       THR  61  -7.448   6.343  10.224
  454    HG1  THR  61           HG1      THR  61  -9.589   6.380   9.726
  455   HG21  THR  61          HG21      THR  61  -7.529   8.525  11.388
  456   HG22  THR  61          HG22      THR  61  -7.437   9.327   9.819
  457   HG23  THR  61          HG23      THR  61  -6.095   8.330  10.379
  458    H    GLU  62           HN       GLU  62  -9.719   7.852   7.986
  459    HA   GLU  62           HA       GLU  62 -10.836   9.770   7.455
  460    HB2  GLU  62           HB2      GLU  62  -8.126  10.917   6.763
  461    HB3  GLU  62           HB1      GLU  62  -9.629  11.826   6.835
  462    HG2  GLU  62           HG2      GLU  62  -9.812  11.473   9.186
  463    HG3  GLU  62           HG1      GLU  62  -8.460  10.342   9.172
  464    H    PHE  63           HN       PHE  63  -8.185   9.372   5.180
  465    HA   PHE  63           HA       PHE  63 -10.058   8.828   3.019
  466    HB2  PHE  63           HB2      PHE  63  -9.276  10.637   1.573
  467    HB3  PHE  63           HB1      PHE  63  -9.974  11.292   3.050
  468    HD1  PHE  63           HD1      PHE  63  -8.407  12.039   4.885
  469    HD2  PHE  63           HD2      PHE  63  -7.091  11.173   0.932
  470    HE1  PHE  63           HE1      PHE  63  -6.358  13.335   5.289
  471    HE2  PHE  63           HE2      PHE  63  -5.040  12.470   1.329
  472    HZ   PHE  63           HZ       PHE  63  -4.656  13.532   3.503
  473    H    VAL  64           HN       VAL  64  -7.527   7.895   4.568
  474    HA   VAL  64           HA       VAL  64  -6.109   6.860   2.252
  475    HB   VAL  64           HB       VAL  64  -5.053   9.033   2.586
  476   HG11  VAL  64          HG11      VAL  64  -3.942   9.650   4.625
  477   HG12  VAL  64          HG12      VAL  64  -4.364   8.105   5.366
  478   HG13  VAL  64          HG13      VAL  64  -5.632   9.269   4.975
  479   HG21  VAL  64          HG21      VAL  64  -3.636   7.220   1.820
  480   HG22  VAL  64          HG22      VAL  64  -3.293   6.754   3.486
  481   HG23  VAL  64          HG23      VAL  64  -2.724   8.304   2.870
  482    H    ASN  65           HN       ASN  65  -4.688   5.093   2.810
  483    HA   ASN  65           HA       ASN  65  -4.580   4.148   5.518
  484    HB2  ASN  65           HB2      ASN  65  -6.843   3.431   4.981
  485    HB3  ASN  65           HB1      ASN  65  -6.291   2.718   3.469
  486   HD21  ASN  65          HD21      ASN  65  -6.629   0.610   3.729
  487   HD22  ASN  65          HD22      ASN  65  -6.007  -0.336   5.039
  488    H    HIS  66           HN       HIS  66  -2.349   3.932   5.242
  489    HA   HIS  66           HA       HIS  66  -1.448   2.280   3.007
  490    HB2  HIS  66           HB2      HIS  66   0.549   3.134   5.010
  491    HB3  HIS  66           HB1      HIS  66   0.644   3.137   3.261
  492    HD1  HIS  66           HD1      HIS  66  -0.354   5.262   6.169
  493    HD2  HIS  66           HD2      HIS  66  -0.008   5.550   2.038
  494    HE1  HIS  66           HE1      HIS  66  -0.537   7.715   5.648
  495    HE2  HIS  66           HE2      HIS  66  -0.272   7.882   3.144
  496    H    TYR  67           HN       TYR  67  -2.095   0.209   3.530
  497    HA   TYR  67           HA       TYR  67  -1.319  -0.838   6.148
  498    HB2  TYR  67           HB2      TYR  67  -3.491  -1.480   5.138
  499    HB3  TYR  67           HB1      TYR  67  -2.627  -2.266   3.825
  500    HD1  TYR  67           HD2      TYR  67  -1.148  -4.234   4.359
  501    HD2  TYR  67           HD1      TYR  67  -3.885  -2.598   7.174
  502    HE1  TYR  67           HE2      TYR  67  -1.040  -6.306   5.656
  503    HE2  TYR  67           HE1      TYR  67  -3.782  -4.674   8.487
  504    HH   TYR  67           HH       TYR  67  -1.410  -6.961   8.101
  505    H    CYS  68           HN       CYS  68   0.644  -1.396   6.444
  506    HA   CYS  68           HA       CYS  68   2.275  -2.406   4.201
  507    HB2  CYS  68           HB2      CYS  68   3.454  -1.675   6.860
  508    HB3  CYS  68           HB1      CYS  68   4.202  -1.663   5.273
  509    H    CYS  69           HN       CYS  69   3.698  -4.195   4.476
  510    HA   CYS  69           HA       CYS  69   3.558  -5.888   6.765
  511    HB2  CYS  69           HB2      CYS  69   2.608  -7.870   5.582
  512    HB3  CYS  69           HB1      CYS  69   1.441  -6.588   5.834
  513    H    ASP  70           HN       ASP  70   5.181  -7.509   6.696
  514    HA   ASP  70           HA       ASP  70   7.359  -6.568   4.986
  515    HB2  ASP  70           HB2      ASP  70   7.323  -8.269   7.482
  516    HB3  ASP  70           HB1      ASP  70   8.788  -7.856   6.600
  517    H    SER  71           HN       SER  71   5.470  -8.361   3.702
  518    HA   SER  71           HA       SER  71   7.259 -10.658   3.271
  519    HB2  SER  71           HB2      SER  71   4.232 -10.727   3.260
  520    HB3  SER  71           HB1      SER  71   5.306 -12.096   2.976
  521    HG   SER  71           HG       SER  71   6.166 -11.499   5.176
  522    H    HIS  72           HN       HIS  72   7.452 -11.389   1.161
  523    HA   HIS  72           HA       HIS  72   6.918  -9.489  -0.898
  524    HB2  HIS  72           HB2      HIS  72   7.911 -11.166  -2.416
  525    HB3  HIS  72           HB1      HIS  72   8.920 -10.896  -1.003
  526    HD1  HIS  72           HD1      HIS  72   9.134 -12.851   0.695
  527    HD2  HIS  72           HD2      HIS  72   6.842 -13.732  -2.659
  528    HE1  HIS  72           HE1      HIS  72   8.840 -15.345   0.711
  529    HE2  HIS  72           HE2      HIS  72   7.204 -15.799  -1.152
  530    H    LEU  73           HN       LEU  73   5.279  -9.376  -2.268
  531    HA   LEU  73           HA       LEU  73   3.336  -9.811  -3.375
  532    HB2  LEU  73           HB2      LEU  73   3.788 -12.710  -2.660
  533    HB3  LEU  73           HB1      LEU  73   2.735 -12.092  -3.917
  534    HG   LEU  73           HG       LEU  73   5.752 -12.026  -3.890
  535   HD11  LEU  73          HD11      LEU  73   3.769 -13.456  -5.654
  536   HD12  LEU  73          HD12      LEU  73   4.824 -14.196  -4.449
  537   HD13  LEU  73          HD13      LEU  73   5.517 -13.440  -5.884
  538   HD21  LEU  73          HD21      LEU  73   4.883  -9.965  -4.852
  539   HD22  LEU  73          HD22      LEU  73   3.838 -10.896  -5.927
  540   HD23  LEU  73          HD23      LEU  73   5.591 -10.994  -6.097
  541    H    CYS  74           HN       CYS  74   3.278  -9.026  -0.747
  542    HA   CYS  74           HA       CYS  74   1.431 -10.751   0.715
  543    HB2  CYS  74           HB2      CYS  74   3.246  -9.966   2.045
  544    HB3  CYS  74           HB1      CYS  74   3.040  -8.312   1.480
  545    H    ASN  75           HN       ASN  75   1.653  -7.681  -0.874
  546    HA   ASN  75           HA       ASN  75  -0.866  -6.687  -0.011
  547    HB2  ASN  75           HB2      ASN  75  -0.503  -4.944  -1.606
  548    HB3  ASN  75           HB1      ASN  75   1.053  -5.311  -0.871
  549   HD21  ASN  75          HD21      ASN  75  -0.875  -5.499  -3.728
  550   HD22  ASN  75          HD22      ASN  75   0.413  -5.890  -4.808
  551    H    HIS  76           HN       HIS  76   0.116  -9.049  -2.223
  552    HA   HIS  76           HA       HIS  76  -1.740  -8.791  -4.259
  553    HB2  HIS  76           HB2      HIS  76   0.219 -10.243  -4.390
  554    HB3  HIS  76           HB1      HIS  76  -0.469 -11.297  -3.163
  555    HD1  HIS  76           HD1      HIS  76  -2.066  -9.932  -6.367
  556    HD2  HIS  76           HD2      HIS  76  -1.132 -13.535  -4.501
  557    HE1  HIS  76           HE1      HIS  76  -2.964 -11.735  -7.870
  558    HE2  HIS  76           HE2      HIS  76  -2.250 -13.903  -6.801
  559    H    ASN  77           HN       ASN  77  -2.015 -10.174  -1.093
  560    HA   ASN  77           HA       ASN  77  -4.877 -10.798  -1.556
  561    HB2  ASN  77           HB2      ASN  77  -2.864 -12.369   0.083
  562    HB3  ASN  77           HB1      ASN  77  -4.601 -12.634   0.147
  563   HD21  ASN  77          HD21      ASN  77  -4.489 -14.720  -0.577
  564   HD22  ASN  77          HD22      ASN  77  -4.061 -15.137  -2.198
  565    H    VAL  78           HN       VAL  78  -4.068  -8.341  -0.671
  566    HA   VAL  78           HA       VAL  78  -3.959  -8.355   2.243
  567    HB   VAL  78           HB       VAL  78  -2.410  -7.030   0.723
  568   HG11  VAL  78          HG11      VAL  78  -3.213  -4.819   0.012
  569   HG12  VAL  78          HG12      VAL  78  -4.842  -5.271   0.516
  570   HG13  VAL  78          HG13      VAL  78  -4.054  -6.139  -0.802
  571   HG21  VAL  78          HG21      VAL  78  -2.493  -6.663   3.121
  572   HG22  VAL  78          HG22      VAL  78  -3.854  -5.560   2.916
  573   HG23  VAL  78          HG23      VAL  78  -2.272  -5.138   2.263
  574    H    SER  79           HN       SER  79  -5.166  -6.639   3.404
  575    HA   SER  79           HA       SER  79  -7.723  -5.899   2.147
  576    HB2  SER  79           HB2      SER  79  -7.260  -6.291   5.113
  577    HB3  SER  79           HB1      SER  79  -8.801  -6.099   4.277
  578    HG   SER  79           HG       SER  79  -7.011  -8.292   4.026
  579    H    LEU  80           HN       LEU  80  -8.121  -3.705   2.120
  580    HA   LEU  80           HA       LEU  80  -6.591  -1.972   3.877
  581    HB2  LEU  80           HB2      LEU  80  -5.543  -0.674   2.212
  582    HB3  LEU  80           HB1      LEU  80  -5.166  -2.347   1.861
  583    HG   LEU  80           HG       LEU  80  -7.294  -0.766   0.446
  584   HD11  LEU  80          HD11      LEU  80  -4.531  -1.424  -0.505
  585   HD12  LEU  80          HD12      LEU  80  -5.070   0.166   0.031
  586   HD13  LEU  80          HD13      LEU  80  -5.779  -0.569  -1.407
  587   HD21  LEU  80          HD21      LEU  80  -7.016  -2.612  -1.244
  588   HD22  LEU  80          HD22      LEU  80  -7.771  -3.074   0.277
  589   HD23  LEU  80          HD23      LEU  80  -6.081  -3.470  -0.018
  590    H    VAL  81           HN       VAL  81  -9.268  -2.458   3.891
  591    HA   VAL  81           HA       VAL  81 -10.759  -0.657   2.259
  592    HB   VAL  81           HB       VAL  81 -12.685  -1.312   3.622
  593   HG11  VAL  81          HG11      VAL  81 -12.679  -3.680   2.982
  594   HG12  VAL  81          HG12      VAL  81 -10.935  -3.598   2.725
  595   HG13  VAL  81          HG13      VAL  81 -12.022  -2.655   1.705
  596   HG21  VAL  81          HG21      VAL  81 -12.425  -3.063   5.333
  597   HG22  VAL  81          HG22      VAL  81 -11.621  -1.560   5.788
  598   HG23  VAL  81          HG23      VAL  81 -10.672  -2.921   5.189
  599    H    LEU  82           HN       LEU  82  -8.881   0.898   3.537
  600    HA   LEU  82           HA       LEU  82  -8.531   2.768   4.816
  601    HB2  LEU  82           HB2      LEU  82 -10.926   3.078   3.477
  602    HB3  LEU  82           HB1      LEU  82 -11.372   3.428   5.133
  603    HG   LEU  82           HG       LEU  82 -10.831   5.470   3.918
  604   HD11  LEU  82          HD11      LEU  82  -9.170   6.406   5.456
  605   HD12  LEU  82          HD12      LEU  82  -8.764   4.778   5.999
  606   HD13  LEU  82          HD13      LEU  82 -10.374   5.433   6.301
  607   HD21  LEU  82          HD21      LEU  82  -8.068   4.311   3.607
  608   HD22  LEU  82          HD22      LEU  82  -8.604   5.911   3.092
  609   HD23  LEU  82          HD23      LEU  82  -9.260   4.471   2.316
  610    H    GLU  83           HN       GLU  83  -8.645   0.418   6.240
  611    HA   GLU  83           HA       GLU  83  -9.323   0.903   8.874
  612    HB2  GLU  83           HB2      GLU  83 -11.616   1.128   8.096
  613    HB3  GLU  83           HB1      GLU  83 -11.485  -0.399   7.238
  614    HG2  GLU  83           HG2      GLU  83 -12.807  -0.588   9.278
  615    HG3  GLU  83           HG1      GLU  83 -11.360  -1.593   9.336
  616    H    ALA  84           HN       ALA  84 -10.289  -1.685   6.874
  617    HA   ALA  84           HA       ALA  84  -9.306  -3.598   6.126
  618    HB1  ALA  84           HB1      ALA  84  -6.880  -2.819   7.735
  619    HB2  ALA  84           HB2      ALA  84  -7.173  -2.376   6.054
  620    HB3  ALA  84           HB3      ALA  84  -6.965  -4.071   6.497
  621    H    THR  85           HN       THR  85 -10.736  -3.192   8.769
  622    HA   THR  85           HA       THR  85  -9.880  -5.706   9.990
  623    HB   THR  85           HB       THR  85 -11.527  -5.008  11.837
  624    HG1  THR  85           HG1      THR  85 -11.182  -2.363  11.346
  625   HG21  THR  85          HG21      THR  85  -9.066  -3.331  11.351
  626   HG22  THR  85          HG22      THR  85  -9.099  -4.921  12.113
  627   HG23  THR  85          HG23      THR  85  -9.875  -3.548  12.904
  628    H    GLN  86           HN       GLN  86 -11.892  -4.692   7.728
  629    HA   GLN  86           HA       GLN  86 -14.267  -6.152   8.379
  630    HB2  GLN  86           HB2      GLN  86 -13.369  -4.994   5.718
  631    HB3  GLN  86           HB1      GLN  86 -15.008  -5.473   6.150
  632    HG2  GLN  86           HG2      GLN  86 -13.423  -3.204   7.330
  633    HG3  GLN  86           HG1      GLN  86 -14.787  -3.077   6.227
  634   HE21  GLN  86          HE21      GLN  86 -16.336  -5.159   7.548
  635   HE22  GLN  86          HE22      GLN  86 -16.887  -4.480   9.038
  636    HA   PRO  87           HA       PRO  87 -13.364 -10.085   6.509
  637    HB2  PRO  87           HB2      PRO  87 -15.434  -9.998   4.450
  638    HB3  PRO  87           HB1      PRO  87 -15.314 -11.010   5.890
  639    HG2  PRO  87           HG2      PRO  87 -17.125  -9.035   5.692
  640    HG3  PRO  87           HG1      PRO  87 -16.353  -9.450   7.236
  641    HD2  PRO  87           HD2      PRO  87 -15.706  -7.223   5.333
  642    HD3  PRO  87           HD1      PRO  87 -15.853  -7.179   7.103
  643    HA   PRO  88           HA       PRO  88 -12.115  -8.565   1.776
  644    HB2  PRO  88           HB2      PRO  88  -9.866  -7.146   2.890
  645    HB3  PRO  88           HB1      PRO  88 -11.094  -6.558   1.766
  646    HG2  PRO  88           HG2      PRO  88 -10.970  -6.296   4.717
  647    HG3  PRO  88           HG1      PRO  88 -11.793  -5.278   3.521
  648    HD2  PRO  88           HD2      PRO  88 -13.144  -6.845   5.133
  649    HD3  PRO  88           HD1      PRO  88 -13.626  -6.643   3.440
  650    H    SER  89           HN       SER  89 -10.304  -9.513   0.836
  651    HA   SER  89           HA       SER  89  -8.142 -10.704   2.061
  652    HB2  SER  89           HB2      SER  89  -9.884 -12.076   3.249
  653    HB3  SER  89           HB1      SER  89 -10.415 -12.677   1.680
  654    HG   SER  89           HG       SER  89  -7.869 -13.034   2.889
  655    H    GLU  90           HN       GLU  90  -7.039 -10.278   0.262
  656    HA   GLU  90           HA       GLU  90  -6.159 -10.548  -1.803
  657    HB2  GLU  90           HB2      GLU  90  -6.633 -12.940  -1.662
  658    HB3  GLU  90           HB1      GLU  90  -8.285 -12.663  -2.198
  659    HG2  GLU  90           HG2      GLU  90  -7.386 -11.772  -4.332
  660    HG3  GLU  90           HG1      GLU  90  -5.770 -12.223  -3.792
  661    H    GLN  91           HN       GLN  91  -9.730 -10.878  -2.158
  662    HA   GLN  91           HA       GLN  91  -9.877  -9.346  -4.509
  663    HB2  GLN  91           HB2      GLN  91 -11.567 -10.973  -3.822
  664    HB3  GLN  91           HB1      GLN  91 -11.935 -10.020  -2.394
  665    HG2  GLN  91           HG2      GLN  91 -12.663  -8.176  -3.926
  666    HG3  GLN  91           HG1      GLN  91 -12.489  -9.314  -5.263
  667   HE21  GLN  91          HE21      GLN  91 -14.856  -7.952  -4.238
  668   HE22  GLN  91          HE22      GLN  91 -15.994  -9.197  -3.844
  669    HA   PRO  92           HA       PRO  92  -9.800  -5.168  -2.854
  670    HB2  PRO  92           HB2      PRO  92 -11.080  -3.939  -4.919
  671    HB3  PRO  92           HB1      PRO  92  -9.385  -4.434  -4.985
  672    HG2  PRO  92           HG2      PRO  92 -11.805  -5.812  -6.079
  673    HG3  PRO  92           HG1      PRO  92 -10.218  -5.572  -6.831
  674    HD2  PRO  92           HD2      PRO  92 -10.930  -7.908  -5.687
  675    HD3  PRO  92           HD1      PRO  92  -9.257  -7.312  -5.656
  676    H    GLY  93           HN       GLY  93 -11.877  -3.308  -3.500
  677    HA2  GLY  93           HA2      GLY  93 -14.152  -2.925  -2.909
  678    HA3  GLY  93           HA1      GLY  93 -14.178  -4.486  -2.094
  679    H    THR  94           HN       THR  94 -14.973  -1.894  -0.947
  680    HA   THR  94           HA       THR  94 -13.064  -1.783   1.228
  681    HB   THR  94           HB       THR  94 -13.031   0.763   1.073
  682    HG1  THR  94           HG1      THR  94 -13.588   0.256  -1.671
  683   HG21  THR  94          HG21      THR  94 -11.072  -0.612   0.621
  684   HG22  THR  94          HG22      THR  94 -11.140   0.748  -0.497
  685   HG23  THR  94          HG23      THR  94 -11.611  -0.861  -1.039
  686    H    ASP  95           HN       ASP  95 -13.893  -1.076   3.139
  687    HA   ASP  95           HA       ASP  95 -16.438   0.276   3.277
  688    HB2  ASP  95           HB2      ASP  95 -17.105  -2.110   3.112
  689    HB3  ASP  95           HB1      ASP  95 -16.109  -2.470   4.520
  690    H    GLY  96           HN       GLY  96 -15.790   1.898   4.530
  691    HA2  GLY  96           HA2      GLY  96 -15.404   2.159   7.083
  692    HA3  GLY  96           HA1      GLY  96 -13.896   1.337   6.710
  693    H    GLN  97           HN       GLN  97 -14.040   3.911   7.845
  694    HA   GLN  97           HA       GLN  97 -12.263   5.307   6.151
  695    HB2  GLN  97           HB2      GLN  97 -13.627   7.363   5.821
  696    HB3  GLN  97           HB1      GLN  97 -14.208   5.976   4.908
  697    HG2  GLN  97           HG2      GLN  97 -15.972   5.615   6.531
  698    HG3  GLN  97           HG1      GLN  97 -15.376   6.957   7.508
  699   HE21  GLN  97          HE21      GLN  97 -15.709   9.050   6.826
  700   HE22  GLN  97          HE22      GLN  97 -16.817   9.457   5.552
  Start of MODEL    5
    1    H    ASP   1           HN       ASP   1  23.135   8.874   1.532
    2    HA   ASP   1           HA       ASP   1  23.768   7.875  -1.074
    3    HB2  ASP   1           HB2      ASP   1  25.544   9.641  -0.636
    4    HB3  ASP   1           HB1      ASP   1  26.155   8.574   0.627
    5    HA   PRO   2           HA       PRO   2  25.238   4.691   2.213
    6    HB2  PRO   2           HB2      PRO   2  24.800   5.824   4.859
    7    HB3  PRO   2           HB1      PRO   2  26.290   5.196   4.152
    8    HG2  PRO   2           HG2      PRO   2  25.914   7.827   4.682
    9    HG3  PRO   2           HG1      PRO   2  26.931   7.251   3.349
   10    HD2  PRO   2           HD2      PRO   2  24.110   8.262   3.278
   11    HD3  PRO   2           HD1      PRO   2  25.460   8.617   2.177
   12    H    VAL   3           HN       VAL   3  22.505   5.711   1.474
   13    HA   VAL   3           HA       VAL   3  20.831   4.572   3.578
   14    HB   VAL   3           HB       VAL   3  19.977   5.766   0.928
   15   HG11  VAL   3          HG11      VAL   3  18.315   4.277   1.885
   16   HG12  VAL   3          HG12      VAL   3  17.774   5.951   1.999
   17   HG13  VAL   3          HG13      VAL   3  18.408   5.131   3.426
   18   HG21  VAL   3          HG21      VAL   3  19.367   7.767   2.256
   19   HG22  VAL   3          HG22      VAL   3  21.104   7.466   2.218
   20   HG23  VAL   3          HG23      VAL   3  20.168   7.047   3.653
   21    H    LYS   4           HN       LYS   4  20.081   2.551   3.495
   22    HA   LYS   4           HA       LYS   4  21.042   0.697   1.613
   23    HB2  LYS   4           HB2      LYS   4  18.683   0.395   3.480
   24    HB3  LYS   4           HB1      LYS   4  19.565  -0.913   2.705
   25    HG2  LYS   4           HG2      LYS   4  21.588  -0.241   3.947
   26    HG3  LYS   4           HG1      LYS   4  20.641   1.002   4.765
   27    HD2  LYS   4           HD2      LYS   4  20.794  -0.910   6.204
   28    HD3  LYS   4           HD1      LYS   4  19.138  -0.792   5.609
   29    HE2  LYS   4           HE2      LYS   4  19.841  -3.093   5.522
   30    HE3  LYS   4           HE1      LYS   4  19.677  -2.473   3.879
   31    HZ1  LYS   4           HZ1      LYS   4  21.685  -3.775   4.110
   32    HZ2  LYS   4           HZ2      LYS   4  22.223  -2.788   5.380
   33    HZ3  LYS   4           HZ3      LYS   4  22.085  -2.151   3.811
   34    HA   PRO   5           HA       PRO   5  18.317   1.313  -1.812
   35    HB2  PRO   5           HB2      PRO   5  18.801  -1.539  -2.415
   36    HB3  PRO   5           HB1      PRO   5  19.148  -0.109  -3.392
   37    HG2  PRO   5           HG2      PRO   5  21.112  -1.488  -2.209
   38    HG3  PRO   5           HG1      PRO   5  21.174   0.280  -2.345
   39    HD2  PRO   5           HD2      PRO   5  20.466  -1.417   0.019
   40    HD3  PRO   5           HD1      PRO   5  21.438   0.068  -0.053
   41    H    SER   6           HN       SER   6  16.431   1.505  -0.603
   42    HA   SER   6           HA       SER   6  14.201   1.058  -0.351
   43    HB2  SER   6           HB2      SER   6  14.869  -1.650  -1.537
   44    HB3  SER   6           HB1      SER   6  13.243  -1.112  -1.118
   45    HG   SER   6           HG       SER   6  14.968   0.210  -2.956
   46    H    ARG   7           HN       ARG   7  15.897   1.064   1.640
   47    HA   ARG   7           HA       ARG   7  16.052   0.620   3.842
   48    HB2  ARG   7           HB2      ARG   7  13.593   0.471   3.752
   49    HB3  ARG   7           HB1      ARG   7  13.721  -1.250   3.410
   50    HG2  ARG   7           HG2      ARG   7  13.194  -0.881   5.740
   51    HG3  ARG   7           HG1      ARG   7  14.802  -1.593   5.580
   52    HD2  ARG   7           HD2      ARG   7  15.583   0.901   5.594
   53    HD3  ARG   7           HD1      ARG   7  14.022   1.184   6.363
   54    HE   ARG   7           HE       ARG   7  15.215  -0.922   7.723
   55   HH11  ARG   7          HH11      ARG   7  15.785   2.480   7.141
   56   HH12  ARG   7          HH12      ARG   7  16.739   2.709   8.572
   57   HH21  ARG   7          HH21      ARG   7  16.497  -0.650   9.601
   58   HH22  ARG   7          HH22      ARG   7  17.125   0.924   9.984
   59    H    GLY   8           HN       GLY   8  16.411  -1.814   1.553
   60    HA2  GLY   8           HA2      GLY   8  18.485  -3.133   1.906
   61    HA3  GLY   8           HA1      GLY   8  17.876  -3.464   3.520
   62    HA   PRO   9           HA       PRO   9  16.002  -7.181   2.108
   63    HB2  PRO   9           HB2      PRO   9  13.493  -6.608   3.515
   64    HB3  PRO   9           HB1      PRO   9  14.692  -7.865   3.831
   65    HG2  PRO   9           HG2      PRO   9  14.351  -5.757   5.480
   66    HG3  PRO   9           HG1      PRO   9  15.931  -6.521   5.228
   67    HD2  PRO   9           HD2      PRO   9  14.841  -3.986   4.069
   68    HD3  PRO   9           HD1      PRO   9  16.477  -4.343   4.666
   69    H    LEU  10           HN       LEU  10  15.403  -7.332   0.034
   70    HA   LEU  10           HA       LEU  10  13.515  -5.462  -1.079
   71    HB2  LEU  10           HB2      LEU  10  14.974  -7.771  -2.351
   72    HB3  LEU  10           HB1      LEU  10  13.966  -6.617  -3.203
   73    HG   LEU  10           HG       LEU  10  16.514  -5.955  -1.726
   74   HD11  LEU  10          HD11      LEU  10  15.919  -6.106  -4.677
   75   HD12  LEU  10          HD12      LEU  10  16.927  -7.227  -3.759
   76   HD13  LEU  10          HD13      LEU  10  17.430  -5.548  -3.959
   77   HD21  LEU  10          HD21      LEU  10  14.930  -4.107  -1.671
   78   HD22  LEU  10          HD22      LEU  10  14.706  -4.229  -3.417
   79   HD23  LEU  10          HD23      LEU  10  16.269  -3.742  -2.761
   80    H    VAL  11           HN       VAL  11  11.505  -5.811  -0.487
   81    HA   VAL  11           HA       VAL  11  10.346  -8.472  -0.845
   82    HB   VAL  11           HB       VAL  11   9.250  -6.044   0.597
   83   HG11  VAL  11          HG11      VAL  11   7.459  -7.256  -0.505
   84   HG12  VAL  11          HG12      VAL  11   7.380  -7.461   1.245
   85   HG13  VAL  11          HG13      VAL  11   8.009  -8.761   0.232
   86   HG21  VAL  11          HG21      VAL  11  10.172  -8.727   1.605
   87   HG22  VAL  11          HG22      VAL  11   9.423  -7.462   2.582
   88   HG23  VAL  11          HG23      VAL  11  10.992  -7.180   1.827
   89    H    THR  12           HN       THR  12   9.679  -8.745  -2.870
   90    HA   THR  12           HA       THR  12   8.523  -6.563  -4.366
   91    HB   THR  12           HB       THR  12   9.216  -9.395  -4.993
   92    HG1  THR  12           HG1      THR  12   9.711  -6.838  -6.070
   93   HG21  THR  12          HG21      THR  12   7.301  -7.735  -6.640
   94   HG22  THR  12          HG22      THR  12   6.922  -9.250  -5.818
   95   HG23  THR  12          HG23      THR  12   8.060  -9.239  -7.170
   96    H    CYS  13           HN       CYS  13   6.418  -6.279  -4.867
   97    HA   CYS  13           HA       CYS  13   4.507  -8.327  -4.102
   98    HB2  CYS  13           HB2      CYS  13   4.843  -5.879  -2.626
   99    HB3  CYS  13           HB1      CYS  13   3.293  -5.857  -3.454
  100    H    THR  14           HN       THR  14   2.534  -8.163  -5.191
  101    HA   THR  14           HA       THR  14   2.286  -7.213  -7.745
  102    HB   THR  14           HB       THR  14   0.201  -7.412  -5.546
  103    HG1  THR  14           HG1      THR  14   1.457  -9.214  -7.260
  104   HG21  THR  14          HG21      THR  14  -0.287  -7.345  -8.526
  105   HG22  THR  14          HG22      THR  14  -0.621  -6.011  -7.418
  106   HG23  THR  14          HG23      THR  14  -1.495  -7.541  -7.253
  107    H    CYS  15           HN       CYS  15   1.923  -5.254  -8.655
  108    HA   CYS  15           HA       CYS  15   1.534  -2.996  -6.835
  109    HB2  CYS  15           HB2      CYS  15   3.699  -3.406  -8.792
  110    HB3  CYS  15           HB1      CYS  15   2.918  -1.838  -8.899
  111    H    GLU  16           HN       GLU  16   0.349  -1.249  -7.740
  112    HA   GLU  16           HA       GLU  16  -0.623  -1.381 -10.429
  113    HB2  GLU  16           HB2      GLU  16  -1.991  -3.053  -8.874
  114    HB3  GLU  16           HB1      GLU  16  -2.805  -1.567  -8.388
  115    HG2  GLU  16           HG2      GLU  16  -2.607  -2.636 -11.196
  116    HG3  GLU  16           HG1      GLU  16  -4.023  -2.704 -10.152
  117    H    SER  17           HN       SER  17   0.311   0.722 -10.399
  118    HA   SER  17           HA       SER  17   0.000   2.956 -10.566
  119    HB2  SER  17           HB2      SER  17  -2.605   1.882 -10.249
  120    HB3  SER  17           HB1      SER  17  -2.506   3.402  -9.360
  121    HG   SER  17           HG       SER  17  -1.783   2.978 -12.088
  122    HA   PRO  18           HA       PRO  18   0.003   4.033  -5.983
  123    HB2  PRO  18           HB2      PRO  18   1.505   2.185  -4.594
  124    HB3  PRO  18           HB1      PRO  18  -0.236   2.038  -4.845
  125    HG2  PRO  18           HG2      PRO  18   1.829   0.358  -5.871
  126    HG3  PRO  18           HG1      PRO  18   0.092   0.264  -6.210
  127    HD2  PRO  18           HD2      PRO  18   2.259   1.592  -7.780
  128    HD3  PRO  18           HD1      PRO  18   0.781   0.790  -8.355
  129    H    HIS  19           HN       HIS  19   2.740   2.481  -5.085
  130    HA   HIS  19           HA       HIS  19   4.630   4.574  -5.672
  131    HB2  HIS  19           HB2      HIS  19   6.158   2.896  -4.431
  132    HB3  HIS  19           HB1      HIS  19   4.842   3.630  -3.505
  133    HD1  HIS  19           HD1      HIS  19   3.143   2.060  -2.503
  134    HD2  HIS  19           HD2      HIS  19   5.499   0.279  -5.395
  135    HE1  HIS  19           HE1      HIS  19   2.298  -0.319  -2.721
  136    HE2  HIS  19           HE2      HIS  19   3.536  -1.210  -4.717
  137    H    CYS  20           HN       CYS  20   3.268   2.626  -7.655
  138    HA   CYS  20           HA       CYS  20   5.670   1.881  -9.145
  139    HB2  CYS  20           HB2      CYS  20   3.286   0.096  -8.566
  140    HB3  CYS  20           HB1      CYS  20   4.458  -0.235  -9.835
  141    H    LYS  21           HN       LYS  21   5.098   1.562 -11.483
  142    HA   LYS  21           HA       LYS  21   3.050   3.524 -12.170
  143    HB2  LYS  21           HB2      LYS  21   5.168   2.301 -13.933
  144    HB3  LYS  21           HB1      LYS  21   4.090   3.614 -14.376
  145    HG2  LYS  21           HG2      LYS  21   5.551   5.078 -13.607
  146    HG3  LYS  21           HG1      LYS  21   5.438   4.360 -11.996
  147    HD2  LYS  21           HD2      LYS  21   7.244   3.405 -14.220
  148    HD3  LYS  21           HD1      LYS  21   7.751   4.377 -12.837
  149    HE2  LYS  21           HE2      LYS  21   7.206   2.622 -11.313
  150    HE3  LYS  21           HE1      LYS  21   6.430   1.683 -12.586
  151    HZ1  LYS  21           HZ1      LYS  21   9.325   2.369 -12.563
  152    HZ2  LYS  21           HZ2      LYS  21   8.530   1.307 -13.625
  153    HZ3  LYS  21           HZ3      LYS  21   8.690   0.904 -11.989
  154    H    GLY  22           HN       GLY  22   2.877   0.447 -11.574
  155    HA2  GLY  22           HA2      GLY  22   0.630  -0.248 -12.927
  156    HA3  GLY  22           HA1      GLY  22   1.915  -0.531 -14.099
  157    HA   PRO  23           HA       PRO  23   2.523  -4.329 -12.987
  158    HB2  PRO  23           HB2      PRO  23   5.082  -4.790 -13.429
  159    HB3  PRO  23           HB1      PRO  23   4.055  -4.127 -14.680
  160    HG2  PRO  23           HG2      PRO  23   6.006  -2.737 -12.880
  161    HG3  PRO  23           HG1      PRO  23   5.732  -2.512 -14.618
  162    HD2  PRO  23           HD2      PRO  23   4.646  -0.896 -12.651
  163    HD3  PRO  23           HD1      PRO  23   3.970  -1.111 -14.280
  164    H    THR  24           HN       THR  24   5.721  -4.205 -11.760
  165    HA   THR  24           HA       THR  24   4.864  -4.721  -9.022
  166    HB   THR  24           HB       THR  24   6.532  -6.660  -8.997
  167    HG1  THR  24           HG1      THR  24   6.250  -7.535 -11.425
  168   HG21  THR  24          HG21      THR  24   4.866  -8.276  -9.805
  169   HG22  THR  24          HG22      THR  24   3.977  -6.963 -10.578
  170   HG23  THR  24          HG23      THR  24   4.125  -7.013  -8.821
  171    H    CYS  25           HN       CYS  25   7.027  -5.120  -7.670
  172    HA   CYS  25           HA       CYS  25   9.308  -3.648  -8.601
  173    HB2  CYS  25           HB2      CYS  25   8.865  -1.616  -7.733
  174    HB3  CYS  25           HB1      CYS  25   7.216  -2.157  -7.516
  175    H    ARG  26           HN       ARG  26  11.140  -4.126  -7.325
  176    HA   ARG  26           HA       ARG  26  10.737  -5.595  -4.850
  177    HB2  ARG  26           HB2      ARG  26  13.238  -4.799  -6.349
  178    HB3  ARG  26           HB1      ARG  26  13.260  -5.574  -4.768
  179    HG2  ARG  26           HG2      ARG  26  12.052  -7.485  -5.713
  180    HG3  ARG  26           HG1      ARG  26  12.103  -6.716  -7.298
  181    HD2  ARG  26           HD2      ARG  26  14.514  -6.821  -7.320
  182    HD3  ARG  26           HD1      ARG  26  14.529  -7.460  -5.675
  183    HE   ARG  26           HE       ARG  26  12.964  -9.119  -7.349
  184   HH11  ARG  26          HH11      ARG  26  16.313  -8.273  -6.741
  185   HH12  ARG  26          HH12      ARG  26  16.916  -9.830  -7.221
  186   HH21  ARG  26          HH21      ARG  26  13.752 -11.142  -7.983
  187   HH22  ARG  26          HH22      ARG  26  15.461 -11.465  -7.924
  188    H    GLY  27           HN       GLY  27  10.246  -4.416  -3.140
  189    HA2  GLY  27           HA2      GLY  27  11.602  -1.808  -2.836
  190    HA3  GLY  27           HA1      GLY  27   9.982  -2.150  -2.239
  191    H    ALA  28           HN       ALA  28  10.004  -2.159  -0.181
  192    HA   ALA  28           HA       ALA  28  12.302  -3.332   1.286
  193    HB1  ALA  28           HB1      ALA  28  10.310  -1.301   2.304
  194    HB2  ALA  28           HB2      ALA  28  11.897  -0.887   1.643
  195    HB3  ALA  28           HB3      ALA  28  11.782  -1.853   3.115
  196    H    TRP  29           HN       TRP  29   8.912  -3.061   0.902
  197    HA   TRP  29           HA       TRP  29   8.244  -5.555   1.975
  198    HB2  TRP  29           HB2      TRP  29   6.835  -4.571   3.898
  199    HB3  TRP  29           HB1      TRP  29   8.568  -4.722   4.168
  200    HD1  TRP  29           HD1      TRP  29   6.860  -1.835   2.263
  201    HE1  TRP  29           HE1      TRP  29   7.368   0.348   3.484
  202    HE3  TRP  29           HE3      TRP  29   9.342  -3.742   6.298
  203    HZ2  TRP  29           HZ2      TRP  29   8.673   1.180   5.852
  204    HZ3  TRP  29           HZ3      TRP  29  10.198  -2.180   7.997
  205    HH2  TRP  29           HH2      TRP  29   9.869   0.230   7.776
  206    H    CYS  30           HN       CYS  30   5.649  -5.371   2.428
  207    HA   CYS  30           HA       CYS  30   4.786  -4.382  -0.175
  208    HB2  CYS  30           HB2      CYS  30   3.515  -6.317   1.759
  209    HB3  CYS  30           HB1      CYS  30   2.734  -5.768   0.277
  210    H    THR  31           HN       THR  31   3.760  -2.557  -0.360
  211    HA   THR  31           HA       THR  31   2.355  -1.486   2.000
  212    HB   THR  31           HB       THR  31   2.559   0.730   0.796
  213    HG1  THR  31           HG1      THR  31   4.801   0.117  -0.534
  214   HG21  THR  31          HG21      THR  31   4.871   1.109   1.507
  215   HG22  THR  31          HG22      THR  31   5.109  -0.633   1.641
  216   HG23  THR  31          HG23      THR  31   3.968   0.183   2.711
  217    H    VAL  32           HN       VAL  32   0.262  -1.513   1.917
  218    HA   VAL  32           HA       VAL  32  -1.056  -1.691  -0.711
  219    HB   VAL  32           HB       VAL  32  -2.806  -2.889   0.250
  220   HG11  VAL  32          HG11      VAL  32  -0.367  -3.685   1.825
  221   HG12  VAL  32          HG12      VAL  32  -0.815  -4.250   0.215
  222   HG13  VAL  32          HG13      VAL  32  -1.808  -4.677   1.608
  223   HG21  VAL  32          HG21      VAL  32  -3.265  -3.058   2.650
  224   HG22  VAL  32          HG22      VAL  32  -3.337  -1.393   2.074
  225   HG23  VAL  32          HG23      VAL  32  -1.928  -1.955   2.975
  226    H    VAL  33           HN       VAL  33  -2.695  -0.202  -1.183
  227    HA   VAL  33           HA       VAL  33  -3.173   1.919   0.745
  228    HB   VAL  33           HB       VAL  33  -2.544   3.008  -1.898
  229   HG11  VAL  33          HG11      VAL  33  -1.607   3.730   0.860
  230   HG12  VAL  33          HG12      VAL  33  -3.073   4.343   0.084
  231   HG13  VAL  33          HG13      VAL  33  -1.488   4.735  -0.587
  232   HG21  VAL  33          HG21      VAL  33  -0.104   2.992  -1.598
  233   HG22  VAL  33          HG22      VAL  33  -0.758   1.379  -1.876
  234   HG23  VAL  33          HG23      VAL  33  -0.296   1.873  -0.247
  235    H    LEU  34           HN       LEU  34  -5.299   1.986   0.789
  236    HA   LEU  34           HA       LEU  34  -6.812   1.761  -1.691
  237    HB2  LEU  34           HB2      LEU  34  -7.615   0.542   0.315
  238    HB3  LEU  34           HB1      LEU  34  -7.805   2.073   1.147
  239    HG   LEU  34           HG       LEU  34  -9.487   2.737  -0.594
  240   HD11  LEU  34          HD11      LEU  34  -8.761   1.237  -2.369
  241   HD12  LEU  34          HD12      LEU  34 -10.465   0.993  -1.981
  242   HD13  LEU  34          HD13      LEU  34  -9.254  -0.155  -1.404
  243   HD21  LEU  34          HD21      LEU  34 -11.277   1.325   0.310
  244   HD22  LEU  34          HD22      LEU  34 -10.196   1.919   1.570
  245   HD23  LEU  34          HD23      LEU  34 -10.064   0.252   1.009
  246    H    VAL  35           HN       VAL  35  -7.290   3.505  -2.799
  247    HA   VAL  35           HA       VAL  35  -7.390   6.121  -1.549
  248    HB   VAL  35           HB       VAL  35  -8.243   5.276  -4.335
  249   HG11  VAL  35          HG11      VAL  35  -8.019   7.652  -4.891
  250   HG12  VAL  35          HG12      VAL  35  -7.669   8.006  -3.200
  251   HG13  VAL  35          HG13      VAL  35  -9.249   7.372  -3.660
  252   HG21  VAL  35          HG21      VAL  35  -5.896   4.793  -4.037
  253   HG22  VAL  35          HG22      VAL  35  -5.615   6.405  -3.380
  254   HG23  VAL  35          HG23      VAL  35  -6.076   6.212  -5.071
  255    H    ARG  36           HN       ARG  36  -9.099   6.353  -0.172
  256    HA   ARG  36           HA       ARG  36 -11.455   4.765  -0.470
  257    HB2  ARG  36           HB2      ARG  36 -10.462   5.464   1.725
  258    HB3  ARG  36           HB1      ARG  36 -11.036   7.093   1.406
  259    HG2  ARG  36           HG2      ARG  36 -12.541   5.891   2.895
  260    HG3  ARG  36           HG1      ARG  36 -13.335   6.299   1.374
  261    HD2  ARG  36           HD2      ARG  36 -12.542   3.919   0.649
  262    HD3  ARG  36           HD1      ARG  36 -12.419   3.639   2.387
  263    HE   ARG  36           HE       ARG  36 -14.896   4.629   2.197
  264   HH11  ARG  36          HH11      ARG  36 -13.267   2.126   0.354
  265   HH12  ARG  36          HH12      ARG  36 -14.735   1.298  -0.066
  266   HH21  ARG  36          HH21      ARG  36 -16.829   3.521   1.651
  267   HH22  ARG  36          HH22      ARG  36 -16.745   2.085   0.673
  268    H    GLU  37           HN       GLU  37 -13.673   5.757  -0.404
  269    HA   GLU  37           HA       GLU  37 -13.794   7.641  -2.610
  270    HB2  GLU  37           HB2      GLU  37 -14.907   5.483  -2.835
  271    HB3  GLU  37           HB1      GLU  37 -15.927   5.840  -1.456
  272    HG2  GLU  37           HG2      GLU  37 -16.993   7.644  -2.677
  273    HG3  GLU  37           HG1      GLU  37 -15.894   7.403  -4.035
  274    H    GLU  38           HN       GLU  38 -16.669   7.470  -0.719
  275    HA   GLU  38           HA       GLU  38 -17.986   9.242  -0.193
  276    HB2  GLU  38           HB2      GLU  38 -16.677   8.590   1.908
  277    HB3  GLU  38           HB1      GLU  38 -15.727  10.046   1.625
  278    HG2  GLU  38           HG2      GLU  38 -17.581  10.367   3.231
  279    HG3  GLU  38           HG1      GLU  38 -17.679  11.425   1.823
  280    H    GLY  39           HN       GLY  39 -17.944  10.316  -2.180
  281    HA2  GLY  39           HA2      GLY  39 -17.734  12.353  -3.329
  282    HA3  GLY  39           HA1      GLY  39 -16.466  12.834  -2.205
  283    H    ARG  40           HN       ARG  40 -14.638  10.934  -2.319
  284    HA   ARG  40           HA       ARG  40 -13.472  11.110  -4.921
  285    HB2  ARG  40           HB2      ARG  40 -12.432  10.990  -2.510
  286    HB3  ARG  40           HB1      ARG  40 -12.496   9.256  -2.778
  287    HG2  ARG  40           HG2      ARG  40 -11.018   9.420  -4.649
  288    HG3  ARG  40           HG1      ARG  40 -11.121  11.183  -4.638
  289    HD2  ARG  40           HD2      ARG  40 -10.133  11.157  -2.348
  290    HD3  ARG  40           HD1      ARG  40  -9.894   9.419  -2.522
  291    HE   ARG  40           HE       ARG  40  -8.616  10.338  -4.686
  292   HH11  ARG  40          HH11      ARG  40  -8.505  11.471  -1.354
  293   HH12  ARG  40          HH12      ARG  40  -6.834  11.969  -1.452
  294   HH21  ARG  40          HH21      ARG  40  -6.450  11.003  -4.807
  295   HH22  ARG  40          HH22      ARG  40  -5.672  11.700  -3.418
  296    H    HIS  41           HN       HIS  41 -12.454   8.126  -4.284
  297    HA   HIS  41           HA       HIS  41 -14.644   6.451  -4.915
  298    HB2  HIS  41           HB2      HIS  41 -14.427   7.640  -7.097
  299    HB3  HIS  41           HB1      HIS  41 -12.776   7.048  -7.226
  300    HD1  HIS  41           HD1      HIS  41 -16.267   5.557  -6.823
  301    HD2  HIS  41           HD2      HIS  41 -12.586   4.751  -8.587
  302    HE1  HIS  41           HE1      HIS  41 -16.599   3.443  -8.150
  303    HE2  HIS  41           HE2      HIS  41 -14.402   3.057  -9.330
  304    HA   PRO  42           HA       PRO  42 -11.528   3.916  -3.171
  305    HB2  PRO  42           HB2      PRO  42 -12.809   1.560  -3.092
  306    HB3  PRO  42           HB1      PRO  42 -13.287   2.929  -2.084
  307    HG2  PRO  42           HG2      PRO  42 -14.529   1.900  -4.590
  308    HG3  PRO  42           HG1      PRO  42 -15.301   2.573  -3.144
  309    HD2  PRO  42           HD2      PRO  42 -14.848   3.959  -5.504
  310    HD3  PRO  42           HD1      PRO  42 -15.137   4.706  -3.923
  311    H    GLN  43           HN       GLN  43  -9.738   3.326  -4.109
  312    HA   GLN  43           HA       GLN  43  -9.813   1.267  -6.196
  313    HB2  GLN  43           HB2      GLN  43  -8.154   3.795  -6.307
  314    HB3  GLN  43           HB1      GLN  43  -8.045   2.458  -7.445
  315    HG2  GLN  43           HG2      GLN  43 -10.309   2.873  -8.192
  316    HG3  GLN  43           HG1      GLN  43 -10.495   4.147  -6.988
  317   HE21  GLN  43          HE21      GLN  43  -7.787   5.132  -7.365
  318   HE22  GLN  43          HE22      GLN  43  -7.772   5.971  -8.878
  319    H    GLU  44           HN       GLU  44  -8.505  -0.370  -5.715
  320    HA   GLU  44           HA       GLU  44  -6.662  -0.188  -3.497
  321    HB2  GLU  44           HB2      GLU  44  -7.235  -2.450  -5.421
  322    HB3  GLU  44           HB1      GLU  44  -6.190  -2.571  -4.017
  323    HG2  GLU  44           HG2      GLU  44  -8.060  -2.240  -2.529
  324    HG3  GLU  44           HG1      GLU  44  -9.133  -1.941  -3.905
  325    H    HIS  45           HN       HIS  45  -4.797   0.868  -3.883
  326    HA   HIS  45           HA       HIS  45  -3.230  -0.033  -6.216
  327    HB2  HIS  45           HB2      HIS  45  -3.102   2.627  -4.760
  328    HB3  HIS  45           HB1      HIS  45  -1.938   2.110  -5.970
  329    HD1  HIS  45           HD1      HIS  45  -3.543   4.668  -6.453
  330    HD2  HIS  45           HD2      HIS  45  -4.748   0.901  -7.754
  331    HE1  HIS  45           HE1      HIS  45  -5.115   5.079  -8.370
  332    HE2  HIS  45           HE2      HIS  45  -5.617   2.788  -9.294
  333    H    ARG  46           HN       ARG  46  -1.594  -1.341  -5.679
  334    HA   ARG  46           HA       ARG  46  -0.612  -1.260  -2.903
  335    HB2  ARG  46           HB2      ARG  46  -0.780  -3.992  -3.598
  336    HB3  ARG  46           HB1      ARG  46  -1.664  -3.137  -2.344
  337    HG2  ARG  46           HG2      ARG  46  -3.467  -2.662  -3.887
  338    HG3  ARG  46           HG1      ARG  46  -2.562  -3.403  -5.209
  339    HD2  ARG  46           HD2      ARG  46  -2.706  -5.561  -4.199
  340    HD3  ARG  46           HD1      ARG  46  -3.353  -4.880  -2.705
  341    HE   ARG  46           HE       ARG  46  -5.275  -4.169  -4.332
  342   HH11  ARG  46          HH11      ARG  46  -3.517  -7.189  -4.308
  343   HH12  ARG  46          HH12      ARG  46  -4.845  -8.116  -4.937
  344   HH21  ARG  46          HH21      ARG  46  -7.063  -5.411  -5.108
  345   HH22  ARG  46          HH22      ARG  46  -6.834  -7.113  -5.394
  346    H    GLY  47           HN       GLY  47   1.391  -2.496  -2.528
  347    HA2  GLY  47           HA2      GLY  47   2.775  -4.004  -4.385
  348    HA3  GLY  47           HA1      GLY  47   3.248  -2.346  -4.716
  349    H    CYS  48           HN       CYS  48   5.067  -1.739  -3.775
  350    HA   CYS  48           HA       CYS  48   5.919  -2.918  -1.244
  351    HB2  CYS  48           HB2      CYS  48   8.219  -2.795  -2.721
  352    HB3  CYS  48           HB1      CYS  48   7.260  -4.253  -2.515
  353    H    GLY  49           HN       GLY  49   6.427  -1.234   0.061
  354    HA2  GLY  49           HA2      GLY  49   7.006   1.381  -1.090
  355    HA3  GLY  49           HA1      GLY  49   6.906   0.988   0.633
  356    H    ASN  50           HN       ASN  50   9.041   2.234  -1.313
  357    HA   ASN  50           HA       ASN  50  11.181   0.301  -0.973
  358    HB2  ASN  50           HB2      ASN  50  11.163   2.984  -2.360
  359    HB3  ASN  50           HB1      ASN  50  12.527   1.870  -2.338
  360   HD21  ASN  50          HD21      ASN  50  12.414  -0.043  -3.517
  361   HD22  ASN  50          HD22      ASN  50  11.214  -0.296  -4.743
  362    H    LEU  51           HN       LEU  51  11.412   3.834  -0.597
  363    HA   LEU  51           HA       LEU  51  12.790   3.302   1.949
  364    HB2  LEU  51           HB2      LEU  51  13.543   5.590   0.149
  365    HB3  LEU  51           HB1      LEU  51  14.447   4.898   1.481
  366    HG   LEU  51           HG       LEU  51  14.450   2.762  -0.119
  367   HD11  LEU  51          HD11      LEU  51  14.301   5.093  -2.028
  368   HD12  LEU  51          HD12      LEU  51  13.109   3.805  -1.864
  369   HD13  LEU  51          HD13      LEU  51  14.731   3.436  -2.449
  370   HD21  LEU  51          HD21      LEU  51  16.418   3.859   0.804
  371   HD22  LEU  51          HD22      LEU  51  16.288   5.143  -0.398
  372   HD23  LEU  51          HD23      LEU  51  16.655   3.494  -0.904
  373    H    HIS  52           HN       HIS  52  10.001   4.051   1.429
  374    HA   HIS  52           HA       HIS  52   9.969   6.685   2.750
  375    HB2  HIS  52           HB2      HIS  52   8.040   5.496   0.761
  376    HB3  HIS  52           HB1      HIS  52   7.606   6.856   1.788
  377    HD1  HIS  52           HD1      HIS  52   8.637   9.150   1.238
  378    HD2  HIS  52           HD2      HIS  52   9.855   6.083  -1.306
  379    HE1  HIS  52           HE1      HIS  52   9.732  10.283  -0.727
  380    HE2  HIS  52           HE2      HIS  52  10.431   8.420  -2.275
  381    H    ARG  53           HN       ARG  53   9.226   6.699   4.762
  382    HA   ARG  53           HA       ARG  53   7.825   4.333   5.761
  383    HB2  ARG  53           HB2      ARG  53   9.726   6.149   6.866
  384    HB3  ARG  53           HB1      ARG  53   8.254   6.248   7.822
  385    HG2  ARG  53           HG2      ARG  53   9.789   3.736   7.198
  386    HG3  ARG  53           HG1      ARG  53   9.791   4.602   8.735
  387    HD2  ARG  53           HD2      ARG  53   7.305   4.220   8.823
  388    HD3  ARG  53           HD1      ARG  53   7.492   3.155   7.429
  389    HE   ARG  53           HE       ARG  53   9.114   2.596   9.789
  390   HH11  ARG  53          HH11      ARG  53   6.349   1.743   7.811
  391   HH12  ARG  53          HH12      ARG  53   6.157   0.182   8.544
  392   HH21  ARG  53          HH21      ARG  53   8.868   0.548  10.733
  393   HH22  ARG  53          HH22      ARG  53   7.567  -0.490  10.209
  394    H    GLU  54           HN       GLU  54   7.180   7.524   4.751
  395    HA   GLU  54           HA       GLU  54   4.891   8.066   6.333
  396    HB2  GLU  54           HB2      GLU  54   4.312   9.707   4.570
  397    HB3  GLU  54           HB1      GLU  54   5.978   9.856   5.110
  398    HG2  GLU  54           HG2      GLU  54   5.467   8.145   2.753
  399    HG3  GLU  54           HG1      GLU  54   5.280   9.883   2.548
  400    H    LEU  55           HN       LEU  55   5.479   5.839   3.872
  401    HA   LEU  55           HA       LEU  55   2.830   5.583   2.863
  402    HB2  LEU  55           HB2      LEU  55   5.121   3.618   2.860
  403    HB3  LEU  55           HB1      LEU  55   3.627   3.419   1.967
  404    HG   LEU  55           HG       LEU  55   5.659   5.609   1.526
  405   HD11  LEU  55          HD11      LEU  55   4.966   3.198  -0.143
  406   HD12  LEU  55          HD12      LEU  55   6.447   3.426   0.785
  407   HD13  LEU  55          HD13      LEU  55   6.097   4.476  -0.588
  408   HD21  LEU  55          HD21      LEU  55   4.317   6.179  -0.438
  409   HD22  LEU  55          HD22      LEU  55   3.387   6.365   1.049
  410   HD23  LEU  55          HD23      LEU  55   3.128   4.958   0.019
  411    H    CYS  56           HN       CYS  56   4.055   5.017   5.874
  412    HA   CYS  56           HA       CYS  56   1.837   3.151   6.435
  413    HB2  CYS  56           HB2      CYS  56   4.481   3.213   7.908
  414    HB3  CYS  56           HB1      CYS  56   3.164   2.071   8.147
  415    H    ARG  57           HN       ARG  57   2.373   6.219   6.602
  416    HA   ARG  57           HA       ARG  57   1.316   6.600   9.284
  417    HB2  ARG  57           HB2      ARG  57   3.950   7.697   8.311
  418    HB3  ARG  57           HB1      ARG  57   3.046   8.475   9.602
  419    HG2  ARG  57           HG2      ARG  57   3.312   6.639  11.039
  420    HG3  ARG  57           HG1      ARG  57   3.829   5.583   9.723
  421    HD2  ARG  57           HD2      ARG  57   5.673   6.351  11.218
  422    HD3  ARG  57           HD1      ARG  57   5.904   6.734   9.514
  423    HE   ARG  57           HE       ARG  57   4.883   9.015  10.290
  424   HH11  ARG  57          HH11      ARG  57   7.047   6.977  12.134
  425   HH12  ARG  57          HH12      ARG  57   7.894   8.311  12.863
  426   HH21  ARG  57          HH21      ARG  57   5.976  10.772  11.238
  427   HH22  ARG  57          HH22      ARG  57   7.285  10.481  12.345
  428    H    GLY  58           HN       GLY  58   1.000   9.140   9.553
  429    HA2  GLY  58           HA2      GLY  58   0.863  11.087   7.817
  430    HA3  GLY  58           HA1      GLY  58  -0.313  10.010   7.080
  431    H    ARG  59           HN       ARG  59  -2.240  10.946   7.391
  432    HA   ARG  59           HA       ARG  59  -3.077  11.552  10.118
  433    HB2  ARG  59           HB2      ARG  59  -3.388  13.501   7.821
  434    HB3  ARG  59           HB1      ARG  59  -4.070  13.697   9.425
  435    HG2  ARG  59           HG2      ARG  59  -1.841  13.879  10.370
  436    HG3  ARG  59           HG1      ARG  59  -1.133  13.628   8.773
  437    HD2  ARG  59           HD2      ARG  59  -2.918  15.918   9.592
  438    HD3  ARG  59           HD1      ARG  59  -1.175  15.999   9.339
  439    HE   ARG  59           HE       ARG  59  -2.004  15.111   6.962
  440   HH11  ARG  59          HH11      ARG  59  -3.201  17.723   8.969
  441   HH12  ARG  59          HH12      ARG  59  -3.772  18.664   7.620
  442   HH21  ARG  59          HH21      ARG  59  -2.729  16.349   5.183
  443   HH22  ARG  59          HH22      ARG  59  -3.510  17.882   5.469
  444    HA   PRO  60           HA       PRO  60  -6.844   9.758   8.433
  445    HB2  PRO  60           HB2      PRO  60  -8.281  11.034  10.633
  446    HB3  PRO  60           HB1      PRO  60  -8.024   9.315  10.323
  447    HG2  PRO  60           HG2      PRO  60  -6.841  10.626  12.377
  448    HG3  PRO  60           HG1      PRO  60  -6.084   9.252  11.552
  449    HD2  PRO  60           HD2      PRO  60  -5.561  12.183  11.226
  450    HD3  PRO  60           HD1      PRO  60  -4.409  10.829  11.269
  451    H    THR  61           HN       THR  61  -7.040  11.059   6.595
  452    HA   THR  61           HA       THR  61  -8.688  13.464   6.876
  453    HB   THR  61           HB       THR  61  -6.130  13.438   5.261
  454    HG1  THR  61           HG1      THR  61  -6.641  14.635   7.811
  455   HG21  THR  61          HG21      THR  61  -7.814  14.990   4.440
  456   HG22  THR  61          HG22      THR  61  -6.474  15.867   5.179
  457   HG23  THR  61          HG23      THR  61  -7.992  15.674   6.055
  458    H    GLU  62           HN       GLU  62  -6.821  11.860   4.284
  459    HA   GLU  62           HA       GLU  62  -9.053  12.116   2.450
  460    HB2  GLU  62           HB2      GLU  62  -6.353  10.813   2.107
  461    HB3  GLU  62           HB1      GLU  62  -7.511  11.107   0.820
  462    HG2  GLU  62           HG2      GLU  62  -7.288  13.508   1.157
  463    HG3  GLU  62           HG1      GLU  62  -6.135  13.219   2.462
  464    H    PHE  63           HN       PHE  63  -9.083  10.281   4.838
  465    HA   PHE  63           HA       PHE  63  -9.271   8.090   5.500
  466    HB2  PHE  63           HB2      PHE  63 -10.908   8.020   2.953
  467    HB3  PHE  63           HB1      PHE  63 -11.061   6.914   4.316
  468    HD1  PHE  63           HD1      PHE  63 -11.467   8.145   6.638
  469    HD2  PHE  63           HD2      PHE  63 -12.395   9.749   2.811
  470    HE1  PHE  63           HE1      PHE  63 -13.122   9.644   7.671
  471    HE2  PHE  63           HE2      PHE  63 -14.048  11.253   3.836
  472    HZ   PHE  63           HZ       PHE  63 -14.389  11.225   6.276
  473    H    VAL  64           HN       VAL  64  -6.924   8.574   3.977
  474    HA   VAL  64           HA       VAL  64  -6.555   6.603   1.971
  475    HB   VAL  64           HB       VAL  64  -5.229   8.681   2.065
  476   HG11  VAL  64          HG11      VAL  64  -4.943   8.847   4.479
  477   HG12  VAL  64          HG12      VAL  64  -3.384   8.910   3.655
  478   HG13  VAL  64          HG13      VAL  64  -3.895   7.427   4.462
  479   HG21  VAL  64          HG21      VAL  64  -3.041   7.682   1.543
  480   HG22  VAL  64          HG22      VAL  64  -4.374   6.808   0.786
  481   HG23  VAL  64          HG23      VAL  64  -3.594   6.152   2.225
  482    H    ASN  65           HN       ASN  65  -5.393   4.657   2.077
  483    HA   ASN  65           HA       ASN  65  -5.092   3.548   4.783
  484    HB2  ASN  65           HB2      ASN  65  -7.230   2.759   3.864
  485    HB3  ASN  65           HB1      ASN  65  -6.412   2.199   2.405
  486   HD21  ASN  65          HD21      ASN  65  -7.337   0.152   2.850
  487   HD22  ASN  65          HD22      ASN  65  -6.590  -0.904   4.002
  488    H    HIS  66           HN       HIS  66  -2.792   3.991   4.388
  489    HA   HIS  66           HA       HIS  66  -1.699   2.051   2.493
  490    HB2  HIS  66           HB2      HIS  66   0.491   3.408   2.886
  491    HB3  HIS  66           HB1      HIS  66  -0.715   3.967   1.752
  492    HD1  HIS  66           HD1      HIS  66  -0.838   6.398   1.841
  493    HD2  HIS  66           HD2      HIS  66  -0.180   4.767   5.611
  494    HE1  HIS  66           HE1      HIS  66  -0.752   8.347   3.419
  495    HE2  HIS  66           HE2      HIS  66  -0.088   7.349   5.628
  496    H    TYR  67           HN       TYR  67  -1.321   0.267   3.349
  497    HA   TYR  67           HA       TYR  67  -0.282   0.062   6.102
  498    HB2  TYR  67           HB2      TYR  67  -2.413  -1.141   5.613
  499    HB3  TYR  67           HB1      TYR  67  -1.600  -2.045   4.338
  500    HD1  TYR  67           HD1      TYR  67  -1.397  -1.404   8.019
  501    HD2  TYR  67           HD2      TYR  67  -0.670  -4.092   4.804
  502    HE1  TYR  67           HE1      TYR  67  -0.765  -3.154   9.630
  503    HE2  TYR  67           HE2      TYR  67  -0.038  -5.846   6.396
  504    HH   TYR  67           HH       TYR  67  -0.702  -5.682   9.680
  505    H    CYS  68           HN       CYS  68   1.414  -1.608   6.448
  506    HA   CYS  68           HA       CYS  68   2.827  -2.349   4.003
  507    HB2  CYS  68           HB2      CYS  68   4.973  -1.985   5.532
  508    HB3  CYS  68           HB1      CYS  68   4.300  -0.691   4.549
  509    H    CYS  69           HN       CYS  69   3.393  -4.381   3.929
  510    HA   CYS  69           HA       CYS  69   2.899  -6.050   6.295
  511    HB2  CYS  69           HB2      CYS  69   1.686  -6.501   4.136
  512    HB3  CYS  69           HB1      CYS  69   3.236  -6.896   3.407
  513    H    ASP  70           HN       ASP  70   4.392  -8.250   5.903
  514    HA   ASP  70           HA       ASP  70   7.131  -7.164   6.090
  515    HB2  ASP  70           HB2      ASP  70   6.083  -7.831   8.249
  516    HB3  ASP  70           HB1      ASP  70   5.938  -9.475   7.639
  517    H    SER  71           HN       SER  71   5.308  -9.023   4.095
  518    HA   SER  71           HA       SER  71   7.524 -10.841   3.500
  519    HB2  SER  71           HB2      SER  71   5.734 -12.608   3.052
  520    HB3  SER  71           HB1      SER  71   6.033 -12.213   4.745
  521    HG   SER  71           HG       SER  71   3.742 -12.093   3.417
  522    H    HIS  72           HN       HIS  72   7.624 -11.560   1.319
  523    HA   HIS  72           HA       HIS  72   6.743  -9.567  -0.528
  524    HB2  HIS  72           HB2      HIS  72   7.811 -11.003  -2.263
  525    HB3  HIS  72           HB1      HIS  72   8.878 -10.585  -0.932
  526    HD1  HIS  72           HD1      HIS  72   9.915 -12.469   0.368
  527    HD2  HIS  72           HD2      HIS  72   6.976 -13.760  -2.280
  528    HE1  HIS  72           HE1      HIS  72  10.119 -14.977   0.294
  529    HE2  HIS  72           HE2      HIS  72   8.200 -15.743  -1.148
  530    H    LEU  73           HN       LEU  73   5.120  -9.587  -1.929
  531    HA   LEU  73           HA       LEU  73   3.227 -10.159  -3.045
  532    HB2  LEU  73           HB2      LEU  73   3.944 -13.020  -2.392
  533    HB3  LEU  73           HB1      LEU  73   2.757 -12.495  -3.570
  534    HG   LEU  73           HG       LEU  73   5.753 -12.185  -3.724
  535   HD11  LEU  73          HD11      LEU  73   5.471 -13.503  -5.772
  536   HD12  LEU  73          HD12      LEU  73   3.742 -13.627  -5.442
  537   HD13  LEU  73          HD13      LEU  73   4.905 -14.368  -4.342
  538   HD21  LEU  73          HD21      LEU  73   3.641 -11.038  -5.547
  539   HD22  LEU  73          HD22      LEU  73   5.375 -11.054  -5.869
  540   HD23  LEU  73          HD23      LEU  73   4.739 -10.127  -4.509
  541    H    CYS  74           HN       CYS  74   2.989  -9.293  -0.547
  542    HA   CYS  74           HA       CYS  74   1.234 -11.111   0.945
  543    HB2  CYS  74           HB2      CYS  74   3.098 -10.158   2.200
  544    HB3  CYS  74           HB1      CYS  74   2.598  -8.530   1.759
  545    H    ASN  75           HN       ASN  75   1.325  -8.079  -0.770
  546    HA   ASN  75           HA       ASN  75  -1.277  -7.236   0.125
  547    HB2  ASN  75           HB2      ASN  75  -0.944  -5.295  -1.194
  548    HB3  ASN  75           HB1      ASN  75   0.650  -5.716  -0.599
  549   HD21  ASN  75          HD21      ASN  75   1.767  -4.744  -2.145
  550   HD22  ASN  75          HD22      ASN  75   1.756  -5.211  -3.815
  551    H    HIS  76           HN       HIS  76  -0.345  -9.668  -1.901
  552    HA   HIS  76           HA       HIS  76  -1.877  -9.061  -4.211
  553    HB2  HIS  76           HB2      HIS  76   0.094 -10.602  -4.205
  554    HB3  HIS  76           HB1      HIS  76  -0.878 -11.774  -3.322
  555    HD1  HIS  76           HD1      HIS  76  -0.453 -10.238  -6.707
  556    HD2  HIS  76           HD2      HIS  76  -2.790 -13.135  -4.860
  557    HE1  HIS  76           HE1      HIS  76  -1.587 -11.485  -8.572
  558    HE2  HIS  76           HE2      HIS  76  -3.179 -13.057  -7.414
  559    H    ASN  77           HN       ASN  77  -2.584 -10.138  -1.154
  560    HA   ASN  77           HA       ASN  77  -5.336 -10.777  -1.876
  561    HB2  ASN  77           HB2      ASN  77  -5.344 -12.742  -0.342
  562    HB3  ASN  77           HB1      ASN  77  -4.315 -12.970  -1.750
  563   HD21  ASN  77          HD21      ASN  77  -2.139 -13.233  -1.485
  564   HD22  ASN  77          HD22      ASN  77  -1.380 -13.388   0.066
  565    H    VAL  78           HN       VAL  78  -3.783  -8.584  -0.501
  566    HA   VAL  78           HA       VAL  78  -4.440  -8.695   2.279
  567    HB   VAL  78           HB       VAL  78  -2.591  -7.256   1.364
  568   HG11  VAL  78          HG11      VAL  78  -3.722  -6.421  -0.618
  569   HG12  VAL  78          HG12      VAL  78  -3.164  -5.086   0.391
  570   HG13  VAL  78          HG13      VAL  78  -4.869  -5.540   0.390
  571   HG21  VAL  78          HG21      VAL  78  -3.466  -6.873   3.604
  572   HG22  VAL  78          HG22      VAL  78  -4.702  -5.797   2.947
  573   HG23  VAL  78          HG23      VAL  78  -2.998  -5.355   2.836
  574    H    SER  79           HN       SER  79  -6.078  -7.559   3.373
  575    HA   SER  79           HA       SER  79  -8.472  -7.038   1.854
  576    HB2  SER  79           HB2      SER  79  -8.057  -6.490   4.787
  577    HB3  SER  79           HB1      SER  79  -9.557  -6.848   3.932
  578    HG   SER  79           HG       SER  79  -8.599  -8.957   3.482
  579    H    LEU  80           HN       LEU  80  -7.908  -5.240   0.591
  580    HA   LEU  80           HA       LEU  80  -6.871  -2.890   1.933
  581    HB2  LEU  80           HB2      LEU  80  -6.633  -3.957  -0.618
  582    HB3  LEU  80           HB1      LEU  80  -7.612  -2.520  -0.835
  583    HG   LEU  80           HG       LEU  80  -4.759  -2.767  -0.061
  584   HD11  LEU  80          HD11      LEU  80  -5.404  -2.075  -2.290
  585   HD12  LEU  80          HD12      LEU  80  -4.583  -0.771  -1.432
  586   HD13  LEU  80          HD13      LEU  80  -6.333  -0.736  -1.612
  587   HD21  LEU  80          HD21      LEU  80  -5.505  -1.695   1.914
  588   HD22  LEU  80          HD22      LEU  80  -6.585  -0.635   1.008
  589   HD23  LEU  80          HD23      LEU  80  -4.837  -0.440   0.872
  590    H    VAL  81           HN       VAL  81  -9.082  -3.111   3.110
  591    HA   VAL  81           HA       VAL  81 -11.047  -1.477   1.704
  592    HB   VAL  81           HB       VAL  81 -11.872  -3.702   2.304
  593   HG11  VAL  81          HG11      VAL  81 -12.173  -4.322   4.664
  594   HG12  VAL  81          HG12      VAL  81 -11.264  -2.888   5.142
  595   HG13  VAL  81          HG13      VAL  81 -10.475  -4.166   4.217
  596   HG21  VAL  81          HG21      VAL  81 -13.883  -3.021   3.554
  597   HG22  VAL  81          HG22      VAL  81 -13.481  -1.909   2.245
  598   HG23  VAL  81          HG23      VAL  81 -13.111  -1.477   3.916
  599    H    LEU  82           HN       LEU  82  -8.988  -1.652   4.417
  600    HA   LEU  82           HA       LEU  82  -8.500  -0.296   6.194
  601    HB2  LEU  82           HB2      LEU  82  -8.259   1.432   4.490
  602    HB3  LEU  82           HB1      LEU  82  -9.983   1.734   4.520
  603    HG   LEU  82           HG       LEU  82  -9.755   2.526   6.876
  604   HD11  LEU  82          HD11      LEU  82  -6.803   2.284   6.316
  605   HD12  LEU  82          HD12      LEU  82  -7.725   1.357   7.500
  606   HD13  LEU  82          HD13      LEU  82  -7.522   3.096   7.708
  607   HD21  LEU  82          HD21      LEU  82  -9.832   4.104   5.036
  608   HD22  LEU  82          HD22      LEU  82  -8.087   3.962   4.818
  609   HD23  LEU  82          HD23      LEU  82  -8.735   4.674   6.295
  610    H    GLU  83           HN       GLU  83 -11.337  -1.558   5.799
  611    HA   GLU  83           HA       GLU  83 -12.726  -0.003   7.828
  612    HB2  GLU  83           HB2      GLU  83 -12.976   0.761   5.312
  613    HB3  GLU  83           HB1      GLU  83 -14.119  -0.587   5.255
  614    HG2  GLU  83           HG2      GLU  83 -15.548   0.376   6.838
  615    HG3  GLU  83           HG1      GLU  83 -14.324   1.522   7.379
  616    H    ALA  84           HN       ALA  84 -13.616  -1.378   9.218
  617    HA   ALA  84           HA       ALA  84 -13.956  -3.394  10.233
  618    HB1  ALA  84           HB1      ALA  84 -16.115  -3.087   9.130
  619    HB2  ALA  84           HB2      ALA  84 -15.678  -4.795   9.202
  620    HB3  ALA  84           HB3      ALA  84 -15.503  -3.901   7.691
  621    H    THR  85           HN       THR  85 -11.512  -3.409   9.434
  622    HA   THR  85           HA       THR  85 -10.817  -5.117   7.300
  623    HB   THR  85           HB       THR  85  -9.027  -4.287   9.586
  624    HG1  THR  85           HG1      THR  85  -9.808  -2.394   8.775
  625   HG21  THR  85          HG21      THR  85  -8.071  -5.998   8.125
  626   HG22  THR  85          HG22      THR  85  -7.259  -4.452   7.874
  627   HG23  THR  85          HG23      THR  85  -8.455  -5.020   6.708
  628    H    GLN  86           HN       GLN  86 -11.968  -6.997   7.715
  629    HA   GLN  86           HA       GLN  86 -10.886  -8.835   9.706
  630    HB2  GLN  86           HB2      GLN  86 -12.992  -9.144   7.545
  631    HB3  GLN  86           HB1      GLN  86 -12.516 -10.439   8.635
  632    HG2  GLN  86           HG2      GLN  86 -13.159  -8.889  10.529
  633    HG3  GLN  86           HG1      GLN  86 -13.904  -7.865   9.303
  634   HE21  GLN  86          HE21      GLN  86 -14.042 -10.896  10.981
  635   HE22  GLN  86          HE22      GLN  86 -15.654 -11.316  10.516
  636    HA   PRO  87           HA       PRO  87  -8.399 -10.590   6.315
  637    HB2  PRO  87           HB2      PRO  87  -8.460 -13.258   6.587
  638    HB3  PRO  87           HB1      PRO  87  -7.804 -12.198   7.838
  639    HG2  PRO  87           HG2      PRO  87 -10.287 -13.766   7.836
  640    HG3  PRO  87           HG1      PRO  87  -9.398 -13.076   9.202
  641    HD2  PRO  87           HD2      PRO  87 -11.723 -12.018   7.810
  642    HD3  PRO  87           HD1      PRO  87 -10.959 -11.438   9.304
  643    HA   PRO  88           HA       PRO  88 -11.340 -12.164   3.004
  644    HB2  PRO  88           HB2      PRO  88 -12.232  -9.829   1.878
  645    HB3  PRO  88           HB1      PRO  88 -13.166 -10.782   3.035
  646    HG2  PRO  88           HG2      PRO  88 -11.810  -8.215   3.390
  647    HG3  PRO  88           HG1      PRO  88 -13.094  -8.947   4.358
  648    HD2  PRO  88           HD2      PRO  88 -10.321  -8.799   4.942
  649    HD3  PRO  88           HD1      PRO  88 -11.595  -9.591   5.883
  650    H    SER  89           HN       SER  89 -10.267 -12.487   1.101
  651    HA   SER  89           HA       SER  89  -7.776 -11.065   0.782
  652    HB2  SER  89           HB2      SER  89  -8.918 -13.342  -0.852
  653    HB3  SER  89           HB1      SER  89  -7.252 -12.758  -0.885
  654    HG   SER  89           HG       SER  89  -8.077 -13.335   1.639
  655    H    GLU  90           HN       GLU  90  -7.878  -9.178  -0.143
  656    HA   GLU  90           HA       GLU  90  -8.091  -7.571  -1.680
  657    HB2  GLU  90           HB2      GLU  90  -9.118  -9.814  -3.389
  658    HB3  GLU  90           HB1      GLU  90  -8.833  -8.184  -3.991
  659    HG2  GLU  90           HG2      GLU  90  -6.474  -8.390  -3.380
  660    HG3  GLU  90           HG1      GLU  90  -6.771 -10.029  -2.800
  661    H    GLN  91           HN       GLN  91  -9.790  -6.408  -3.040
  662    HA   GLN  91           HA       GLN  91 -11.637  -5.412  -1.359
  663    HB2  GLN  91           HB2      GLN  91 -12.794  -4.450  -3.314
  664    HB3  GLN  91           HB1      GLN  91 -11.047  -4.276  -3.384
  665    HG2  GLN  91           HG2      GLN  91 -10.857  -5.988  -5.016
  666    HG3  GLN  91           HG1      GLN  91 -12.542  -6.461  -4.807
  667   HE21  GLN  91          HE21      GLN  91 -11.488  -3.143  -4.898
  668   HE22  GLN  91          HE22      GLN  91 -12.217  -2.745  -6.418
  669    HA   PRO  92           HA       PRO  92 -15.232  -8.084  -1.568
  670    HB2  PRO  92           HB2      PRO  92 -15.701  -8.165   1.044
  671    HB3  PRO  92           HB1      PRO  92 -14.345  -9.081   0.372
  672    HG2  PRO  92           HG2      PRO  92 -14.328  -6.588   1.977
  673    HG3  PRO  92           HG1      PRO  92 -13.084  -7.840   1.831
  674    HD2  PRO  92           HD2      PRO  92 -13.269  -5.326   0.421
  675    HD3  PRO  92           HD1      PRO  92 -11.989  -6.555   0.317
  676    H    GLY  93           HN       GLY  93 -15.037  -5.178  -2.072
  677    HA2  GLY  93           HA2      GLY  93 -16.085  -3.152  -1.752
  678    HA3  GLY  93           HA1      GLY  93 -17.446  -4.071  -1.105
  679    H    THR  94           HN       THR  94 -17.732  -2.416   0.549
  680    HA   THR  94           HA       THR  94 -15.782  -2.847   2.716
  681    HB   THR  94           HB       THR  94 -15.932  -0.471   2.112
  682    HG1  THR  94           HG1      THR  94 -16.379   0.269   4.248
  683   HG21  THR  94          HG21      THR  94 -18.216  -0.403   1.256
  684   HG22  THR  94          HG22      THR  94 -17.999   0.786   2.541
  685   HG23  THR  94          HG23      THR  94 -18.844  -0.726   2.872
  686    H    ASP  95           HN       ASP  95 -16.628  -3.105   4.857
  687    HA   ASP  95           HA       ASP  95 -19.308  -4.302   4.872
  688    HB2  ASP  95           HB2      ASP  95 -17.344  -5.623   5.737
  689    HB3  ASP  95           HB1      ASP  95 -17.195  -4.443   7.034
  690    H    GLY  96           HN       GLY  96 -17.486  -1.603   5.906
  691    HA2  GLY  96           HA2      GLY  96 -18.511   0.395   6.695
  692    HA3  GLY  96           HA1      GLY  96 -19.810  -0.578   7.377
  693    H    GLN  97           HN       GLN  97 -17.571   1.404   8.357
  694    HA   GLN  97           HA       GLN  97 -16.823  -0.236  10.690
  695    HB2  GLN  97           HB2      GLN  97 -14.864   0.356   9.292
  696    HB3  GLN  97           HB1      GLN  97 -15.253   2.058   9.492
  697    HG2  GLN  97           HG2      GLN  97 -13.462   1.414  10.980
  698    HG3  GLN  97           HG1      GLN  97 -14.898   1.858  11.901
  699   HE21  GLN  97          HE21      GLN  97 -16.054   0.252  12.988
  700   HE22  GLN  97          HE22      GLN  97 -15.390  -1.315  13.288
  Start of MODEL    6
    1    H    ASP   1           HN       ASP   1  23.262   9.540   4.501
    2    HA   ASP   1           HA       ASP   1  20.607   9.047   3.337
    3    HB2  ASP   1           HB2      ASP   1  22.099   7.552   2.210
    4    HB3  ASP   1           HB1      ASP   1  22.847   7.065   3.731
    5    HA   PRO   2           HA       PRO   2  19.833   8.336   7.717
    6    HB2  PRO   2           HB2      PRO   2  17.722   9.983   7.923
    7    HB3  PRO   2           HB1      PRO   2  19.381  10.587   7.958
    8    HG2  PRO   2           HG2      PRO   2  17.345  10.845   5.852
    9    HG3  PRO   2           HG1      PRO   2  18.804  11.807   6.125
   10    HD2  PRO   2           HD2      PRO   2  18.402   9.609   4.278
   11    HD3  PRO   2           HD1      PRO   2  19.817  10.668   4.453
   12    H    VAL   3           HN       VAL   3  18.769   7.033   5.093
   13    HA   VAL   3           HA       VAL   3  16.187   6.177   6.163
   14    HB   VAL   3           HB       VAL   3  16.930   6.038   3.257
   15   HG11  VAL   3          HG11      VAL   3  14.525   5.888   2.908
   16   HG12  VAL   3          HG12      VAL   3  14.257   6.016   4.646
   17   HG13  VAL   3          HG13      VAL   3  15.089   4.609   3.983
   18   HG21  VAL   3          HG21      VAL   3  15.625   8.091   2.910
   19   HG22  VAL   3          HG22      VAL   3  17.050   8.375   3.910
   20   HG23  VAL   3          HG23      VAL   3  15.457   8.268   4.658
   21    H    LYS   4           HN       LYS   4  19.202   5.286   5.364
   22    HA   LYS   4           HA       LYS   4  20.417   3.385   5.226
   23    HB2  LYS   4           HB2      LYS   4  17.947   2.160   6.452
   24    HB3  LYS   4           HB1      LYS   4  19.433   1.266   6.162
   25    HG2  LYS   4           HG2      LYS   4  19.095   3.654   7.969
   26    HG3  LYS   4           HG1      LYS   4  19.331   1.977   8.462
   27    HD2  LYS   4           HD2      LYS   4  21.313   3.611   6.877
   28    HD3  LYS   4           HD1      LYS   4  21.403   3.316   8.614
   29    HE2  LYS   4           HE2      LYS   4  21.659   0.949   8.244
   30    HE3  LYS   4           HE1      LYS   4  21.402   1.153   6.511
   31    HZ1  LYS   4           HZ1      LYS   4  23.446   2.340   6.320
   32    HZ2  LYS   4           HZ2      LYS   4  23.765   0.907   7.166
   33    HZ3  LYS   4           HZ3      LYS   4  23.659   2.381   8.002
   34    HA   PRO   5           HA       PRO   5  19.411   1.982   1.147
   35    HB2  PRO   5           HB2      PRO   5  21.669   0.129   1.543
   36    HB3  PRO   5           HB1      PRO   5  21.465   1.408   0.341
   37    HG2  PRO   5           HG2      PRO   5  23.198   1.659   2.373
   38    HG3  PRO   5           HG1      PRO   5  22.286   3.046   1.746
   39    HD2  PRO   5           HD2      PRO   5  21.796   1.407   4.204
   40    HD3  PRO   5           HD1      PRO   5  21.683   3.166   3.980
   41    H    SER   6           HN       SER   6  17.806   0.629   0.773
   42    HA   SER   6           HA       SER   6  16.356  -1.101   0.926
   43    HB2  SER   6           HB2      SER   6  18.873  -2.693   1.464
   44    HB3  SER   6           HB1      SER   6  17.312  -3.369   0.996
   45    HG   SER   6           HG       SER   6  18.365  -1.361  -0.631
   46    H    ARG   7           HN       ARG   7  16.100   0.316   3.008
   47    HA   ARG   7           HA       ARG   7  16.409  -0.756   5.548
   48    HB2  ARG   7           HB2      ARG   7  15.647   1.546   4.901
   49    HB3  ARG   7           HB1      ARG   7  14.067   0.867   4.556
   50    HG2  ARG   7           HG2      ARG   7  13.845   0.189   6.893
   51    HG3  ARG   7           HG1      ARG   7  15.435   0.880   7.237
   52    HD2  ARG   7           HD2      ARG   7  14.565   3.065   6.393
   53    HD3  ARG   7           HD1      ARG   7  12.965   2.332   6.310
   54    HE   ARG   7           HE       ARG   7  12.971   2.144   8.695
   55   HH11  ARG   7          HH11      ARG   7  15.683   3.906   7.358
   56   HH12  ARG   7          HH12      ARG   7  16.004   4.796   8.816
   57   HH21  ARG   7          HH21      ARG   7  13.357   3.334  10.622
   58   HH22  ARG   7          HH22      ARG   7  14.652   4.495  10.669
   59    H    GLY   8           HN       GLY   8  15.908  -3.058   4.373
   60    HA2  GLY   8           HA2      GLY   8  14.203  -4.443   5.907
   61    HA3  GLY   8           HA1      GLY   8  13.140  -3.839   4.639
   62    HA   PRO   9           HA       PRO   9  15.448  -7.665   3.055
   63    HB2  PRO   9           HB2      PRO   9  13.308  -9.361   3.038
   64    HB3  PRO   9           HB1      PRO   9  14.468  -9.285   4.369
   65    HG2  PRO   9           HG2      PRO   9  11.745  -8.065   4.153
   66    HG3  PRO   9           HG1      PRO   9  12.521  -8.839   5.547
   67    HD2  PRO   9           HD2      PRO   9  12.343  -6.144   5.259
   68    HD3  PRO   9           HD1      PRO   9  13.682  -6.938   6.112
   69    H    LEU  10           HN       LEU  10  15.522  -7.404   0.879
   70    HA   LEU  10           HA       LEU  10  13.849  -5.913  -0.650
   71    HB2  LEU  10           HB2      LEU  10  15.500  -8.288  -1.460
   72    HB3  LEU  10           HB1      LEU  10  14.638  -7.305  -2.626
   73    HG   LEU  10           HG       LEU  10  16.884  -6.431  -0.814
   74   HD11  LEU  10          HD11      LEU  10  18.021  -5.945  -2.924
   75   HD12  LEU  10          HD12      LEU  10  16.631  -6.567  -3.817
   76   HD13  LEU  10          HD13      LEU  10  17.586  -7.649  -2.801
   77   HD21  LEU  10          HD21      LEU  10  15.229  -4.756  -2.699
   78   HD22  LEU  10          HD22      LEU  10  16.650  -4.219  -1.802
   79   HD23  LEU  10          HD23      LEU  10  15.180  -4.676  -0.937
   80    H    VAL  11           HN       VAL  11  11.779  -6.017  -0.743
   81    HA   VAL  11           HA       VAL  11  10.449  -8.619  -1.074
   82    HB   VAL  11           HB       VAL  11   9.667  -6.197   0.531
   83   HG11  VAL  11          HG11      VAL  11   7.412  -7.113   0.797
   84   HG12  VAL  11          HG12      VAL  11   7.781  -8.363  -0.391
   85   HG13  VAL  11          HG13      VAL  11   7.736  -6.668  -0.880
   86   HG21  VAL  11          HG21      VAL  11  10.857  -7.975   1.684
   87   HG22  VAL  11          HG22      VAL  11   9.659  -9.148   1.136
   88   HG23  VAL  11          HG23      VAL  11   9.190  -7.866   2.255
   89    H    THR  12           HN       THR  12   9.892  -8.766  -3.163
   90    HA   THR  12           HA       THR  12   8.786  -6.510  -4.588
   91    HB   THR  12           HB       THR  12   8.928  -9.446  -5.257
   92    HG1  THR  12           HG1      THR  12  10.899  -8.680  -5.585
   93   HG21  THR  12          HG21      THR  12   8.110  -8.891  -7.478
   94   HG22  THR  12          HG22      THR  12   7.948  -7.196  -7.006
   95   HG23  THR  12          HG23      THR  12   6.924  -8.421  -6.250
   96    H    CYS  13           HN       CYS  13   6.610  -6.224  -5.079
   97    HA   CYS  13           HA       CYS  13   4.713  -8.152  -3.987
   98    HB2  CYS  13           HB2      CYS  13   5.285  -5.853  -2.586
   99    HB3  CYS  13           HB1      CYS  13   3.911  -5.354  -3.568
  100    H    THR  14           HN       THR  14   2.615  -7.994  -4.975
  101    HA   THR  14           HA       THR  14   2.350  -7.222  -7.610
  102    HB   THR  14           HB       THR  14   0.263  -7.219  -5.412
  103    HG1  THR  14           HG1      THR  14   1.023  -9.161  -7.362
  104   HG21  THR  14          HG21      THR  14  -0.142  -7.222  -8.411
  105   HG22  THR  14          HG22      THR  14  -0.530  -5.890  -7.321
  106   HG23  THR  14          HG23      THR  14  -1.410  -7.414  -7.201
  107    H    CYS  15           HN       CYS  15   1.345  -5.267  -8.529
  108    HA   CYS  15           HA       CYS  15   1.510  -2.949  -6.811
  109    HB2  CYS  15           HB2      CYS  15   3.805  -3.528  -8.172
  110    HB3  CYS  15           HB1      CYS  15   2.974  -2.499  -9.321
  111    H    GLU  16           HN       GLU  16   0.119  -1.391  -7.444
  112    HA   GLU  16           HA       GLU  16  -1.045  -1.572 -10.114
  113    HB2  GLU  16           HB2      GLU  16  -2.340  -3.107  -8.615
  114    HB3  GLU  16           HB1      GLU  16  -2.747  -1.714  -7.621
  115    HG2  GLU  16           HG2      GLU  16  -4.034  -0.735  -9.345
  116    HG3  GLU  16           HG1      GLU  16  -3.436  -1.890 -10.536
  117    H    SER  17           HN       SER  17  -0.065   0.399 -10.449
  118    HA   SER  17           HA       SER  17   0.080   2.653 -10.618
  119    HB2  SER  17           HB2      SER  17  -2.564   2.716  -9.220
  120    HB3  SER  17           HB1      SER  17  -1.927   3.912 -10.345
  121    HG   SER  17           HG       SER  17  -2.114   2.401 -12.014
  122    HA   PRO  18           HA       PRO  18   0.434   3.727  -5.994
  123    HB2  PRO  18           HB2      PRO  18   1.981   1.647  -4.887
  124    HB3  PRO  18           HB1      PRO  18   0.223   1.805  -4.748
  125    HG2  PRO  18           HG2      PRO  18   1.593  -0.226  -6.063
  126    HG3  PRO  18           HG1      PRO  18  -0.111   0.195  -6.324
  127    HD2  PRO  18           HD2      PRO  18   2.310   1.089  -7.867
  128    HD3  PRO  18           HD1      PRO  18   0.749   0.485  -8.477
  129    H    HIS  19           HN       HIS  19   3.140   1.603  -6.262
  130    HA   HIS  19           HA       HIS  19   5.060   3.795  -6.156
  131    HB2  HIS  19           HB2      HIS  19   5.860   0.930  -5.958
  132    HB3  HIS  19           HB1      HIS  19   6.484   2.330  -5.084
  133    HD1  HIS  19           HD1      HIS  19   3.952  -0.359  -4.915
  134    HD2  HIS  19           HD2      HIS  19   4.930   3.074  -2.801
  135    HE1  HIS  19           HE1      HIS  19   2.595  -0.466  -2.811
  136    HE2  HIS  19           HE2      HIS  19   3.417   1.480  -1.429
  137    H    CYS  20           HN       CYS  20   3.419   1.910  -8.290
  138    HA   CYS  20           HA       CYS  20   5.548   1.928 -10.296
  139    HB2  CYS  20           HB2      CYS  20   3.581  -0.336 -10.128
  140    HB3  CYS  20           HB1      CYS  20   5.195  -0.322 -10.835
  141    H    LYS  21           HN       LYS  21   4.117   1.111 -12.438
  142    HA   LYS  21           HA       LYS  21   1.589   2.563 -12.234
  143    HB2  LYS  21           HB2      LYS  21   3.458   3.912 -13.329
  144    HB3  LYS  21           HB1      LYS  21   3.355   2.769 -14.659
  145    HG2  LYS  21           HG2      LYS  21   2.097   4.789 -15.135
  146    HG3  LYS  21           HG1      LYS  21   1.034   3.386 -15.038
  147    HD2  LYS  21           HD2      LYS  21  -0.004   5.239 -13.894
  148    HD3  LYS  21           HD1      LYS  21   0.478   4.027 -12.705
  149    HE2  LYS  21           HE2      LYS  21   2.454   5.326 -12.151
  150    HE3  LYS  21           HE1      LYS  21   2.042   6.515 -13.384
  151    HZ1  LYS  21           HZ1      LYS  21  -0.083   6.863 -12.105
  152    HZ2  LYS  21           HZ2      LYS  21   1.334   7.396 -11.342
  153    HZ3  LYS  21           HZ3      LYS  21   0.607   5.951 -10.853
  154    H    GLY  22           HN       GLY  22   2.187  -0.281 -12.134
  155    HA2  GLY  22           HA2      GLY  22   0.089  -1.214 -13.747
  156    HA3  GLY  22           HA1      GLY  22   1.578  -1.404 -14.667
  157    HA   PRO  23           HA       PRO  23   2.314  -5.134 -13.167
  158    HB2  PRO  23           HB2      PRO  23   4.923  -5.355 -13.367
  159    HB3  PRO  23           HB1      PRO  23   3.972  -4.863 -14.751
  160    HG2  PRO  23           HG2      PRO  23   5.572  -3.175 -12.851
  161    HG3  PRO  23           HG1      PRO  23   5.517  -3.114 -14.626
  162    HD2  PRO  23           HD2      PRO  23   4.040  -1.455 -12.983
  163    HD3  PRO  23           HD1      PRO  23   3.585  -1.901 -14.644
  164    H    THR  24           HN       THR  24   5.367  -4.725 -11.764
  165    HA   THR  24           HA       THR  24   4.351  -4.984  -9.037
  166    HB   THR  24           HB       THR  24   6.018  -6.814  -8.632
  167    HG1  THR  24           HG1      THR  24   6.053  -7.309 -11.410
  168   HG21  THR  24          HG21      THR  24   3.869  -7.427 -10.665
  169   HG22  THR  24          HG22      THR  24   3.661  -7.366  -8.914
  170   HG23  THR  24          HG23      THR  24   4.676  -8.613  -9.640
  171    H    CYS  25           HN       CYS  25   6.432  -5.030  -7.507
  172    HA   CYS  25           HA       CYS  25   8.707  -3.641  -8.626
  173    HB2  CYS  25           HB2      CYS  25   8.558  -1.742  -7.133
  174    HB3  CYS  25           HB1      CYS  25   7.078  -1.836  -8.078
  175    H    ARG  26           HN       ARG  26  10.550  -4.000  -7.428
  176    HA   ARG  26           HA       ARG  26  10.381  -5.650  -5.055
  177    HB2  ARG  26           HB2      ARG  26  12.853  -4.366  -6.228
  178    HB3  ARG  26           HB1      ARG  26  12.783  -5.728  -5.121
  179    HG2  ARG  26           HG2      ARG  26  11.599  -6.987  -6.970
  180    HG3  ARG  26           HG1      ARG  26  12.069  -5.657  -8.032
  181    HD2  ARG  26           HD2      ARG  26  13.886  -7.475  -6.460
  182    HD3  ARG  26           HD1      ARG  26  13.715  -7.392  -8.215
  183    HE   ARG  26           HE       ARG  26  14.472  -4.875  -7.547
  184   HH11  ARG  26          HH11      ARG  26  15.794  -8.060  -6.917
  185   HH12  ARG  26          HH12      ARG  26  17.430  -7.483  -6.730
  186   HH21  ARG  26          HH21      ARG  26  16.602  -4.115  -7.302
  187   HH22  ARG  26          HH22      ARG  26  17.887  -5.229  -6.950
  188    H    GLY  27           HN       GLY  27  11.655  -4.890  -3.108
  189    HA2  GLY  27           HA2      GLY  27  11.879  -2.149  -2.561
  190    HA3  GLY  27           HA1      GLY  27  10.248  -2.649  -2.170
  191    H    ALA  28           HN       ALA  28  10.036  -2.876  -0.108
  192    HA   ALA  28           HA       ALA  28  12.254  -4.104   1.440
  193    HB1  ALA  28           HB1      ALA  28  12.156  -1.613   1.698
  194    HB2  ALA  28           HB2      ALA  28  11.953  -2.514   3.203
  195    HB3  ALA  28           HB3      ALA  28  10.540  -1.813   2.393
  196    H    TRP  29           HN       TRP  29   8.933  -3.456   1.007
  197    HA   TRP  29           HA       TRP  29   7.969  -5.768   2.225
  198    HB2  TRP  29           HB2      TRP  29   6.716  -4.543   4.098
  199    HB3  TRP  29           HB1      TRP  29   8.425  -4.853   4.363
  200    HD1  TRP  29           HD1      TRP  29   7.012  -1.866   2.359
  201    HE1  TRP  29           HE1      TRP  29   7.687   0.294   3.554
  202    HE3  TRP  29           HE3      TRP  29   9.294  -3.885   6.449
  203    HZ2  TRP  29           HZ2      TRP  29   9.060   1.062   5.886
  204    HZ3  TRP  29           HZ3      TRP  29  10.283  -2.362   8.110
  205    HH2  TRP  29           HH2      TRP  29  10.169   0.059   7.835
  206    H    CYS  30           HN       CYS  30   5.390  -5.198   2.661
  207    HA   CYS  30           HA       CYS  30   4.693  -4.103   0.021
  208    HB2  CYS  30           HB2      CYS  30   3.303  -6.151   1.748
  209    HB3  CYS  30           HB1      CYS  30   2.589  -5.461   0.296
  210    H    THR  31           HN       THR  31   3.900  -2.088   0.122
  211    HA   THR  31           HA       THR  31   1.975  -1.492   2.245
  212    HB   THR  31           HB       THR  31   2.393   0.898   1.702
  213    HG1  THR  31           HG1      THR  31   4.753   0.645   0.480
  214   HG21  THR  31          HG21      THR  31   3.605  -0.173   3.540
  215   HG22  THR  31          HG22      THR  31   4.605   1.040   2.740
  216   HG23  THR  31          HG23      THR  31   4.873  -0.674   2.420
  217    H    VAL  32           HN       VAL  32  -0.045  -1.179   1.739
  218    HA   VAL  32           HA       VAL  32  -0.766  -0.825  -1.093
  219    HB   VAL  32           HB       VAL  32  -3.068  -1.437  -0.387
  220   HG11  VAL  32          HG11      VAL  32  -1.591  -3.087  -1.366
  221   HG12  VAL  32          HG12      VAL  32  -2.645  -3.818  -0.158
  222   HG13  VAL  32          HG13      VAL  32  -0.955  -3.484   0.228
  223   HG21  VAL  32          HG21      VAL  32  -2.872  -0.801   1.959
  224   HG22  VAL  32          HG22      VAL  32  -1.740  -2.135   2.227
  225   HG23  VAL  32          HG23      VAL  32  -3.413  -2.473   1.786
  226    H    VAL  33           HN       VAL  33  -2.721   0.547  -1.419
  227    HA   VAL  33           HA       VAL  33  -3.433   2.385   0.598
  228    HB   VAL  33           HB       VAL  33  -2.666   4.159  -1.470
  229   HG11  VAL  33          HG11      VAL  33  -1.508   5.283   0.344
  230   HG12  VAL  33          HG12      VAL  33  -1.690   3.839   1.343
  231   HG13  VAL  33          HG13      VAL  33  -3.118   4.741   0.825
  232   HG21  VAL  33          HG21      VAL  33  -0.282   4.073  -1.493
  233   HG22  VAL  33          HG22      VAL  33  -0.865   2.476  -1.966
  234   HG23  VAL  33          HG23      VAL  33  -0.263   2.750  -0.325
  235    H    LEU  34           HN       LEU  34  -5.541   1.964   0.157
  236    HA   LEU  34           HA       LEU  34  -6.713   2.784  -2.329
  237    HB2  LEU  34           HB2      LEU  34  -7.955   1.279  -0.919
  238    HB3  LEU  34           HB1      LEU  34  -7.790   2.346   0.460
  239    HG   LEU  34           HG       LEU  34  -9.213   4.009  -0.876
  240   HD11  LEU  34          HD11      LEU  34 -10.694   3.010  -2.532
  241   HD12  LEU  34          HD12      LEU  34  -9.816   1.486  -2.405
  242   HD13  LEU  34          HD13      LEU  34  -9.009   2.917  -3.044
  243   HD21  LEU  34          HD21      LEU  34 -10.422   1.409   0.043
  244   HD22  LEU  34          HD22      LEU  34 -11.268   2.946  -0.127
  245   HD23  LEU  34          HD23      LEU  34  -9.992   2.769   1.079
  246    H    VAL  35           HN       VAL  35  -7.159   4.866  -2.903
  247    HA   VAL  35           HA       VAL  35  -5.972   6.905  -1.225
  248    HB   VAL  35           HB       VAL  35  -7.292   7.176  -3.935
  249   HG11  VAL  35          HG11      VAL  35  -6.043   9.289  -4.082
  250   HG12  VAL  35          HG12      VAL  35  -5.487   9.060  -2.424
  251   HG13  VAL  35          HG13      VAL  35  -7.205   9.291  -2.754
  252   HG21  VAL  35          HG21      VAL  35  -4.375   6.866  -3.227
  253   HG22  VAL  35          HG22      VAL  35  -5.009   7.195  -4.839
  254   HG23  VAL  35          HG23      VAL  35  -5.384   5.668  -4.038
  255    H    ARG  36           HN       ARG  36  -7.113   7.964   0.273
  256    HA   ARG  36           HA       ARG  36  -9.985   7.842   0.261
  257    HB2  ARG  36           HB2      ARG  36  -8.000   9.058   2.159
  258    HB3  ARG  36           HB1      ARG  36  -9.746   9.139   2.399
  259    HG2  ARG  36           HG2      ARG  36  -8.306   6.566   1.955
  260    HG3  ARG  36           HG1      ARG  36  -8.502   7.275   3.550
  261    HD2  ARG  36           HD2      ARG  36 -10.703   6.475   1.657
  262    HD3  ARG  36           HD1      ARG  36 -10.246   5.630   3.137
  263    HE   ARG  36           HE       ARG  36 -10.905   8.317   3.716
  264   HH11  ARG  36          HH11      ARG  36 -12.422   5.324   2.751
  265   HH12  ARG  36          HH12      ARG  36 -13.915   5.658   3.577
  266   HH21  ARG  36          HH21      ARG  36 -12.874   8.801   4.763
  267   HH22  ARG  36          HH22      ARG  36 -14.187   7.656   4.700
  268    H    GLU  37           HN       GLU  37  -9.288   9.017  -1.873
  269    HA   GLU  37           HA       GLU  37  -9.764  11.878  -1.619
  270    HB2  GLU  37           HB2      GLU  37  -8.321  10.991  -3.458
  271    HB3  GLU  37           HB1      GLU  37  -9.727  10.170  -4.121
  272    HG2  GLU  37           HG2      GLU  37  -9.174  12.291  -5.263
  273    HG3  GLU  37           HG1      GLU  37 -10.803  12.245  -4.595
  274    H    GLU  38           HN       GLU  38 -11.607  11.690  -0.417
  275    HA   GLU  38           HA       GLU  38 -13.617   9.842  -0.660
  276    HB2  GLU  38           HB2      GLU  38 -13.001  11.488   1.210
  277    HB3  GLU  38           HB1      GLU  38 -14.067  12.615   0.387
  278    HG2  GLU  38           HG2      GLU  38 -15.952  11.229   0.746
  279    HG3  GLU  38           HG1      GLU  38 -14.937   9.896   1.301
  280    H    GLY  39           HN       GLY  39 -14.817   9.473  -2.388
  281    HA2  GLY  39           HA2      GLY  39 -16.748   9.841  -3.644
  282    HA3  GLY  39           HA1      GLY  39 -16.667  11.545  -3.228
  283    H    ARG  40           HN       ARG  40 -13.662  11.038  -4.159
  284    HA   ARG  40           HA       ARG  40 -14.298  11.809  -6.925
  285    HB2  ARG  40           HB2      ARG  40 -11.833  12.392  -5.285
  286    HB3  ARG  40           HB1      ARG  40 -12.078  12.894  -6.952
  287    HG2  ARG  40           HG2      ARG  40 -13.929  14.293  -6.308
  288    HG3  ARG  40           HG1      ARG  40 -13.832  13.710  -4.645
  289    HD2  ARG  40           HD2      ARG  40 -11.564  14.657  -4.473
  290    HD3  ARG  40           HD1      ARG  40 -11.720  15.287  -6.112
  291    HE   ARG  40           HE       ARG  40 -13.672  16.595  -5.190
  292   HH11  ARG  40          HH11      ARG  40 -11.018  15.554  -3.144
  293   HH12  ARG  40          HH12      ARG  40 -11.191  16.877  -2.027
  294   HH21  ARG  40          HH21      ARG  40 -13.921  18.314  -3.735
  295   HH22  ARG  40          HH22      ARG  40 -12.860  18.459  -2.369
  296    H    HIS  41           HN       HIS  41 -11.453  10.306  -5.332
  297    HA   HIS  41           HA       HIS  41 -11.556   8.189  -7.347
  298    HB2  HIS  41           HB2      HIS  41  -9.274  10.095  -6.985
  299    HB3  HIS  41           HB1      HIS  41  -8.979   8.456  -7.547
  300    HD1  HIS  41           HD1      HIS  41  -9.690   7.867  -9.933
  301    HD2  HIS  41           HD2      HIS  41 -10.582  11.776  -8.823
  302    HE1  HIS  41           HE1      HIS  41 -10.291   9.056 -12.066
  303    HE2  HIS  41           HE2      HIS  41 -10.733  11.448 -11.389
  304    HA   PRO  42           HA       PRO  42 -10.167   6.285  -3.406
  305    HB2  PRO  42           HB2      PRO  42 -12.315   4.736  -2.949
  306    HB3  PRO  42           HB1      PRO  42 -12.232   6.405  -2.375
  307    HG2  PRO  42           HG2      PRO  42 -13.708   5.270  -4.701
  308    HG3  PRO  42           HG1      PRO  42 -14.173   6.584  -3.608
  309    HD2  PRO  42           HD2      PRO  42 -13.092   6.901  -6.161
  310    HD3  PRO  42           HD1      PRO  42 -13.148   8.147  -4.902
  311    H    GLN  43           HN       GLN  43  -8.665   5.253  -4.789
  312    HA   GLN  43           HA       GLN  43  -9.643   2.797  -6.091
  313    HB2  GLN  43           HB2      GLN  43  -7.287   4.497  -6.926
  314    HB3  GLN  43           HB1      GLN  43  -7.858   3.047  -7.739
  315    HG2  GLN  43           HG2      GLN  43  -9.939   4.149  -8.308
  316    HG3  GLN  43           HG1      GLN  43  -9.436   5.592  -7.428
  317   HE21  GLN  43          HE21      GLN  43  -7.316   3.644  -9.434
  318   HE22  GLN  43          HE22      GLN  43  -7.070   4.844 -10.652
  319    H    GLU  44           HN       GLU  44  -8.607   0.906  -5.662
  320    HA   GLU  44           HA       GLU  44  -6.810   0.876  -3.396
  321    HB2  GLU  44           HB2      GLU  44  -8.032  -1.310  -5.075
  322    HB3  GLU  44           HB1      GLU  44  -6.909  -1.629  -3.765
  323    HG2  GLU  44           HG2      GLU  44  -8.463  -0.615  -2.177
  324    HG3  GLU  44           HG1      GLU  44  -9.591  -0.284  -3.498
  325    H    HIS  45           HN       HIS  45  -4.753   1.393  -3.789
  326    HA   HIS  45           HA       HIS  45  -3.407   0.058  -6.048
  327    HB2  HIS  45           HB2      HIS  45  -2.601   2.547  -4.505
  328    HB3  HIS  45           HB1      HIS  45  -1.636   1.805  -5.764
  329    HD1  HIS  45           HD1      HIS  45  -2.487   4.700  -6.118
  330    HD2  HIS  45           HD2      HIS  45  -4.731   1.473  -7.484
  331    HE1  HIS  45           HE1      HIS  45  -3.943   5.609  -7.953
  332    HE2  HIS  45           HE2      HIS  45  -5.052   3.577  -8.946
  333    H    ARG  46           HN       ARG  46  -1.420  -1.091  -5.585
  334    HA   ARG  46           HA       ARG  46  -0.787  -1.500  -2.758
  335    HB2  ARG  46           HB2      ARG  46  -1.080  -3.880  -2.824
  336    HB3  ARG  46           HB1      ARG  46  -2.588  -3.134  -3.344
  337    HG2  ARG  46           HG2      ARG  46  -1.458  -3.483  -5.735
  338    HG3  ARG  46           HG1      ARG  46  -0.652  -4.783  -4.860
  339    HD2  ARG  46           HD2      ARG  46  -2.534  -5.842  -5.686
  340    HD3  ARG  46           HD1      ARG  46  -3.048  -5.387  -4.062
  341    HE   ARG  46           HE       ARG  46  -3.682  -3.635  -6.327
  342   HH11  ARG  46          HH11      ARG  46  -4.769  -5.754  -3.762
  343   HH12  ARG  46          HH12      ARG  46  -6.443  -5.311  -3.934
  344   HH21  ARG  46          HH21      ARG  46  -5.850  -3.053  -6.568
  345   HH22  ARG  46          HH22      ARG  46  -7.058  -3.773  -5.531
  346    H    GLY  47           HN       GLY  47   1.295  -2.486  -2.387
  347    HA2  GLY  47           HA2      GLY  47   2.880  -3.797  -4.259
  348    HA3  GLY  47           HA1      GLY  47   3.157  -2.092  -4.566
  349    H    CYS  48           HN       CYS  48   5.324  -2.251  -4.040
  350    HA   CYS  48           HA       CYS  48   6.048  -2.983  -1.309
  351    HB2  CYS  48           HB2      CYS  48   8.315  -3.021  -2.178
  352    HB3  CYS  48           HB1      CYS  48   7.281  -3.960  -3.244
  353    H    GLY  49           HN       GLY  49   6.622  -1.392   0.149
  354    HA2  GLY  49           HA2      GLY  49   6.253   1.354  -0.738
  355    HA3  GLY  49           HA1      GLY  49   6.486   0.819   0.926
  356    H    ASN  50           HN       ASN  50   8.783  -0.584  -1.017
  357    HA   ASN  50           HA       ASN  50  11.037  -0.365  -1.174
  358    HB2  ASN  50           HB2      ASN  50  10.336   2.579  -1.333
  359    HB3  ASN  50           HB1      ASN  50  11.913   1.901  -1.720
  360   HD21  ASN  50          HD21      ASN  50  10.861  -0.459  -3.026
  361   HD22  ASN  50          HD22      ASN  50  10.203   0.063  -4.531
  362    H    LEU  51           HN       LEU  51  12.711   1.721  -0.164
  363    HA   LEU  51           HA       LEU  51  12.889   0.815   2.542
  364    HB2  LEU  51           HB2      LEU  51  14.828   2.541   2.536
  365    HB3  LEU  51           HB1      LEU  51  14.963   1.066   1.601
  366    HG   LEU  51           HG       LEU  51  14.180   2.429  -0.406
  367   HD11  LEU  51          HD11      LEU  51  14.886   4.719   1.421
  368   HD12  LEU  51          HD12      LEU  51  13.283   4.345   0.790
  369   HD13  LEU  51          HD13      LEU  51  14.570   4.835  -0.311
  370   HD21  LEU  51          HD21      LEU  51  16.819   3.125   0.874
  371   HD22  LEU  51          HD22      LEU  51  16.417   3.280  -0.839
  372   HD23  LEU  51          HD23      LEU  51  16.478   1.684  -0.086
  373    H    HIS  52           HN       HIS  52  10.625   2.681   1.623
  374    HA   HIS  52           HA       HIS  52  11.084   4.958   3.402
  375    HB2  HIS  52           HB2      HIS  52   8.905   4.409   1.378
  376    HB3  HIS  52           HB1      HIS  52   8.941   5.823   2.424
  377    HD1  HIS  52           HD1      HIS  52  10.707   7.657   1.888
  378    HD2  HIS  52           HD2      HIS  52  10.638   4.474  -0.800
  379    HE1  HIS  52           HE1      HIS  52  12.017   8.427  -0.117
  380    HE2  HIS  52           HE2      HIS  52  11.761   6.579  -1.814
  381    H    ARG  53           HN       ARG  53  10.310   4.941   5.402
  382    HA   ARG  53           HA       ARG  53   8.187   3.039   6.096
  383    HB2  ARG  53           HB2      ARG  53  10.207   2.955   7.480
  384    HB3  ARG  53           HB1      ARG  53  10.029   4.661   7.865
  385    HG2  ARG  53           HG2      ARG  53   9.241   3.417   9.726
  386    HG3  ARG  53           HG1      ARG  53   7.839   4.113   8.925
  387    HD2  ARG  53           HD2      ARG  53   7.366   1.994   7.843
  388    HD3  ARG  53           HD1      ARG  53   8.816   1.284   8.554
  389    HE   ARG  53           HE       ARG  53   7.287   2.246  10.659
  390   HH11  ARG  53          HH11      ARG  53   6.985  -0.175   8.139
  391   HH12  ARG  53          HH12      ARG  53   5.925  -1.197   9.060
  392   HH21  ARG  53          HH21      ARG  53   5.896   0.905  11.881
  393   HH22  ARG  53          HH22      ARG  53   5.304  -0.581  11.197
  394    H    GLU  54           HN       GLU  54   8.795   6.349   5.525
  395    HA   GLU  54           HA       GLU  54   6.949   7.561   7.253
  396    HB2  GLU  54           HB2      GLU  54   7.002   9.468   5.652
  397    HB3  GLU  54           HB1      GLU  54   8.597   8.908   6.127
  398    HG2  GLU  54           HG2      GLU  54   7.428   7.789   3.645
  399    HG3  GLU  54           HG1      GLU  54   7.963   9.462   3.615
  400    H    LEU  55           HN       LEU  55   6.542   6.089   4.095
  401    HA   LEU  55           HA       LEU  55   3.810   6.947   3.873
  402    HB2  LEU  55           HB2      LEU  55   3.897   5.395   1.821
  403    HB3  LEU  55           HB1      LEU  55   4.796   6.893   1.808
  404    HG   LEU  55           HG       LEU  55   6.852   5.593   2.396
  405   HD11  LEU  55          HD11      LEU  55   5.797   3.626   3.362
  406   HD12  LEU  55          HD12      LEU  55   6.832   3.181   2.005
  407   HD13  LEU  55          HD13      LEU  55   5.082   3.227   1.799
  408   HD21  LEU  55          HD21      LEU  55   5.437   4.833  -0.154
  409   HD22  LEU  55          HD22      LEU  55   7.173   4.735   0.135
  410   HD23  LEU  55          HD23      LEU  55   6.369   6.305   0.116
  411    H    CYS  56           HN       CYS  56   4.702   5.128   6.104
  412    HA   CYS  56           HA       CYS  56   2.648   3.077   5.639
  413    HB2  CYS  56           HB2      CYS  56   4.998   3.249   7.464
  414    HB3  CYS  56           HB1      CYS  56   3.581   2.373   8.042
  415    H    ARG  57           HN       ARG  57   2.652   6.120   6.521
  416    HA   ARG  57           HA       ARG  57   0.422   6.108   8.244
  417    HB2  ARG  57           HB2      ARG  57   3.121   6.280   9.506
  418    HB3  ARG  57           HB1      ARG  57   1.874   7.339  10.136
  419    HG2  ARG  57           HG2      ARG  57   1.931   4.344  10.096
  420    HG3  ARG  57           HG1      ARG  57   1.821   5.429  11.484
  421    HD2  ARG  57           HD2      ARG  57  -0.407   6.119  10.795
  422    HD3  ARG  57           HD1      ARG  57  -0.302   5.098   9.362
  423    HE   ARG  57           HE       ARG  57  -0.551   4.174  12.142
  424   HH11  ARG  57          HH11      ARG  57  -0.636   3.520   8.698
  425   HH12  ARG  57          HH12      ARG  57  -1.363   1.958   8.886
  426   HH21  ARG  57          HH21      ARG  57  -1.508   2.111  12.388
  427   HH22  ARG  57          HH22      ARG  57  -1.867   1.156  10.971
  428    H    GLY  58           HN       GLY  58   0.563   8.568   9.435
  429    HA2  GLY  58           HA2      GLY  58   1.853  10.653   8.240
  430    HA3  GLY  58           HA1      GLY  58   0.471  10.345   7.196
  431    H    ARG  59           HN       ARG  59  -0.680  12.170   7.634
  432    HA   ARG  59           HA       ARG  59  -1.798  12.312  10.363
  433    HB2  ARG  59           HB2      ARG  59  -1.345  14.616   8.442
  434    HB3  ARG  59           HB1      ARG  59  -2.141  14.738  10.008
  435    HG2  ARG  59           HG2      ARG  59   0.007  13.868  11.020
  436    HG3  ARG  59           HG1      ARG  59   0.748  14.130   9.441
  437    HD2  ARG  59           HD2      ARG  59   1.169  16.037  10.856
  438    HD3  ARG  59           HD1      ARG  59   0.070  16.500   9.556
  439    HE   ARG  59           HE       ARG  59  -1.528  15.760  11.696
  440   HH11  ARG  59          HH11      ARG  59   0.971  18.155  11.149
  441   HH12  ARG  59          HH12      ARG  59   0.224  19.341  12.178
  442   HH21  ARG  59          HH21      ARG  59  -2.492  17.307  13.059
  443   HH22  ARG  59          HH22      ARG  59  -1.735  18.856  13.262
  444    HA   PRO  60           HA       PRO  60  -5.742  11.400   8.800
  445    HB2  PRO  60           HB2      PRO  60  -6.901  13.839  10.024
  446    HB3  PRO  60           HB1      PRO  60  -7.291  12.139  10.305
  447    HG2  PRO  60           HG2      PRO  60  -5.921  13.513  12.115
  448    HG3  PRO  60           HG1      PRO  60  -5.485  11.833  11.746
  449    HD2  PRO  60           HD2      PRO  60  -4.195  14.375  10.815
  450    HD3  PRO  60           HD1      PRO  60  -3.435  12.880  11.402
  451    H    THR  61           HN       THR  61  -4.531  12.483   6.739
  452    HA   THR  61           HA       THR  61  -6.709  13.598   5.211
  453    HB   THR  61           HB       THR  61  -4.059  15.055   5.409
  454    HG1  THR  61           HG1      THR  61  -6.418  15.374   6.704
  455   HG21  THR  61          HG21      THR  61  -5.000  16.621   3.795
  456   HG22  THR  61          HG22      THR  61  -6.460  15.637   3.679
  457   HG23  THR  61          HG23      THR  61  -4.915  14.991   3.125
  458    H    GLU  62           HN       GLU  62  -3.251  12.918   5.284
  459    HA   GLU  62           HA       GLU  62  -3.488  11.322   2.846
  460    HB2  GLU  62           HB2      GLU  62  -1.155  12.976   3.823
  461    HB3  GLU  62           HB1      GLU  62  -1.105  11.885   2.446
  462    HG2  GLU  62           HG2      GLU  62  -2.697  13.235   1.254
  463    HG3  GLU  62           HG1      GLU  62  -2.927  14.270   2.661
  464    H    PHE  63           HN       PHE  63  -3.857  10.815   5.676
  465    HA   PHE  63           HA       PHE  63  -1.697   9.199   6.620
  466    HB2  PHE  63           HB2      PHE  63  -3.155   8.515   8.363
  467    HB3  PHE  63           HB1      PHE  63  -3.624  10.174   8.043
  468    HD1  PHE  63           HD2      PHE  63  -5.554  10.079   5.882
  469    HD2  PHE  63           HD1      PHE  63  -4.905   7.255   9.016
  470    HE1  PHE  63           HE2      PHE  63  -7.880   9.334   5.694
  471    HE2  PHE  63           HE1      PHE  63  -7.238   6.505   8.811
  472    HZ   PHE  63           HZ       PHE  63  -8.728   7.545   7.154
  473    H    VAL  64           HN       VAL  64  -4.395   9.095   4.626
  474    HA   VAL  64           HA       VAL  64  -5.591   7.492   3.533
  475    HB   VAL  64           HB       VAL  64  -4.077   8.649   2.109
  476   HG11  VAL  64          HG11      VAL  64  -1.897   7.669   1.439
  477   HG12  VAL  64          HG12      VAL  64  -2.062   6.549   2.793
  478   HG13  VAL  64          HG13      VAL  64  -1.993   8.294   3.090
  479   HG21  VAL  64          HG21      VAL  64  -5.444   6.882   1.072
  480   HG22  VAL  64          HG22      VAL  64  -4.068   5.780   1.207
  481   HG23  VAL  64          HG23      VAL  64  -3.951   7.221   0.203
  482    H    ASN  65           HN       ASN  65  -5.530   5.211   2.484
  483    HA   ASN  65           HA       ASN  65  -5.366   3.269   4.482
  484    HB2  ASN  65           HB2      ASN  65  -5.704   3.220   1.524
  485    HB3  ASN  65           HB1      ASN  65  -5.664   1.722   2.440
  486   HD21  ASN  65          HD21      ASN  65  -7.658   1.091   2.094
  487   HD22  ASN  65          HD22      ASN  65  -9.076   1.938   2.617
  488    H    HIS  66           HN       HIS  66  -2.702   4.396   4.301
  489    HA   HIS  66           HA       HIS  66  -1.068   2.606   2.763
  490    HB2  HIS  66           HB2      HIS  66  -0.515   4.696   4.826
  491    HB3  HIS  66           HB1      HIS  66   0.709   3.477   4.518
  492    HD1  HIS  66           HD1      HIS  66   0.608   3.295   1.479
  493    HD2  HIS  66           HD2      HIS  66   0.569   6.864   3.608
  494    HE1  HIS  66           HE1      HIS  66   1.545   5.030  -0.087
  495    HE2  HIS  66           HE2      HIS  66   1.532   7.182   1.231
  496    H    TYR  67           HN       TYR  67  -1.783   0.544   3.334
  497    HA   TYR  67           HA       TYR  67  -1.128  -0.310   6.078
  498    HB2  TYR  67           HB2      TYR  67  -3.207  -1.167   5.041
  499    HB3  TYR  67           HB1      TYR  67  -2.257  -1.898   3.754
  500    HD1  TYR  67           HD1      TYR  67  -2.978  -2.042   7.385
  501    HD2  TYR  67           HD2      TYR  67  -1.272  -4.034   4.033
  502    HE1  TYR  67           HE1      TYR  67  -2.803  -4.109   8.706
  503    HE2  TYR  67           HE2      TYR  67  -1.091  -6.103   5.346
  504    HH   TYR  67           HH       TYR  67  -0.940  -6.751   7.740
  505    H    CYS  68           HN       CYS  68   0.363  -2.206   6.352
  506    HA   CYS  68           HA       CYS  68   2.354  -2.415   4.247
  507    HB2  CYS  68           HB2      CYS  68   3.358  -1.725   6.996
  508    HB3  CYS  68           HB1      CYS  68   4.205  -1.664   5.465
  509    H    CYS  69           HN       CYS  69   3.567  -4.269   4.355
  510    HA   CYS  69           HA       CYS  69   2.790  -6.226   6.415
  511    HB2  CYS  69           HB2      CYS  69   1.613  -6.580   4.213
  512    HB3  CYS  69           HB1      CYS  69   3.191  -6.804   3.471
  513    H    ASP  70           HN       ASP  70   4.384  -8.257   6.026
  514    HA   ASP  70           HA       ASP  70   7.099  -7.230   5.589
  515    HB2  ASP  70           HB2      ASP  70   6.180  -8.738   8.039
  516    HB3  ASP  70           HB1      ASP  70   7.868  -8.518   7.613
  517    H    SER  71           HN       SER  71   6.510  -8.444   3.590
  518    HA   SER  71           HA       SER  71   7.765 -10.892   3.348
  519    HB2  SER  71           HB2      SER  71   5.753 -12.384   2.940
  520    HB3  SER  71           HB1      SER  71   6.016 -11.956   4.630
  521    HG   SER  71           HG       SER  71   3.941 -11.494   4.415
  522    H    HIS  72           HN       HIS  72   7.798 -11.568   1.140
  523    HA   HIS  72           HA       HIS  72   7.029  -9.427  -0.627
  524    HB2  HIS  72           HB2      HIS  72   8.206 -10.696  -2.386
  525    HB3  HIS  72           HB1      HIS  72   9.212 -10.414  -0.976
  526    HD1  HIS  72           HD1      HIS  72  10.289 -12.412   0.064
  527    HD2  HIS  72           HD2      HIS  72   7.271 -13.431  -2.614
  528    HE1  HIS  72           HE1      HIS  72  10.442 -14.908  -0.223
  529    HE2  HIS  72           HE2      HIS  72   8.739 -15.473  -1.997
  530    H    LEU  73           HN       LEU  73   5.612  -9.475  -2.269
  531    HA   LEU  73           HA       LEU  73   3.674  -9.938  -3.342
  532    HB2  LEU  73           HB2      LEU  73   4.328 -12.820  -2.736
  533    HB3  LEU  73           HB1      LEU  73   3.184 -12.250  -3.935
  534    HG   LEU  73           HG       LEU  73   6.180 -11.950  -3.989
  535   HD11  LEU  73          HD11      LEU  73   5.347 -14.136  -4.639
  536   HD12  LEU  73          HD12      LEU  73   6.014 -13.271  -6.024
  537   HD13  LEU  73          HD13      LEU  73   4.266 -13.386  -5.814
  538   HD21  LEU  73          HD21      LEU  73   5.848 -10.830  -6.165
  539   HD22  LEU  73          HD22      LEU  73   5.224  -9.896  -4.807
  540   HD23  LEU  73          HD23      LEU  73   4.112 -10.782  -5.851
  541    H    CYS  74           HN       CYS  74   3.620  -9.306  -0.624
  542    HA   CYS  74           HA       CYS  74   1.778 -11.123   0.699
  543    HB2  CYS  74           HB2      CYS  74   3.490 -10.091   2.088
  544    HB3  CYS  74           HB1      CYS  74   2.939  -8.483   1.625
  545    H    ASN  75           HN       ASN  75   1.765  -7.756  -0.463
  546    HA   ASN  75           HA       ASN  75  -1.045  -7.525   0.120
  547    HB2  ASN  75           HB2      ASN  75   0.997  -5.705  -1.104
  548    HB3  ASN  75           HB1      ASN  75  -0.713  -5.288  -1.138
  549   HD21  ASN  75          HD21      ASN  75  -1.012  -6.780   1.497
  550   HD22  ASN  75          HD22      ASN  75  -0.443  -5.649   2.671
  551    H    HIS  76           HN       HIS  76   0.452  -9.230  -2.137
  552    HA   HIS  76           HA       HIS  76  -1.078  -8.857  -4.428
  553    HB2  HIS  76           HB2      HIS  76   0.720 -10.500  -4.375
  554    HB3  HIS  76           HB1      HIS  76  -0.148 -11.453  -3.176
  555    HD1  HIS  76           HD1      HIS  76  -1.093 -13.470  -4.211
  556    HD2  HIS  76           HD2      HIS  76  -1.193 -10.227  -6.811
  557    HE1  HIS  76           HE1      HIS  76  -2.203 -14.311  -6.306
  558    HE2  HIS  76           HE2      HIS  76  -2.449 -12.272  -7.772
  559    H    ASN  77           HN       ASN  77  -1.818 -10.380  -1.365
  560    HA   ASN  77           HA       ASN  77  -4.656 -10.507  -2.131
  561    HB2  ASN  77           HB2      ASN  77  -3.102 -12.303  -0.257
  562    HB3  ASN  77           HB1      ASN  77  -4.860 -12.268  -0.325
  563   HD21  ASN  77          HD21      ASN  77  -3.029 -14.449  -0.850
  564   HD22  ASN  77          HD22      ASN  77  -3.345 -14.966  -2.473
  565    H    VAL  78           HN       VAL  78  -4.753  -8.309  -1.466
  566    HA   VAL  78           HA       VAL  78  -4.724  -7.959   1.459
  567    HB   VAL  78           HB       VAL  78  -2.836  -6.786   0.297
  568   HG11  VAL  78          HG11      VAL  78  -3.329  -4.794  -1.024
  569   HG12  VAL  78          HG12      VAL  78  -5.053  -5.150  -0.917
  570   HG13  VAL  78          HG13      VAL  78  -3.977  -6.247  -1.780
  571   HG21  VAL  78          HG21      VAL  78  -4.869  -5.034   1.669
  572   HG22  VAL  78          HG22      VAL  78  -3.178  -4.611   1.406
  573   HG23  VAL  78          HG23      VAL  78  -3.596  -5.975   2.441
  574    H    SER  79           HN       SER  79  -6.218  -6.365   2.271
  575    HA   SER  79           HA       SER  79  -8.418  -5.668   0.441
  576    HB2  SER  79           HB2      SER  79  -8.718  -6.104   3.416
  577    HB3  SER  79           HB1      SER  79  -9.991  -6.003   2.199
  578    HG   SER  79           HG       SER  79  -8.182  -8.106   2.715
  579    H    LEU  80           HN       LEU  80  -8.405  -3.492   0.106
  580    HA   LEU  80           HA       LEU  80  -7.310  -1.745   2.146
  581    HB2  LEU  80           HB2      LEU  80  -8.401  -1.268  -0.611
  582    HB3  LEU  80           HB1      LEU  80  -8.108   0.066   0.479
  583    HG   LEU  80           HG       LEU  80  -6.188  -0.038  -0.882
  584   HD11  LEU  80          HD11      LEU  80  -4.373  -0.656   0.577
  585   HD12  LEU  80          HD12      LEU  80  -5.502  -1.518   1.625
  586   HD13  LEU  80          HD13      LEU  80  -5.634   0.232   1.440
  587   HD21  LEU  80          HD21      LEU  80  -6.063  -3.005  -0.373
  588   HD22  LEU  80          HD22      LEU  80  -4.934  -2.062  -1.349
  589   HD23  LEU  80          HD23      LEU  80  -6.611  -2.241  -1.865
  590    H    VAL  81           HN       VAL  81  -8.789  -2.452   3.704
  591    HA   VAL  81           HA       VAL  81 -11.627  -1.985   3.321
  592    HB   VAL  81           HB       VAL  81 -10.660  -4.156   4.132
  593   HG11  VAL  81          HG11      VAL  81 -10.198  -2.587   6.654
  594   HG12  VAL  81          HG12      VAL  81  -8.973  -3.342   5.633
  595   HG13  VAL  81          HG13      VAL  81 -10.119  -4.345   6.522
  596   HG21  VAL  81          HG21      VAL  81 -12.425  -4.567   5.785
  597   HG22  VAL  81          HG22      VAL  81 -13.022  -3.678   4.384
  598   HG23  VAL  81          HG23      VAL  81 -12.709  -2.829   5.897
  599    H    LEU  82           HN       LEU  82  -9.361   0.042   4.173
  600    HA   LEU  82           HA       LEU  82 -10.426   1.142   6.622
  601    HB2  LEU  82           HB2      LEU  82  -8.042   1.430   5.696
  602    HB3  LEU  82           HB1      LEU  82  -8.734   2.607   4.597
  603    HG   LEU  82           HG       LEU  82  -9.585   3.803   6.721
  604   HD11  LEU  82          HD11      LEU  82  -7.434   2.072   7.924
  605   HD12  LEU  82          HD12      LEU  82  -9.162   1.938   8.248
  606   HD13  LEU  82          HD13      LEU  82  -8.284   3.390   8.729
  607   HD21  LEU  82          HD21      LEU  82  -6.624   3.674   6.135
  608   HD22  LEU  82          HD22      LEU  82  -7.443   4.968   7.012
  609   HD23  LEU  82          HD23      LEU  82  -7.802   4.693   5.307
  610    H    GLU  83           HN       GLU  83 -12.318   0.599   4.630
  611    HA   GLU  83           HA       GLU  83 -13.769   3.028   4.375
  612    HB2  GLU  83           HB2      GLU  83 -12.087   3.235   2.516
  613    HB3  GLU  83           HB1      GLU  83 -12.723   1.747   1.831
  614    HG2  GLU  83           HG2      GLU  83 -14.798   2.773   1.311
  615    HG3  GLU  83           HG1      GLU  83 -14.425   4.187   2.296
  616    H    ALA  84           HN       ALA  84 -14.101   0.544   5.591
  617    HA   ALA  84           HA       ALA  84 -15.406  -1.293   5.806
  618    HB1  ALA  84           HB1      ALA  84 -17.619  -1.270   4.777
  619    HB2  ALA  84           HB2      ALA  84 -17.124   0.057   3.725
  620    HB3  ALA  84           HB3      ALA  84 -17.222   0.305   5.468
  621    H    THR  85           HN       THR  85 -16.826  -2.874   4.041
  622    HA   THR  85           HA       THR  85 -14.647  -4.195   2.746
  623    HB   THR  85           HB       THR  85 -16.412  -5.508   3.816
  624    HG1  THR  85           HG1      THR  85 -16.951  -6.733   1.672
  625   HG21  THR  85          HG21      THR  85 -18.340  -4.100   3.362
  626   HG22  THR  85          HG22      THR  85 -18.623  -5.728   2.744
  627   HG23  THR  85          HG23      THR  85 -18.199  -4.423   1.635
  628    H    GLN  86           HN       GLN  86 -14.112  -4.289   0.654
  629    HA   GLN  86           HA       GLN  86 -15.825  -3.316  -1.433
  630    HB2  GLN  86           HB2      GLN  86 -13.373  -1.846  -0.510
  631    HB3  GLN  86           HB1      GLN  86 -13.846  -1.813  -2.201
  632    HG2  GLN  86           HG2      GLN  86 -16.051  -0.948  -1.547
  633    HG3  GLN  86           HG1      GLN  86 -15.521  -0.931   0.131
  634   HE21  GLN  86          HE21      GLN  86 -12.822  -0.028  -0.575
  635   HE22  GLN  86          HE22      GLN  86 -12.992   1.649  -0.969
  636    HA   PRO  87           HA       PRO  87 -14.475  -7.133  -3.101
  637    HB2  PRO  87           HB2      PRO  87 -14.079  -5.593  -5.600
  638    HB3  PRO  87           HB1      PRO  87 -15.060  -7.030  -5.301
  639    HG2  PRO  87           HG2      PRO  87 -15.929  -4.325  -5.363
  640    HG3  PRO  87           HG1      PRO  87 -16.884  -5.756  -4.951
  641    HD2  PRO  87           HD2      PRO  87 -16.224  -3.698  -3.203
  642    HD3  PRO  87           HD1      PRO  87 -16.747  -5.324  -2.723
  643    HA   PRO  88           HA       PRO  88 -10.000  -6.301  -3.291
  644    HB2  PRO  88           HB2      PRO  88  -9.364  -7.463  -0.913
  645    HB3  PRO  88           HB1      PRO  88  -9.906  -5.790  -1.054
  646    HG2  PRO  88           HG2      PRO  88 -11.284  -8.038   0.147
  647    HG3  PRO  88           HG1      PRO  88 -11.754  -6.333   0.142
  648    HD2  PRO  88           HD2      PRO  88 -12.644  -8.532  -1.581
  649    HD3  PRO  88           HD1      PRO  88 -13.427  -6.977  -1.225
  650    H    SER  89           HN       SER  89  -8.135  -7.979  -2.818
  651    HA   SER  89           HA       SER  89  -8.829 -10.463  -4.140
  652    HB2  SER  89           HB2      SER  89  -6.144  -9.539  -3.085
  653    HB3  SER  89           HB1      SER  89  -6.431 -10.870  -4.207
  654    HG   SER  89           HG       SER  89  -7.516  -9.068  -5.498
  655    H    GLU  90           HN       GLU  90  -8.100  -9.272  -0.994
  656    HA   GLU  90           HA       GLU  90  -8.094 -11.961   0.174
  657    HB2  GLU  90           HB2      GLU  90  -6.317 -10.439   0.877
  658    HB3  GLU  90           HB1      GLU  90  -7.501  -9.223   1.323
  659    HG2  GLU  90           HG2      GLU  90  -8.321 -10.691   3.103
  660    HG3  GLU  90           HG1      GLU  90  -7.108 -11.892   2.655
  661    H    GLN  91           HN       GLN  91  -9.696 -12.465   1.851
  662    HA   GLN  91           HA       GLN  91 -11.989 -10.633   1.762
  663    HB2  GLN  91           HB2      GLN  91 -12.345 -12.622   0.282
  664    HB3  GLN  91           HB1      GLN  91 -12.253 -13.636   1.715
  665    HG2  GLN  91           HG2      GLN  91 -14.194 -12.577   2.655
  666    HG3  GLN  91           HG1      GLN  91 -14.252 -11.423   1.327
  667   HE21  GLN  91          HE21      GLN  91 -13.581 -13.477  -0.675
  668   HE22  GLN  91          HE22      GLN  91 -15.027 -14.412  -0.874
  669    HA   PRO  92           HA       PRO  92 -11.617 -11.354   6.193
  670    HB2  PRO  92           HB2      PRO  92 -12.681  -9.016   6.949
  671    HB3  PRO  92           HB1      PRO  92 -11.027  -9.111   6.338
  672    HG2  PRO  92           HG2      PRO  92 -13.508  -8.199   4.951
  673    HG3  PRO  92           HG1      PRO  92 -11.864  -7.546   4.856
  674    HD2  PRO  92           HD2      PRO  92 -13.014  -9.256   2.998
  675    HD3  PRO  92           HD1      PRO  92 -11.272  -8.996   3.203
  676    H    GLY  93           HN       GLY  93 -13.554 -10.674   7.912
  677    HA2  GLY  93           HA2      GLY  93 -15.935 -12.011   6.858
  678    HA3  GLY  93           HA1      GLY  93 -15.577 -11.709   8.552
  679    H    THR  94           HN       THR  94 -15.789  -9.548   9.353
  680    HA   THR  94           HA       THR  94 -17.032  -7.536   7.712
  681    HB   THR  94           HB       THR  94 -18.621  -8.527  10.093
  682    HG1  THR  94           HG1      THR  94 -18.582  -9.394   7.460
  683   HG21  THR  94          HG21      THR  94 -20.386  -7.099   9.156
  684   HG22  THR  94          HG22      THR  94 -19.300  -6.605   7.857
  685   HG23  THR  94          HG23      THR  94 -18.936  -6.163   9.527
  686    H    ASP  95           HN       ASP  95 -14.937  -6.698   8.412
  687    HA   ASP  95           HA       ASP  95 -15.144  -5.149  10.835
  688    HB2  ASP  95           HB2      ASP  95 -13.093  -5.974  11.851
  689    HB3  ASP  95           HB1      ASP  95 -14.225  -7.306  11.652
  690    H    GLY  96           HN       GLY  96 -12.711  -4.117  11.087
  691    HA2  GLY  96           HA2      GLY  96 -10.862  -3.379   9.569
  692    HA3  GLY  96           HA1      GLY  96 -12.129  -3.055   8.389
  693    H    GLN  97           HN       GLN  97 -12.610  -0.976   8.216
  694    HA   GLN  97           HA       GLN  97 -13.004   0.625  10.597
  695    HB2  GLN  97           HB2      GLN  97 -10.513   0.685   9.478
  696    HB3  GLN  97           HB1      GLN  97 -11.308   1.984   8.599
  697    HG2  GLN  97           HG2      GLN  97 -11.302   1.811  11.599
  698    HG3  GLN  97           HG1      GLN  97 -10.043   2.633  10.683
  699   HE21  GLN  97          HE21      GLN  97 -11.955   3.681  12.625
  700   HE22  GLN  97          HE22      GLN  97 -12.819   4.936  11.805
  Start of MODEL    7
    1    H    ASP   1           HN       ASP   1  20.006   8.664   7.926
    2    HA   ASP   1           HA       ASP   1  17.366   9.139   6.763
    3    HB2  ASP   1           HB2      ASP   1  19.166  10.550   5.931
    4    HB3  ASP   1           HB1      ASP   1  20.097   9.130   5.467
    5    HA   PRO   2           HA       PRO   2  18.412   4.990   4.652
    6    HB2  PRO   2           HB2      PRO   2  20.845   3.834   5.639
    7    HB3  PRO   2           HB1      PRO   2  20.513   4.445   4.018
    8    HG2  PRO   2           HG2      PRO   2  22.292   5.584   5.788
    9    HG3  PRO   2           HG1      PRO   2  21.524   6.440   4.442
   10    HD2  PRO   2           HD2      PRO   2  20.811   6.438   7.345
   11    HD3  PRO   2           HD1      PRO   2  20.797   7.781   6.182
   12    H    VAL   3           HN       VAL   3  16.832   5.032   6.639
   13    HA   VAL   3           HA       VAL   3  17.597   3.292   8.829
   14    HB   VAL   3           HB       VAL   3  16.164   5.348   9.078
   15   HG11  VAL   3          HG11      VAL   3  14.740   5.104   7.150
   16   HG12  VAL   3          HG12      VAL   3  13.763   5.158   8.618
   17   HG13  VAL   3          HG13      VAL   3  14.053   3.618   7.808
   18   HG21  VAL   3          HG21      VAL   3  15.054   2.745  10.106
   19   HG22  VAL   3          HG22      VAL   3  14.638   4.341  10.732
   20   HG23  VAL   3          HG23      VAL   3  16.293   3.747  10.863
   21    H    LYS   4           HN       LYS   4  16.097   1.412   9.404
   22    HA   LYS   4           HA       LYS   4  16.210  -0.344   7.168
   23    HB2  LYS   4           HB2      LYS   4  15.264  -0.745   9.967
   24    HB3  LYS   4           HB1      LYS   4  15.295  -2.042   8.779
   25    HG2  LYS   4           HG2      LYS   4  17.776  -1.411   8.483
   26    HG3  LYS   4           HG1      LYS   4  17.586  -0.566  10.020
   27    HD2  LYS   4           HD2      LYS   4  18.308  -2.625  10.742
   28    HD3  LYS   4           HD1      LYS   4  16.561  -2.846  10.801
   29    HE2  LYS   4           HE2      LYS   4  18.374  -3.719   8.549
   30    HE3  LYS   4           HE1      LYS   4  17.693  -4.772   9.786
   31    HZ1  LYS   4           HZ1      LYS   4  16.214  -3.289   7.684
   32    HZ2  LYS   4           HZ2      LYS   4  15.461  -4.110   8.964
   33    HZ3  LYS   4           HZ3      LYS   4  16.386  -4.969   7.831
   34    HA   PRO   5           HA       PRO   5  11.319  -0.188   7.272
   35    HB2  PRO   5           HB2      PRO   5  10.453   2.368   7.876
   36    HB3  PRO   5           HB1      PRO   5  10.352   0.985   8.970
   37    HG2  PRO   5           HG2      PRO   5  12.374   3.179   8.865
   38    HG3  PRO   5           HG1      PRO   5  11.637   2.396  10.276
   39    HD2  PRO   5           HD2      PRO   5  14.130   1.798   9.475
   40    HD3  PRO   5           HD1      PRO   5  13.050   0.560  10.149
   41    H    SER   6           HN       SER   6  13.875   1.401   6.190
   42    HA   SER   6           HA       SER   6  12.552   2.387   3.764
   43    HB2  SER   6           HB2      SER   6  14.714   3.678   5.435
   44    HB3  SER   6           HB1      SER   6  14.434   4.132   3.749
   45    HG   SER   6           HG       SER   6  12.434   4.898   4.285
   46    H    ARG   7           HN       ARG   7  14.441   0.097   5.051
   47    HA   ARG   7           HA       ARG   7  15.692  -0.659   2.634
   48    HB2  ARG   7           HB2      ARG   7  17.256   1.123   3.170
   49    HB3  ARG   7           HB1      ARG   7  17.475   0.484   4.791
   50    HG2  ARG   7           HG2      ARG   7  18.549  -1.487   3.919
   51    HG3  ARG   7           HG1      ARG   7  18.242  -0.958   2.263
   52    HD2  ARG   7           HD2      ARG   7  20.560  -0.523   3.055
   53    HD3  ARG   7           HD1      ARG   7  19.696   0.919   2.522
   54    HE   ARG   7           HE       ARG   7  19.329   1.416   4.909
   55   HH11  ARG   7          HH11      ARG   7  21.832  -0.890   4.094
   56   HH12  ARG   7          HH12      ARG   7  22.831  -0.485   5.458
   57   HH21  ARG   7          HH21      ARG   7  20.604   1.941   6.721
   58   HH22  ARG   7          HH22      ARG   7  22.122   1.129   6.971
   59    H    GLY   8           HN       GLY   8  15.245  -2.716   2.804
   60    HA2  GLY   8           HA2      GLY   8  16.301  -4.259   5.043
   61    HA3  GLY   8           HA1      GLY   8  14.556  -4.316   4.823
   62    HA   PRO   9           HA       PRO   9  15.822  -7.663   2.037
   63    HB2  PRO   9           HB2      PRO   9  13.114  -8.637   2.353
   64    HB3  PRO   9           HB1      PRO   9  14.616  -9.388   2.888
   65    HG2  PRO   9           HG2      PRO   9  12.727  -8.373   4.588
   66    HG3  PRO   9           HG1      PRO   9  14.447  -8.523   4.995
   67    HD2  PRO   9           HD2      PRO   9  12.902  -6.114   4.133
   68    HD3  PRO   9           HD1      PRO   9  14.208  -6.250   5.330
   69    H    LEU  10           HN       LEU  10  15.314  -7.891  -0.167
   70    HA   LEU  10           HA       LEU  10  13.698  -5.762  -1.237
   71    HB2  LEU  10           HB2      LEU  10  15.096  -8.037  -2.633
   72    HB3  LEU  10           HB1      LEU  10  14.277  -6.714  -3.438
   73    HG   LEU  10           HG       LEU  10  16.706  -6.458  -1.664
   74   HD11  LEU  10          HD11      LEU  10  17.194  -7.496  -3.821
   75   HD12  LEU  10          HD12      LEU  10  17.875  -5.872  -3.721
   76   HD13  LEU  10          HD13      LEU  10  16.402  -6.154  -4.648
   77   HD21  LEU  10          HD21      LEU  10  15.240  -4.374  -3.280
   78   HD22  LEU  10          HD22      LEU  10  16.717  -4.122  -2.347
   79   HD23  LEU  10          HD23      LEU  10  15.208  -4.521  -1.523
   80    H    VAL  11           HN       VAL  11  11.655  -6.019  -0.783
   81    HA   VAL  11           HA       VAL  11  10.394  -8.627  -1.074
   82    HB   VAL  11           HB       VAL  11   9.482  -6.076   0.259
   83   HG11  VAL  11          HG11      VAL  11   7.525  -7.341   1.027
   84   HG12  VAL  11          HG12      VAL  11   7.999  -8.686  -0.007
   85   HG13  VAL  11          HG13      VAL  11   7.540  -7.141  -0.725
   86   HG21  VAL  11          HG21      VAL  11   9.578  -7.451   2.300
   87   HG22  VAL  11          HG22      VAL  11  11.148  -7.321   1.508
   88   HG23  VAL  11          HG23      VAL  11  10.199  -8.797   1.346
   89    H    THR  12           HN       THR  12   9.590  -9.045  -3.008
   90    HA   THR  12           HA       THR  12   8.590  -6.986  -4.742
   91    HB   THR  12           HB       THR  12   8.517  -9.995  -4.930
   92    HG1  THR  12           HG1      THR  12   9.772  -8.279  -6.777
   93   HG21  THR  12          HG21      THR  12   7.601  -9.739  -7.181
   94   HG22  THR  12          HG22      THR  12   7.511  -7.993  -6.954
   95   HG23  THR  12          HG23      THR  12   6.498  -9.061  -5.978
   96    H    CYS  13           HN       CYS  13   6.590  -6.283  -4.916
   97    HA   CYS  13           HA       CYS  13   4.413  -7.883  -3.784
   98    HB2  CYS  13           HB2      CYS  13   4.610  -4.877  -3.472
   99    HB3  CYS  13           HB1      CYS  13   3.409  -5.946  -2.761
  100    H    THR  14           HN       THR  14   2.534  -7.793  -4.963
  101    HA   THR  14           HA       THR  14   2.319  -7.098  -7.599
  102    HB   THR  14           HB       THR  14   0.261  -7.032  -5.382
  103    HG1  THR  14           HG1      THR  14   0.574  -8.943  -7.466
  104   HG21  THR  14          HG21      THR  14  -0.320  -7.006  -8.346
  105   HG22  THR  14          HG22      THR  14  -0.516  -5.620  -7.270
  106   HG23  THR  14          HG23      THR  14  -1.497  -7.069  -7.031
  107    H    CYS  15           HN       CYS  15   2.001  -5.139  -8.738
  108    HA   CYS  15           HA       CYS  15   1.740  -2.775  -6.999
  109    HB2  CYS  15           HB2      CYS  15   3.965  -3.370  -8.629
  110    HB3  CYS  15           HB1      CYS  15   3.091  -2.076  -9.433
  111    H    GLU  16           HN       GLU  16   0.456  -1.118  -7.739
  112    HA   GLU  16           HA       GLU  16  -0.656  -1.213 -10.407
  113    HB2  GLU  16           HB2      GLU  16  -2.029  -2.748  -8.721
  114    HB3  GLU  16           HB1      GLU  16  -2.726  -1.199  -8.255
  115    HG2  GLU  16           HG2      GLU  16  -2.855  -2.575 -10.916
  116    HG3  GLU  16           HG1      GLU  16  -4.179  -2.076  -9.867
  117    H    SER  17           HN       SER  17   0.250   0.801 -10.626
  118    HA   SER  17           HA       SER  17   0.338   3.063 -10.664
  119    HB2  SER  17           HB2      SER  17  -2.337   2.969  -9.302
  120    HB3  SER  17           HB1      SER  17  -1.702   4.264 -10.320
  121    HG   SER  17           HG       SER  17  -2.751   1.768 -11.052
  122    HA   PRO  18           HA       PRO  18   0.621   3.892  -6.010
  123    HB2  PRO  18           HB2      PRO  18   2.007   1.796  -4.846
  124    HB3  PRO  18           HB1      PRO  18   0.246   1.862  -4.991
  125    HG2  PRO  18           HG2      PRO  18   2.019   0.032  -6.239
  126    HG3  PRO  18           HG1      PRO  18   0.283   0.210  -6.546
  127    HD2  PRO  18           HD2      PRO  18   2.605   1.403  -8.019
  128    HD3  PRO  18           HD1      PRO  18   1.060   0.780  -8.657
  129    H    HIS  19           HN       HIS  19   3.315   1.753  -6.314
  130    HA   HIS  19           HA       HIS  19   5.273   3.924  -6.136
  131    HB2  HIS  19           HB2      HIS  19   6.065   1.072  -5.833
  132    HB3  HIS  19           HB1      HIS  19   6.581   2.482  -4.910
  133    HD1  HIS  19           HD1      HIS  19   3.987  -0.188  -5.008
  134    HD2  HIS  19           HD2      HIS  19   4.969   3.079  -2.678
  135    HE1  HIS  19           HE1      HIS  19   2.513  -0.331  -2.979
  136    HE2  HIS  19           HE2      HIS  19   3.339   1.497  -1.471
  137    H    CYS  20           HN       CYS  20   3.617   2.251  -8.301
  138    HA   CYS  20           HA       CYS  20   5.766   2.021 -10.257
  139    HB2  CYS  20           HB2      CYS  20   3.722  -0.174  -9.934
  140    HB3  CYS  20           HB1      CYS  20   5.256  -0.223 -10.801
  141    H    LYS  21           HN       LYS  21   4.376   1.140 -12.378
  142    HA   LYS  21           HA       LYS  21   2.076   2.970 -12.491
  143    HB2  LYS  21           HB2      LYS  21   4.149   2.264 -14.545
  144    HB3  LYS  21           HB1      LYS  21   2.594   2.939 -15.015
  145    HG2  LYS  21           HG2      LYS  21   3.256   4.989 -14.503
  146    HG3  LYS  21           HG1      LYS  21   3.748   4.484 -12.887
  147    HD2  LYS  21           HD2      LYS  21   5.426   4.105 -15.363
  148    HD3  LYS  21           HD1      LYS  21   5.583   5.474 -14.261
  149    HE2  LYS  21           HE2      LYS  21   6.072   3.906 -12.425
  150    HE3  LYS  21           HE1      LYS  21   5.960   2.564 -13.563
  151    HZ1  LYS  21           HZ1      LYS  21   7.930   4.784 -13.677
  152    HZ2  LYS  21           HZ2      LYS  21   7.811   3.519 -14.802
  153    HZ3  LYS  21           HZ3      LYS  21   8.250   3.187 -13.198
  154    H    GLY  22           HN       GLY  22   2.403  -0.114 -11.943
  155    HA2  GLY  22           HA2      GLY  22  -0.090  -0.898 -12.520
  156    HA3  GLY  22           HA1      GLY  22   0.668  -1.035 -14.082
  157    HA   PRO  23           HA       PRO  23   2.113  -4.938 -13.023
  158    HB2  PRO  23           HB2      PRO  23   4.863  -5.035 -13.217
  159    HB3  PRO  23           HB1      PRO  23   3.744  -4.842 -14.555
  160    HG2  PRO  23           HG2      PRO  23   5.613  -2.919 -13.572
  161    HG3  PRO  23           HG1      PRO  23   4.433  -2.707 -14.876
  162    HD2  PRO  23           HD2      PRO  23   4.245  -1.934 -12.002
  163    HD3  PRO  23           HD1      PRO  23   3.499  -1.171 -13.421
  164    H    THR  24           HN       THR  24   5.181  -4.157 -11.546
  165    HA   THR  24           HA       THR  24   4.406  -5.172  -8.945
  166    HB   THR  24           HB       THR  24   6.270  -6.924  -9.072
  167    HG1  THR  24           HG1      THR  24   6.657  -7.711 -11.236
  168   HG21  THR  24          HG21      THR  24   4.833  -8.645 -10.052
  169   HG22  THR  24          HG22      THR  24   3.800  -7.392 -10.745
  170   HG23  THR  24          HG23      THR  24   3.917  -7.572  -8.993
  171    H    CYS  25           HN       CYS  25   6.453  -5.281  -7.513
  172    HA   CYS  25           HA       CYS  25   8.821  -4.057  -8.475
  173    HB2  CYS  25           HB2      CYS  25   8.774  -1.976  -7.308
  174    HB3  CYS  25           HB1      CYS  25   7.266  -2.074  -8.195
  175    H    ARG  26           HN       ARG  26  10.477  -4.776  -7.222
  176    HA   ARG  26           HA       ARG  26   9.824  -5.711  -4.533
  177    HB2  ARG  26           HB2      ARG  26  12.333  -6.459  -4.636
  178    HB3  ARG  26           HB1      ARG  26  11.074  -7.411  -5.400
  179    HG2  ARG  26           HG2      ARG  26  11.638  -6.405  -7.561
  180    HG3  ARG  26           HG1      ARG  26  12.935  -5.488  -6.776
  181    HD2  ARG  26           HD2      ARG  26  13.999  -7.557  -6.082
  182    HD3  ARG  26           HD1      ARG  26  12.688  -8.489  -6.798
  183    HE   ARG  26           HE       ARG  26  13.633  -7.060  -8.895
  184   HH11  ARG  26          HH11      ARG  26  15.165  -9.104  -6.484
  185   HH12  ARG  26          HH12      ARG  26  16.420  -9.641  -7.562
  186   HH21  ARG  26          HH21      ARG  26  15.290  -7.807 -10.316
  187   HH22  ARG  26          HH22      ARG  26  16.490  -8.915  -9.713
  188    H    GLY  27           HN       GLY  27  10.183  -4.550  -2.869
  189    HA2  GLY  27           HA2      GLY  27  12.063  -2.270  -3.062
  190    HA3  GLY  27           HA1      GLY  27  10.475  -2.127  -2.333
  191    H    ALA  28           HN       ALA  28  10.265  -2.463  -0.262
  192    HA   ALA  28           HA       ALA  28  12.438  -3.882   1.165
  193    HB1  ALA  28           HB1      ALA  28  12.617  -1.434   1.489
  194    HB2  ALA  28           HB2      ALA  28  12.294  -2.303   2.989
  195    HB3  ALA  28           HB3      ALA  28  10.989  -1.435   2.176
  196    H    TRP  29           HN       TRP  29   9.129  -3.158   0.778
  197    HA   TRP  29           HA       TRP  29   8.155  -5.436   2.045
  198    HB2  TRP  29           HB2      TRP  29   6.994  -4.398   3.966
  199    HB3  TRP  29           HB1      TRP  29   8.740  -4.336   4.138
  200    HD1  TRP  29           HD1      TRP  29   7.574  -1.646   1.836
  201    HE1  TRP  29           HE1      TRP  29   7.505   0.605   3.071
  202    HE3  TRP  29           HE3      TRP  29   8.150  -3.323   6.626
  203    HZ2  TRP  29           HZ2      TRP  29   7.691   1.552   5.706
  204    HZ3  TRP  29           HZ3      TRP  29   8.198  -1.672   8.449
  205    HH2  TRP  29           HH2      TRP  29   7.973   0.715   8.000
  206    H    CYS  30           HN       CYS  30   5.668  -5.094   2.421
  207    HA   CYS  30           HA       CYS  30   4.799  -3.935  -0.107
  208    HB2  CYS  30           HB2      CYS  30   3.409  -5.810   1.817
  209    HB3  CYS  30           HB1      CYS  30   2.647  -5.143   0.380
  210    H    THR  31           HN       THR  31   3.434  -2.300  -0.236
  211    HA   THR  31           HA       THR  31   2.019  -1.436   2.190
  212    HB   THR  31           HB       THR  31   2.211   0.966   1.344
  213    HG1  THR  31           HG1      THR  31   4.460  -0.173   0.000
  214   HG21  THR  31          HG21      THR  31   4.710  -0.376   2.393
  215   HG22  THR  31          HG22      THR  31   3.345   0.167   3.369
  216   HG23  THR  31          HG23      THR  31   4.335   1.342   2.503
  217    H    VAL  32           HN       VAL  32  -0.057  -1.478   1.845
  218    HA   VAL  32           HA       VAL  32  -1.043  -1.307  -0.920
  219    HB   VAL  32           HB       VAL  32  -2.868  -2.680  -0.267
  220   HG11  VAL  32          HG11      VAL  32  -1.780  -4.687   0.583
  221   HG12  VAL  32          HG12      VAL  32  -0.385  -3.718   1.061
  222   HG13  VAL  32          HG13      VAL  32  -0.805  -3.878  -0.644
  223   HG21  VAL  32          HG21      VAL  32  -1.935  -2.437   2.584
  224   HG22  VAL  32          HG22      VAL  32  -3.308  -3.389   2.013
  225   HG23  VAL  32          HG23      VAL  32  -3.341  -1.629   1.892
  226    H    VAL  33           HN       VAL  33  -3.084  -0.133  -1.230
  227    HA   VAL  33           HA       VAL  33  -4.084   1.510   0.845
  228    HB   VAL  33           HB       VAL  33  -3.442   3.441  -1.147
  229   HG11  VAL  33          HG11      VAL  33  -2.591   4.682   0.699
  230   HG12  VAL  33          HG12      VAL  33  -2.415   3.214   1.662
  231   HG13  VAL  33          HG13      VAL  33  -4.026   3.799   1.223
  232   HG21  VAL  33          HG21      VAL  33  -0.961   2.201   0.033
  233   HG22  VAL  33          HG22      VAL  33  -1.047   3.617  -1.018
  234   HG23  VAL  33          HG23      VAL  33  -1.465   2.023  -1.650
  235    H    LEU  34           HN       LEU  34  -6.134   1.016   0.345
  236    HA   LEU  34           HA       LEU  34  -7.169   1.605  -2.287
  237    HB2  LEU  34           HB2      LEU  34  -8.201  -0.232  -1.139
  238    HB3  LEU  34           HB1      LEU  34  -8.469   0.744   0.292
  239    HG   LEU  34           HG       LEU  34  -9.970   2.197  -1.208
  240   HD11  LEU  34          HD11      LEU  34 -11.003   1.023  -3.081
  241   HD12  LEU  34          HD12      LEU  34  -9.861  -0.307  -2.879
  242   HD13  LEU  34          HD13      LEU  34  -9.280   1.290  -3.349
  243   HD21  LEU  34          HD21      LEU  34 -10.819  -0.613  -0.553
  244   HD22  LEU  34          HD22      LEU  34 -11.869   0.794  -0.739
  245   HD23  LEU  34          HD23      LEU  34 -10.716   0.718   0.598
  246    H    VAL  35           HN       VAL  35  -7.817   3.557  -2.848
  247    HA   VAL  35           HA       VAL  35  -7.875   5.629  -0.817
  248    HB   VAL  35           HB       VAL  35  -7.871   5.704  -3.823
  249   HG11  VAL  35          HG11      VAL  35  -7.878   8.150  -3.695
  250   HG12  VAL  35          HG12      VAL  35  -8.155   8.064  -1.955
  251   HG13  VAL  35          HG13      VAL  35  -9.387   7.478  -3.076
  252   HG21  VAL  35          HG21      VAL  35  -5.770   6.996  -3.338
  253   HG22  VAL  35          HG22      VAL  35  -5.747   5.301  -2.846
  254   HG23  VAL  35          HG23      VAL  35  -5.991   6.565  -1.637
  255    H    ARG  36           HN       ARG  36  -9.657   6.220   0.128
  256    HA   ARG  36           HA       ARG  36 -12.220   5.503  -1.002
  257    HB2  ARG  36           HB2      ARG  36 -11.382   6.611   1.639
  258    HB3  ARG  36           HB1      ARG  36 -13.075   6.448   1.175
  259    HG2  ARG  36           HG2      ARG  36 -11.116   4.195   1.107
  260    HG3  ARG  36           HG1      ARG  36 -12.156   4.544   2.485
  261    HD2  ARG  36           HD2      ARG  36 -13.007   3.827  -0.312
  262    HD3  ARG  36           HD1      ARG  36 -13.175   2.826   1.130
  263    HE   ARG  36           HE       ARG  36 -14.642   5.363   0.719
  264   HH11  ARG  36          HH11      ARG  36 -14.470   2.065   1.839
  265   HH12  ARG  36          HH12      ARG  36 -16.094   2.039   2.452
  266   HH21  ARG  36          HH21      ARG  36 -16.790   5.342   1.461
  267   HH22  ARG  36          HH22      ARG  36 -17.422   3.912   2.235
  268    H    GLU  37           HN       GLU  37 -11.678   6.918  -2.691
  269    HA   GLU  37           HA       GLU  37 -12.174   9.742  -2.284
  270    HB2  GLU  37           HB2      GLU  37 -10.754   8.428  -4.119
  271    HB3  GLU  37           HB1      GLU  37 -12.284   8.493  -4.982
  272    HG2  GLU  37           HG2      GLU  37 -10.924  10.918  -3.848
  273    HG3  GLU  37           HG1      GLU  37 -10.648  10.320  -5.482
  274    H    GLU  38           HN       GLU  38 -14.139   9.841  -1.376
  275    HA   GLU  38           HA       GLU  38 -16.110   7.945  -1.594
  276    HB2  GLU  38           HB2      GLU  38 -15.653  10.120  -0.021
  277    HB3  GLU  38           HB1      GLU  38 -17.069  10.636  -0.927
  278    HG2  GLU  38           HG2      GLU  38 -17.783   9.613   1.109
  279    HG3  GLU  38           HG1      GLU  38 -18.221   8.565  -0.240
  280    H    GLY  39           HN       GLY  39 -16.925   7.399  -3.527
  281    HA2  GLY  39           HA2      GLY  39 -18.925   7.612  -4.774
  282    HA3  GLY  39           HA1      GLY  39 -18.803   9.354  -4.614
  283    H    ARG  40           HN       ARG  40 -15.730   8.400  -5.478
  284    HA   ARG  40           HA       ARG  40 -16.442   8.373  -8.335
  285    HB2  ARG  40           HB2      ARG  40 -14.219  10.094  -7.253
  286    HB3  ARG  40           HB1      ARG  40 -14.779  10.002  -8.911
  287    HG2  ARG  40           HG2      ARG  40 -15.722  11.966  -8.241
  288    HG3  ARG  40           HG1      ARG  40 -17.032  10.840  -7.872
  289    HD2  ARG  40           HD2      ARG  40 -16.352  10.746  -5.560
  290    HD3  ARG  40           HD1      ARG  40 -14.952  11.757  -5.900
  291    HE   ARG  40           HE       ARG  40 -17.511  12.962  -6.522
  292   HH11  ARG  40          HH11      ARG  40 -14.934  12.517  -4.203
  293   HH12  ARG  40          HH12      ARG  40 -15.403  13.870  -3.213
  294   HH21  ARG  40          HH21      ARG  40 -18.161  14.747  -5.215
  295   HH22  ARG  40          HH22      ARG  40 -17.243  15.133  -3.788
  296    H    HIS  41           HN       HIS  41 -13.603   8.171  -6.136
  297    HA   HIS  41           HA       HIS  41 -12.469   6.284  -8.095
  298    HB2  HIS  41           HB2      HIS  41 -10.985   8.542  -6.747
  299    HB3  HIS  41           HB1      HIS  41 -10.289   7.365  -7.854
  300    HD1  HIS  41           HD1      HIS  41 -11.933  10.620  -7.758
  301    HD2  HIS  41           HD2      HIS  41 -11.405   7.583 -10.544
  302    HE1  HIS  41           HE1      HIS  41 -12.425  11.659  -9.996
  303    HE2  HIS  41           HE2      HIS  41 -12.340   9.737 -11.623
  304    HA   PRO  42           HA       PRO  42 -11.599   4.318  -3.968
  305    HB2  PRO  42           HB2      PRO  42 -13.331   2.166  -4.909
  306    HB3  PRO  42           HB1      PRO  42 -13.373   3.036  -3.373
  307    HG2  PRO  42           HG2      PRO  42 -15.290   3.311  -5.274
  308    HG3  PRO  42           HG1      PRO  42 -14.849   4.609  -4.151
  309    HD2  PRO  42           HD2      PRO  42 -14.059   4.233  -7.016
  310    HD3  PRO  42           HD1      PRO  42 -14.491   5.724  -6.145
  311    H    GLN  43           HN       GLN  43  -9.545   3.844  -4.674
  312    HA   GLN  43           HA       GLN  43  -9.298   1.679  -6.655
  313    HB2  GLN  43           HB2      GLN  43  -7.567   4.154  -6.530
  314    HB3  GLN  43           HB1      GLN  43  -7.364   2.810  -7.647
  315    HG2  GLN  43           HG2      GLN  43  -9.568   3.321  -8.616
  316    HG3  GLN  43           HG1      GLN  43  -9.704   4.703  -7.529
  317   HE21  GLN  43          HE21      GLN  43  -8.371   6.500  -7.858
  318   HE22  GLN  43          HE22      GLN  43  -7.556   6.773  -9.367
  319    H    GLU  44           HN       GLU  44  -7.981   0.078  -6.108
  320    HA   GLU  44           HA       GLU  44  -6.377   0.235  -3.691
  321    HB2  GLU  44           HB2      GLU  44  -6.988  -2.012  -5.608
  322    HB3  GLU  44           HB1      GLU  44  -5.843  -2.177  -4.291
  323    HG2  GLU  44           HG2      GLU  44  -7.615  -1.759  -2.673
  324    HG3  GLU  44           HG1      GLU  44  -8.772  -1.539  -3.991
  325    H    HIS  45           HN       HIS  45  -4.458   1.230  -3.913
  326    HA   HIS  45           HA       HIS  45  -2.789   0.422  -6.203
  327    HB2  HIS  45           HB2      HIS  45  -2.657   2.941  -4.535
  328    HB3  HIS  45           HB1      HIS  45  -1.449   2.495  -5.721
  329    HD1  HIS  45           HD1      HIS  45  -2.784   5.112  -6.158
  330    HD2  HIS  45           HD2      HIS  45  -4.363   1.545  -7.609
  331    HE1  HIS  45           HE1      HIS  45  -4.281   5.758  -8.079
  332    HE2  HIS  45           HE2      HIS  45  -5.053   3.566  -9.065
  333    H    ARG  46           HN       ARG  46  -1.493  -1.170  -5.635
  334    HA   ARG  46           HA       ARG  46  -0.467  -1.271  -2.870
  335    HB2  ARG  46           HB2      ARG  46  -0.695  -3.805  -3.134
  336    HB3  ARG  46           HB1      ARG  46  -2.189  -2.897  -2.956
  337    HG2  ARG  46           HG2      ARG  46  -2.336  -2.942  -5.493
  338    HG3  ARG  46           HG1      ARG  46  -1.051  -4.145  -5.436
  339    HD2  ARG  46           HD2      ARG  46  -2.445  -5.604  -4.079
  340    HD3  ARG  46           HD1      ARG  46  -3.715  -4.377  -4.041
  341    HE   ARG  46           HE       ARG  46  -2.834  -5.455  -6.624
  342   HH11  ARG  46          HH11      ARG  46  -5.352  -5.111  -4.203
  343   HH12  ARG  46          HH12      ARG  46  -6.609  -5.678  -5.252
  344   HH21  ARG  46          HH21      ARG  46  -4.482  -6.165  -8.015
  345   HH22  ARG  46          HH22      ARG  46  -6.115  -6.262  -7.426
  346    H    GLY  47           HN       GLY  47   1.611  -2.321  -2.575
  347    HA2  GLY  47           HA2      GLY  47   3.149  -3.666  -4.420
  348    HA3  GLY  47           HA1      GLY  47   3.409  -1.968  -4.801
  349    H    CYS  48           HN       CYS  48   5.614  -2.168  -4.240
  350    HA   CYS  48           HA       CYS  48   6.260  -2.812  -1.475
  351    HB2  CYS  48           HB2      CYS  48   8.560  -2.823  -2.265
  352    HB3  CYS  48           HB1      CYS  48   7.564  -3.833  -3.301
  353    H    GLY  49           HN       GLY  49   6.961  -1.285  -0.027
  354    HA2  GLY  49           HA2      GLY  49   6.370   1.459  -0.724
  355    HA3  GLY  49           HA1      GLY  49   6.845   0.867   0.865
  356    H    ASN  50           HN       ASN  50   9.144  -0.424  -0.857
  357    HA   ASN  50           HA       ASN  50  11.332  -0.043  -1.284
  358    HB2  ASN  50           HB2      ASN  50  10.515   2.800  -1.903
  359    HB3  ASN  50           HB1      ASN  50  11.976   1.984  -2.441
  360   HD21  ASN  50          HD21      ASN  50  11.793   0.316  -4.017
  361   HD22  ASN  50          HD22      ASN  50  10.420   0.247  -5.065
  362    H    LEU  51           HN       LEU  51  10.732   3.265  -0.246
  363    HA   LEU  51           HA       LEU  51  11.963   2.790   2.329
  364    HB2  LEU  51           HB2      LEU  51  13.507   4.876   1.636
  365    HB3  LEU  51           HB1      LEU  51  14.014   3.206   1.523
  366    HG   LEU  51           HG       LEU  51  13.292   3.242  -0.896
  367   HD11  LEU  51          HD11      LEU  51  13.178   6.220  -0.392
  368   HD12  LEU  51          HD12      LEU  51  11.808   5.182  -0.788
  369   HD13  LEU  51          HD13      LEU  51  13.095   5.433  -1.968
  370   HD21  LEU  51          HD21      LEU  51  15.321   4.448  -1.613
  371   HD22  LEU  51          HD22      LEU  51  15.622   3.378  -0.244
  372   HD23  LEU  51          HD23      LEU  51  15.481   5.118   0.012
  373    H    HIS  52           HN       HIS  52   9.457   3.902   0.989
  374    HA   HIS  52           HA       HIS  52   9.486   6.628   2.064
  375    HB2  HIS  52           HB2      HIS  52   7.279   5.258   0.506
  376    HB3  HIS  52           HB1      HIS  52   7.392   6.971   0.891
  377    HD1  HIS  52           HD1      HIS  52   7.490   5.181  -1.966
  378    HD2  HIS  52           HD2      HIS  52  10.358   7.644  -0.232
  379    HE1  HIS  52           HE1      HIS  52   9.009   5.871  -3.840
  380    HE2  HIS  52           HE2      HIS  52  10.702   7.416  -2.792
  381    H    ARG  53           HN       ARG  53   9.195   6.569   4.224
  382    HA   ARG  53           HA       ARG  53   7.629   4.600   5.554
  383    HB2  ARG  53           HB2      ARG  53   9.459   5.671   6.714
  384    HB3  ARG  53           HB1      ARG  53   8.724   7.253   6.507
  385    HG2  ARG  53           HG2      ARG  53   8.452   6.436   8.780
  386    HG3  ARG  53           HG1      ARG  53   6.891   6.611   7.976
  387    HD2  ARG  53           HD2      ARG  53   7.060   4.140   7.428
  388    HD3  ARG  53           HD1      ARG  53   8.417   4.081   8.553
  389    HE   ARG  53           HE       ARG  53   6.301   5.296   9.886
  390   HH11  ARG  53          HH11      ARG  53   7.037   2.185   8.471
  391   HH12  ARG  53          HH12      ARG  53   6.002   1.300   9.544
  392   HH21  ARG  53          HH21      ARG  53   4.932   4.141  11.311
  393   HH22  ARG  53          HH22      ARG  53   4.809   2.411  11.165
  394    H    GLU  54           HN       GLU  54   6.883   7.620   4.086
  395    HA   GLU  54           HA       GLU  54   4.549   8.279   5.510
  396    HB2  GLU  54           HB2      GLU  54   4.003   9.681   3.555
  397    HB3  GLU  54           HB1      GLU  54   5.655   9.904   4.112
  398    HG2  GLU  54           HG2      GLU  54   6.453   8.452   2.311
  399    HG3  GLU  54           HG1      GLU  54   4.793   8.252   1.751
  400    H    LEU  55           HN       LEU  55   5.182   5.768   3.319
  401    HA   LEU  55           HA       LEU  55   2.507   5.449   2.341
  402    HB2  LEU  55           HB2      LEU  55   4.835   3.532   2.324
  403    HB3  LEU  55           HB1      LEU  55   3.333   3.316   1.445
  404    HG   LEU  55           HG       LEU  55   5.320   5.541   0.986
  405   HD11  LEU  55          HD11      LEU  55   5.787   4.408  -1.113
  406   HD12  LEU  55          HD12      LEU  55   4.669   3.117  -0.677
  407   HD13  LEU  55          HD13      LEU  55   6.144   3.361   0.261
  408   HD21  LEU  55          HD21      LEU  55   2.792   4.822  -0.496
  409   HD22  LEU  55          HD22      LEU  55   3.958   6.052  -0.982
  410   HD23  LEU  55          HD23      LEU  55   3.039   6.250   0.510
  411    H    CYS  56           HN       CYS  56   3.717   5.056   5.348
  412    HA   CYS  56           HA       CYS  56   1.753   2.941   5.940
  413    HB2  CYS  56           HB2      CYS  56   4.305   3.687   7.379
  414    HB3  CYS  56           HB1      CYS  56   3.074   2.656   8.100
  415    H    ARG  57           HN       ARG  57   1.511   5.941   5.633
  416    HA   ARG  57           HA       ARG  57   0.772   6.846   8.287
  417    HB2  ARG  57           HB2      ARG  57   0.493   8.155   5.575
  418    HB3  ARG  57           HB1      ARG  57   0.056   8.920   7.098
  419    HG2  ARG  57           HG2      ARG  57   2.441   8.566   7.827
  420    HG3  ARG  57           HG1      ARG  57   2.787   8.110   6.159
  421    HD2  ARG  57           HD2      ARG  57   1.655  10.744   7.089
  422    HD3  ARG  57           HD1      ARG  57   3.310  10.456   6.561
  423    HE   ARG  57           HE       ARG  57   1.994   9.710   4.390
  424   HH11  ARG  57          HH11      ARG  57   1.511  12.494   6.459
  425   HH12  ARG  57          HH12      ARG  57   0.888  13.501   5.180
  426   HH21  ARG  57          HH21      ARG  57   1.209  11.046   2.691
  427   HH22  ARG  57          HH22      ARG  57   0.711  12.676   3.045
  428    H    GLY  58           HN       GLY  58  -1.508   8.420   7.481
  429    HA2  GLY  58           HA2      GLY  58  -3.653   7.247   6.349
  430    HA3  GLY  58           HA1      GLY  58  -3.514   6.363   7.863
  431    H    ARG  59           HN       ARG  59  -5.263   8.646   6.523
  432    HA   ARG  59           HA       ARG  59  -5.820   9.990   9.055
  433    HB2  ARG  59           HB2      ARG  59  -5.230  11.435   6.458
  434    HB3  ARG  59           HB1      ARG  59  -6.060  12.186   7.812
  435    HG2  ARG  59           HG2      ARG  59  -3.279  11.048   7.915
  436    HG3  ARG  59           HG1      ARG  59  -3.674  12.753   7.696
  437    HD2  ARG  59           HD2      ARG  59  -4.794  12.780   9.864
  438    HD3  ARG  59           HD1      ARG  59  -4.430  11.067  10.082
  439    HE   ARG  59           HE       ARG  59  -2.008  12.318   9.614
  440   HH11  ARG  59          HH11      ARG  59  -4.557  12.553  12.016
  441   HH12  ARG  59          HH12      ARG  59  -3.475  13.018  13.298
  442   HH21  ARG  59          HH21      ARG  59  -0.595  12.932  11.297
  443   HH22  ARG  59          HH22      ARG  59  -1.228  13.237  12.888
  444    HA   PRO  60           HA       PRO  60 -10.010   9.310   7.684
  445    HB2  PRO  60           HB2      PRO  60 -10.807  11.785   9.052
  446    HB3  PRO  60           HB1      PRO  60 -11.268  10.117   9.398
  447    HG2  PRO  60           HG2      PRO  60  -9.625  11.494  11.018
  448    HG3  PRO  60           HG1      PRO  60  -9.438   9.749  10.753
  449    HD2  PRO  60           HD2      PRO  60  -7.900  12.026   9.552
  450    HD3  PRO  60           HD1      PRO  60  -7.306  10.470  10.173
  451    H    THR  61           HN       THR  61  -9.158   9.940   5.521
  452    HA   THR  61           HA       THR  61 -10.800  12.039   4.386
  453    HB   THR  61           HB       THR  61  -7.783  12.156   4.363
  454    HG1  THR  61           HG1      THR  61  -9.642  13.495   5.673
  455   HG21  THR  61          HG21      THR  61  -8.454  12.295   2.048
  456   HG22  THR  61          HG22      THR  61  -7.953  13.896   2.620
  457   HG23  THR  61          HG23      THR  61  -9.667  13.521   2.445
  458    H    GLU  62           HN       GLU  62  -7.881  10.292   3.521
  459    HA   GLU  62           HA       GLU  62  -9.117   8.654   1.539
  460    HB2  GLU  62           HB2      GLU  62  -7.294  10.952   0.774
  461    HB3  GLU  62           HB1      GLU  62  -7.572   9.563  -0.260
  462    HG2  GLU  62           HG2      GLU  62  -9.908  10.133  -0.462
  463    HG3  GLU  62           HG1      GLU  62  -9.699  11.475   0.665
  464    H    PHE  63           HN       PHE  63  -7.148   7.743   0.304
  465    HA   PHE  63           HA       PHE  63  -5.610   6.027   0.558
  466    HB2  PHE  63           HB2      PHE  63  -3.326   6.968   1.061
  467    HB3  PHE  63           HB1      PHE  63  -4.204   7.790  -0.222
  468    HD1  PHE  63           HD1      PHE  63  -3.060   8.032   3.276
  469    HD2  PHE  63           HD2      PHE  63  -4.777  10.090  -0.030
  470    HE1  PHE  63           HE1      PHE  63  -2.670  10.180   4.412
  471    HE2  PHE  63           HE2      PHE  63  -4.396  12.238   1.102
  472    HZ   PHE  63           HZ       PHE  63  -3.337  12.284   3.324
  473    H    VAL  64           HN       VAL  64  -7.304   6.340   2.824
  474    HA   VAL  64           HA       VAL  64  -6.099   6.395   5.292
  475    HB   VAL  64           HB       VAL  64  -8.507   4.892   4.305
  476   HG11  VAL  64          HG11      VAL  64  -9.223   4.827   6.680
  477   HG12  VAL  64          HG12      VAL  64  -7.663   5.502   7.150
  478   HG13  VAL  64          HG13      VAL  64  -7.741   3.907   6.406
  479   HG21  VAL  64          HG21      VAL  64  -8.241   7.558   5.689
  480   HG22  VAL  64          HG22      VAL  64  -9.766   6.761   5.298
  481   HG23  VAL  64          HG23      VAL  64  -8.685   7.285   4.006
  482    H    ASN  65           HN       ASN  65  -6.905   3.619   3.288
  483    HA   ASN  65           HA       ASN  65  -6.060   1.672   5.088
  484    HB2  ASN  65           HB2      ASN  65  -6.451   1.455   2.124
  485    HB3  ASN  65           HB1      ASN  65  -6.517   0.135   3.281
  486   HD21  ASN  65          HD21      ASN  65  -8.555   0.786   1.482
  487   HD22  ASN  65          HD22      ASN  65  -9.921   1.320   2.407
  488    H    HIS  66           HN       HIS  66  -3.777   3.366   4.764
  489    HA   HIS  66           HA       HIS  66  -1.877   2.046   3.079
  490    HB2  HIS  66           HB2      HIS  66  -1.675   4.011   5.330
  491    HB3  HIS  66           HB1      HIS  66  -0.232   3.152   4.808
  492    HD1  HIS  66           HD1      HIS  66  -2.139   6.134   4.166
  493    HD2  HIS  66           HD2      HIS  66   0.315   3.645   1.924
  494    HE1  HIS  66           HE1      HIS  66  -1.367   7.523   2.221
  495    HE2  HIS  66           HE2      HIS  66  -0.053   5.940   0.774
  496    H    TYR  67           HN       TYR  67  -2.138  -0.159   3.522
  497    HA   TYR  67           HA       TYR  67  -1.259  -1.006   6.205
  498    HB2  TYR  67           HB2      TYR  67  -3.344  -2.028   5.349
  499    HB3  TYR  67           HB1      TYR  67  -2.462  -2.645   3.964
  500    HD1  TYR  67           HD2      TYR  67  -0.858  -4.497   4.223
  501    HD2  TYR  67           HD1      TYR  67  -3.182  -3.090   7.498
  502    HE1  TYR  67           HE2      TYR  67  -0.323  -6.545   5.476
  503    HE2  TYR  67           HE1      TYR  67  -2.656  -5.126   8.759
  504    HH   TYR  67           HH       TYR  67  -1.943  -7.395   8.380
  505    H    CYS  68           HN       CYS  68   0.723  -1.810   6.509
  506    HA   CYS  68           HA       CYS  68   2.342  -2.292   4.096
  507    HB2  CYS  68           HB2      CYS  68   3.584  -1.662   6.750
  508    HB3  CYS  68           HB1      CYS  68   4.180  -1.332   5.129
  509    H    CYS  69           HN       CYS  69   4.066  -3.947   4.367
  510    HA   CYS  69           HA       CYS  69   3.271  -6.087   6.231
  511    HB2  CYS  69           HB2      CYS  69   3.881  -6.432   3.280
  512    HB3  CYS  69           HB1      CYS  69   3.706  -7.755   4.421
  513    H    ASP  70           HN       ASP  70   5.099  -7.956   5.740
  514    HA   ASP  70           HA       ASP  70   7.720  -6.652   5.425
  515    HB2  ASP  70           HB2      ASP  70   6.915  -8.578   7.613
  516    HB3  ASP  70           HB1      ASP  70   8.591  -8.257   7.194
  517    H    SER  71           HN       SER  71   5.670  -8.691   4.076
  518    HA   SER  71           HA       SER  71   7.686 -10.727   3.450
  519    HB2  SER  71           HB2      SER  71   5.723 -12.307   3.212
  520    HB3  SER  71           HB1      SER  71   6.066 -11.779   4.859
  521    HG   SER  71           HG       SER  71   4.289 -10.538   4.860
  522    H    HIS  72           HN       HIS  72   7.706 -11.523   1.349
  523    HA   HIS  72           HA       HIS  72   6.894  -9.685  -0.662
  524    HB2  HIS  72           HB2      HIS  72   7.723 -11.552  -2.233
  525    HB3  HIS  72           HB1      HIS  72   8.897 -10.785  -1.173
  526    HD1  HIS  72           HD1      HIS  72  10.433 -12.387  -0.139
  527    HD2  HIS  72           HD2      HIS  72   6.703 -14.089  -0.856
  528    HE1  HIS  72           HE1      HIS  72  10.606 -14.771   0.648
  529    HE2  HIS  72           HE2      HIS  72   8.263 -15.677   0.454
  530    H    LEU  73           HN       LEU  73   5.191  -9.646  -1.886
  531    HA   LEU  73           HA       LEU  73   3.205 -10.132  -2.855
  532    HB2  LEU  73           HB2      LEU  73   3.893 -13.020  -2.290
  533    HB3  LEU  73           HB1      LEU  73   2.649 -12.450  -3.388
  534    HG   LEU  73           HG       LEU  73   5.635 -12.183  -3.707
  535   HD11  LEU  73          HD11      LEU  73   3.528 -13.573  -5.353
  536   HD12  LEU  73          HD12      LEU  73   4.738 -14.346  -4.329
  537   HD13  LEU  73          HD13      LEU  73   5.239 -13.452  -5.764
  538   HD21  LEU  73          HD21      LEU  73   3.442 -10.960  -5.380
  539   HD22  LEU  73          HD22      LEU  73   5.152 -11.002  -5.806
  540   HD23  LEU  73          HD23      LEU  73   4.618 -10.096  -4.389
  541    H    CYS  74           HN       CYS  74   3.103  -9.239  -0.427
  542    HA   CYS  74           HA       CYS  74   1.334 -10.914   1.204
  543    HB2  CYS  74           HB2      CYS  74   3.105  -9.882   2.473
  544    HB3  CYS  74           HB1      CYS  74   2.789  -8.312   1.746
  545    H    ASN  75           HN       ASN  75   1.551  -8.019  -0.652
  546    HA   ASN  75           HA       ASN  75  -1.079  -7.076  -0.020
  547    HB2  ASN  75           HB2      ASN  75  -0.580  -5.309  -1.580
  548    HB3  ASN  75           HB1      ASN  75   0.826  -5.579  -0.556
  549   HD21  ASN  75          HD21      ASN  75   0.573  -4.400  -3.171
  550   HD22  ASN  75          HD22      ASN  75   1.621  -5.285  -4.218
  551    H    HIS  76           HN       HIS  76  -0.035  -9.599  -1.827
  552    HA   HIS  76           HA       HIS  76  -1.814  -9.187  -4.067
  553    HB2  HIS  76           HB2      HIS  76   0.409 -10.264  -4.400
  554    HB3  HIS  76           HB1      HIS  76  -0.137 -11.617  -3.412
  555    HD1  HIS  76           HD1      HIS  76  -0.385 -13.484  -5.039
  556    HD2  HIS  76           HD2      HIS  76  -2.052  -9.948  -6.445
  557    HE1  HIS  76           HE1      HIS  76  -1.561 -14.092  -7.178
  558    HE2  HIS  76           HE2      HIS  76  -2.782 -11.989  -7.848
  559    H    ASN  77           HN       ASN  77  -2.327  -9.845  -1.045
  560    HA   ASN  77           HA       ASN  77  -4.827 -11.169  -1.437
  561    HB2  ASN  77           HB2      ASN  77  -4.392 -13.139  -0.024
  562    HB3  ASN  77           HB1      ASN  77  -3.369 -13.154  -1.455
  563   HD21  ASN  77          HD21      ASN  77  -1.164 -12.947  -1.234
  564   HD22  ASN  77          HD22      ASN  77  -0.367 -13.019   0.297
  565    H    VAL  78           HN       VAL  78  -3.664  -8.734  -0.334
  566    HA   VAL  78           HA       VAL  78  -3.638  -8.939   2.536
  567    HB   VAL  78           HB       VAL  78  -2.143  -7.416   1.331
  568   HG11  VAL  78          HG11      VAL  78  -4.653  -5.912   0.614
  569   HG12  VAL  78          HG12      VAL  78  -3.609  -6.794  -0.499
  570   HG13  VAL  78          HG13      VAL  78  -3.006  -5.354   0.323
  571   HG21  VAL  78          HG21      VAL  78  -4.079  -6.009   3.154
  572   HG22  VAL  78          HG22      VAL  78  -2.483  -5.406   2.701
  573   HG23  VAL  78          HG23      VAL  78  -2.632  -6.898   3.632
  574    H    SER  79           HN       SER  79  -5.037  -7.898   3.984
  575    HA   SER  79           HA       SER  79  -7.687  -7.229   2.942
  576    HB2  SER  79           HB2      SER  79  -8.167  -7.213   5.506
  577    HB3  SER  79           HB1      SER  79  -7.961  -8.729   4.649
  578    HG   SER  79           HG       SER  79  -6.414  -7.601   6.611
  579    H    LEU  80           HN       LEU  80  -7.697  -5.176   2.336
  580    HA   LEU  80           HA       LEU  80  -6.718  -3.189   4.243
  581    HB2  LEU  80           HB2      LEU  80  -5.371  -2.166   2.740
  582    HB3  LEU  80           HB1      LEU  80  -5.242  -3.847   2.226
  583    HG   LEU  80           HG       LEU  80  -7.303  -2.082   0.974
  584   HD11  LEU  80          HD11      LEU  80  -4.439  -2.213   0.126
  585   HD12  LEU  80          HD12      LEU  80  -5.272  -0.799   0.756
  586   HD13  LEU  80          HD13      LEU  80  -5.747  -1.487  -0.797
  587   HD21  LEU  80          HD21      LEU  80  -5.707  -4.454   0.070
  588   HD22  LEU  80          HD22      LEU  80  -6.885  -3.594  -0.923
  589   HD23  LEU  80          HD23      LEU  80  -7.405  -4.433   0.536
  590    H    VAL  81           HN       VAL  81  -9.178  -4.162   2.176
  591    HA   VAL  81           HA       VAL  81 -10.012  -1.954   0.862
  592    HB   VAL  81           HB       VAL  81 -10.849  -4.162   0.391
  593   HG11  VAL  81          HG11      VAL  81 -11.005  -5.063   2.606
  594   HG12  VAL  81          HG12      VAL  81 -12.576  -5.197   1.813
  595   HG13  VAL  81          HG13      VAL  81 -12.300  -3.936   3.014
  596   HG21  VAL  81          HG21      VAL  81 -13.093  -2.294   1.134
  597   HG22  VAL  81          HG22      VAL  81 -13.216  -3.669   0.035
  598   HG23  VAL  81          HG23      VAL  81 -12.195  -2.293  -0.384
  599    H    LEU  82           HN       LEU  82 -10.270  -2.406   4.246
  600    HA   LEU  82           HA       LEU  82 -11.127  -1.094   5.927
  601    HB2  LEU  82           HB2      LEU  82 -10.059   0.772   5.055
  602    HB3  LEU  82           HB1      LEU  82 -10.976   0.741   3.575
  603    HG   LEU  82           HG       LEU  82 -12.284   1.628   6.138
  604   HD11  LEU  82          HD11      LEU  82 -10.674   3.364   4.230
  605   HD12  LEU  82          HD12      LEU  82 -10.196   2.948   5.879
  606   HD13  LEU  82          HD13      LEU  82 -11.634   3.929   5.600
  607   HD21  LEU  82          HD21      LEU  82 -13.688   1.235   4.187
  608   HD22  LEU  82          HD22      LEU  82 -12.648   2.289   3.223
  609   HD23  LEU  82          HD23      LEU  82 -13.599   2.959   4.552
  610    H    GLU  83           HN       GLU  83 -12.783  -2.584   3.771
  611    HA   GLU  83           HA       GLU  83 -15.443  -1.756   4.570
  612    HB2  GLU  83           HB2      GLU  83 -14.480  -0.341   2.584
  613    HB3  GLU  83           HB1      GLU  83 -14.730  -1.814   1.651
  614    HG2  GLU  83           HG2      GLU  83 -16.613  -0.296   1.407
  615    HG3  GLU  83           HG1      GLU  83 -17.101  -1.803   2.180
  616    H    ALA  84           HN       ALA  84 -15.464  -3.960   5.397
  617    HA   ALA  84           HA       ALA  84 -16.009  -6.010   3.478
  618    HB1  ALA  84           HB1      ALA  84 -13.568  -5.979   3.321
  619    HB2  ALA  84           HB2      ALA  84 -14.145  -7.485   4.034
  620    HB3  ALA  84           HB3      ALA  84 -13.449  -6.232   5.062
  621    H    THR  85           HN       THR  85 -16.680  -7.988   4.465
  622    HA   THR  85           HA       THR  85 -16.854  -8.027   7.366
  623    HB   THR  85           HB       THR  85 -18.892  -6.823   6.549
  624    HG1  THR  85           HG1      THR  85 -19.061  -7.966   8.494
  625   HG21  THR  85          HG21      THR  85 -19.520  -9.469   5.241
  626   HG22  THR  85          HG22      THR  85 -19.201  -7.943   4.415
  627   HG23  THR  85          HG23      THR  85 -20.647  -8.124   5.410
  628    H    GLN  86           HN       GLN  86 -15.655  -9.479   5.017
  629    HA   GLN  86           HA       GLN  86 -16.368 -12.192   5.849
  630    HB2  GLN  86           HB2      GLN  86 -16.025 -11.248   2.987
  631    HB3  GLN  86           HB1      GLN  86 -16.116 -12.936   3.469
  632    HG2  GLN  86           HG2      GLN  86 -18.387 -12.573   4.298
  633    HG3  GLN  86           HG1      GLN  86 -18.293 -10.880   3.809
  634   HE21  GLN  86          HE21      GLN  86 -20.025 -11.083   2.395
  635   HE22  GLN  86          HE22      GLN  86 -19.881 -11.919   0.886
  636    HA   PRO  87           HA       PRO  87 -11.897 -12.794   5.802
  637    HB2  PRO  87           HB2      PRO  87 -12.040 -14.879   3.704
  638    HB3  PRO  87           HB1      PRO  87 -11.389 -14.979   5.342
  639    HG2  PRO  87           HG2      PRO  87 -13.699 -16.156   4.697
  640    HG3  PRO  87           HG1      PRO  87 -13.458 -15.403   6.284
  641    HD2  PRO  87           HD2      PRO  87 -14.954 -14.376   3.903
  642    HD3  PRO  87           HD1      PRO  87 -15.365 -14.262   5.627
  643    HA   PRO  88           HA       PRO  88 -11.361 -10.382   2.018
  644    HB2  PRO  88           HB2      PRO  88  -9.871  -8.419   3.333
  645    HB3  PRO  88           HB1      PRO  88 -11.620  -8.424   3.113
  646    HG2  PRO  88           HG2      PRO  88 -10.212  -8.681   5.561
  647    HG3  PRO  88           HG1      PRO  88 -11.955  -8.877   5.313
  648    HD2  PRO  88           HD2      PRO  88  -9.827 -10.910   5.527
  649    HD3  PRO  88           HD1      PRO  88 -11.539 -10.997   5.985
  650    H    SER  89           HN       SER  89  -9.961 -11.632   0.820
  651    HA   SER  89           HA       SER  89  -7.110 -11.070   1.279
  652    HB2  SER  89           HB2      SER  89  -6.702 -13.236   0.008
  653    HB3  SER  89           HB1      SER  89  -7.403 -13.419   1.617
  654    HG   SER  89           HG       SER  89  -8.731 -13.568  -0.887
  655    H    GLU  90           HN       GLU  90  -6.964  -9.262  -0.004
  656    HA   GLU  90           HA       GLU  90  -6.913  -7.948  -1.863
  657    HB2  GLU  90           HB2      GLU  90  -5.611  -9.990  -2.714
  658    HB3  GLU  90           HB1      GLU  90  -7.099 -10.477  -3.512
  659    HG2  GLU  90           HG2      GLU  90  -7.095  -8.376  -4.776
  660    HG3  GLU  90           HG1      GLU  90  -5.581  -7.923  -3.996
  661    H    GLN  91           HN       GLN  91  -9.338  -8.839  -0.587
  662    HA   GLN  91           HA       GLN  91 -11.403  -9.597  -2.287
  663    HB2  GLN  91           HB2      GLN  91 -11.414  -9.811   0.160
  664    HB3  GLN  91           HB1      GLN  91 -11.512  -8.063   0.313
  665    HG2  GLN  91           HG2      GLN  91 -13.666  -9.103   0.685
  666    HG3  GLN  91           HG1      GLN  91 -13.699  -8.076  -0.745
  667   HE21  GLN  91          HE21      GLN  91 -15.521  -9.168  -1.475
  668   HE22  GLN  91          HE22      GLN  91 -15.406 -10.743  -2.191
  669    HA   PRO  92           HA       PRO  92 -12.405  -5.535  -3.968
  670    HB2  PRO  92           HB2      PRO  92 -12.909  -6.364  -6.457
  671    HB3  PRO  92           HB1      PRO  92 -11.251  -6.245  -5.858
  672    HG2  PRO  92           HG2      PRO  92 -12.882  -8.645  -6.395
  673    HG3  PRO  92           HG1      PRO  92 -11.121  -8.470  -6.343
  674    HD2  PRO  92           HD2      PRO  92 -12.901  -9.424  -4.271
  675    HD3  PRO  92           HD1      PRO  92 -11.127  -9.339  -4.252
  676    H    GLY  93           HN       GLY  93 -14.420  -4.789  -5.137
  677    HA2  GLY  93           HA2      GLY  93 -16.648  -5.210  -5.898
  678    HA3  GLY  93           HA1      GLY  93 -16.678  -6.659  -4.906
  679    H    THR  94           HN       THR  94 -15.422  -4.943  -2.719
  680    HA   THR  94           HA       THR  94 -16.022  -3.604  -0.984
  681    HB   THR  94           HB       THR  94 -18.460  -2.786  -2.571
  682    HG1  THR  94           HG1      THR  94 -16.999  -1.955  -3.871
  683   HG21  THR  94          HG21      THR  94 -18.319  -0.742  -1.216
  684   HG22  THR  94          HG22      THR  94 -16.940  -1.417  -0.347
  685   HG23  THR  94          HG23      THR  94 -18.527  -2.172  -0.205
  686    H    ASP  95           HN       ASP  95 -16.348  -5.357   0.338
  687    HA   ASP  95           HA       ASP  95 -18.765  -6.858   0.428
  688    HB2  ASP  95           HB2      ASP  95 -16.398  -6.618   2.271
  689    HB3  ASP  95           HB1      ASP  95 -17.808  -7.563   2.727
  690    H    GLY  96           HN       GLY  96 -17.488  -4.129   2.233
  691    HA2  GLY  96           HA2      GLY  96 -19.633  -4.119   4.148
  692    HA3  GLY  96           HA1      GLY  96 -18.393  -2.887   3.962
  693    H    GLN  97           HN       GLN  97 -21.360  -2.751   4.290
  694    HA   GLN  97           HA       GLN  97 -21.801  -0.705   2.306
  695    HB2  GLN  97           HB2      GLN  97 -22.535  -3.097   1.421
  696    HB3  GLN  97           HB1      GLN  97 -23.937  -2.804   2.438
  697    HG2  GLN  97           HG2      GLN  97 -23.014  -0.941   0.263
  698    HG3  GLN  97           HG1      GLN  97 -24.230  -2.195   0.042
  699   HE21  GLN  97          HE21      GLN  97 -23.532   0.919   1.373
  700   HE22  GLN  97          HE22      GLN  97 -25.157   1.325   1.817
  Start of MODEL    8
    1    H    ASP   1           HN       ASP   1  19.082  14.017   2.236
    2    HA   ASP   1           HA       ASP   1  17.874  13.668  -0.284
    3    HB2  ASP   1           HB2      ASP   1  20.765  14.164   0.450
    4    HB3  ASP   1           HB1      ASP   1  20.192  14.103  -1.212
    5    HA   PRO   2           HA       PRO   2  20.308   9.616  -0.716
    6    HB2  PRO   2           HB2      PRO   2  21.886   8.971   1.563
    7    HB3  PRO   2           HB1      PRO   2  22.458   9.454  -0.034
    8    HG2  PRO   2           HG2      PRO   2  22.748  10.937   2.295
    9    HG3  PRO   2           HG1      PRO   2  22.892  11.573   0.648
   10    HD2  PRO   2           HD2      PRO   2  20.590  11.710   2.543
   11    HD3  PRO   2           HD1      PRO   2  21.160  12.913   1.365
   12    H    VAL   3           HN       VAL   3  18.819   8.094  -0.506
   13    HA   VAL   3           HA       VAL   3  17.955   7.328   2.208
   14    HB   VAL   3           HB       VAL   3  15.921   6.356   1.086
   15   HG11  VAL   3          HG11      VAL   3  15.830   8.488   2.270
   16   HG12  VAL   3          HG12      VAL   3  14.769   8.506   0.862
   17   HG13  VAL   3          HG13      VAL   3  16.324   9.334   0.801
   18   HG21  VAL   3          HG21      VAL   3  16.917   7.959  -1.267
   19   HG22  VAL   3          HG22      VAL   3  15.331   7.197  -1.143
   20   HG23  VAL   3          HG23      VAL   3  16.789   6.204  -1.182
   21    H    LYS   4           HN       LYS   4  17.517   5.031   2.517
   22    HA   LYS   4           HA       LYS   4  19.644   3.490   1.309
   23    HB2  LYS   4           HB2      LYS   4  17.608   2.647   3.379
   24    HB3  LYS   4           HB1      LYS   4  19.088   1.791   2.958
   25    HG2  LYS   4           HG2      LYS   4  20.365   3.807   3.708
   26    HG3  LYS   4           HG1      LYS   4  18.843   4.468   4.307
   27    HD2  LYS   4           HD2      LYS   4  20.004   3.412   6.130
   28    HD3  LYS   4           HD1      LYS   4  18.584   2.445   5.723
   29    HE2  LYS   4           HE2      LYS   4  20.578   1.062   6.137
   30    HE3  LYS   4           HE1      LYS   4  19.958   0.877   4.498
   31    HZ1  LYS   4           HZ1      LYS   4  22.424   1.100   4.682
   32    HZ2  LYS   4           HZ2      LYS   4  22.193   2.700   5.193
   33    HZ3  LYS   4           HZ3      LYS   4  21.690   2.221   3.647
   34    HA   PRO   5           HA       PRO   5  16.952   1.994  -1.933
   35    HB2  PRO   5           HB2      PRO   5  19.243   0.153  -2.337
   36    HB3  PRO   5           HB1      PRO   5  18.446   1.230  -3.490
   37    HG2  PRO   5           HG2      PRO   5  20.848   1.828  -2.522
   38    HG3  PRO   5           HG1      PRO   5  19.628   3.095  -2.762
   39    HD2  PRO   5           HD2      PRO   5  20.471   1.727  -0.234
   40    HD3  PRO   5           HD1      PRO   5  20.117   3.444  -0.521
   41    H    SER   6           HN       SER   6  15.339   0.832  -1.219
   42    HA   SER   6           HA       SER   6  14.071  -1.010  -0.788
   43    HB2  SER   6           HB2      SER   6  16.594  -2.661  -0.563
   44    HB3  SER   6           HB1      SER   6  14.954  -3.227  -0.888
   45    HG   SER   6           HG       SER   6  16.698  -1.783  -2.577
   46    H    ARG   7           HN       ARG   7  16.495   0.215   1.141
   47    HA   ARG   7           HA       ARG   7  16.691   0.585   3.362
   48    HB2  ARG   7           HB2      ARG   7  14.232   1.164   2.819
   49    HB3  ARG   7           HB1      ARG   7  13.846  -0.314   3.688
   50    HG2  ARG   7           HG2      ARG   7  14.813   0.538   5.699
   51    HG3  ARG   7           HG1      ARG   7  15.448   1.949   4.850
   52    HD2  ARG   7           HD2      ARG   7  13.116   2.601   4.308
   53    HD3  ARG   7           HD1      ARG   7  12.548   1.264   5.305
   54    HE   ARG   7           HE       ARG   7  13.775   2.428   7.175
   55   HH11  ARG   7          HH11      ARG   7  12.551   4.190   4.410
   56   HH12  ARG   7          HH12      ARG   7  12.350   5.680   5.280
   57   HH21  ARG   7          HH21      ARG   7  13.519   4.371   8.326
   58   HH22  ARG   7          HH22      ARG   7  12.921   5.793   7.514
   59    H    GLY   8           HN       GLY   8  16.953  -2.288   2.284
   60    HA2  GLY   8           HA2      GLY   8  18.119  -3.813   3.888
   61    HA3  GLY   8           HA1      GLY   8  16.695  -3.633   4.903
   62    HA   PRO   9           HA       PRO   9  15.287  -7.374   3.099
   63    HB2  PRO   9           HB2      PRO   9  12.550  -6.645   3.809
   64    HB3  PRO   9           HB1      PRO   9  13.581  -7.905   4.492
   65    HG2  PRO   9           HG2      PRO   9  12.896  -5.676   5.867
   66    HG3  PRO   9           HG1      PRO   9  14.439  -6.515   6.106
   67    HD2  PRO   9           HD2      PRO   9  13.855  -4.029   4.542
   68    HD3  PRO   9           HD1      PRO   9  15.237  -4.400   5.595
   69    H    LEU  10           HN       LEU  10  15.134  -7.657   0.965
   70    HA   LEU  10           HA       LEU  10  13.638  -5.806  -0.675
   71    HB2  LEU  10           HB2      LEU  10  15.840  -6.802  -1.332
   72    HB3  LEU  10           HB1      LEU  10  15.032  -8.347  -1.499
   73    HG   LEU  10           HG       LEU  10  13.600  -7.378  -3.270
   74   HD11  LEU  10          HD11      LEU  10  15.391  -4.970  -2.976
   75   HD12  LEU  10          HD12      LEU  10  13.682  -5.046  -2.546
   76   HD13  LEU  10          HD13      LEU  10  14.176  -5.216  -4.231
   77   HD21  LEU  10          HD21      LEU  10  15.353  -7.252  -4.980
   78   HD22  LEU  10          HD22      LEU  10  15.622  -8.590  -3.862
   79   HD23  LEU  10          HD23      LEU  10  16.569  -7.109  -3.712
   80    H    VAL  11           HN       VAL  11  11.631  -6.088  -1.386
   81    HA   VAL  11           HA       VAL  11  10.339  -8.693  -1.117
   82    HB   VAL  11           HB       VAL  11   9.311  -6.155   0.171
   83   HG11  VAL  11          HG11      VAL  11   7.439  -7.526   0.953
   84   HG12  VAL  11          HG12      VAL  11   8.052  -8.885   0.010
   85   HG13  VAL  11          HG13      VAL  11   7.492  -7.425  -0.807
   86   HG21  VAL  11          HG21      VAL  11   9.495  -7.384   2.275
   87   HG22  VAL  11          HG22      VAL  11  11.062  -7.229   1.484
   88   HG23  VAL  11          HG23      VAL  11  10.187  -8.758   1.416
   89    H    THR  12           HN       THR  12   9.664  -9.001  -3.158
   90    HA   THR  12           HA       THR  12   8.492  -6.835  -4.672
   91    HB   THR  12           HB       THR  12   9.074  -9.701  -5.274
   92    HG1  THR  12           HG1      THR  12   9.600  -7.252  -6.599
   93   HG21  THR  12          HG21      THR  12   7.250  -7.948  -6.915
   94   HG22  THR  12          HG22      THR  12   6.786  -9.429  -6.074
   95   HG23  THR  12          HG23      THR  12   7.910  -9.502  -7.434
   96    H    CYS  13           HN       CYS  13   6.398  -6.462  -5.012
   97    HA   CYS  13           HA       CYS  13   4.407  -8.369  -4.069
   98    HB2  CYS  13           HB2      CYS  13   5.114  -5.972  -2.657
   99    HB3  CYS  13           HB1      CYS  13   3.475  -5.811  -3.281
  100    H    THR  14           HN       THR  14   2.378  -8.109  -5.047
  101    HA   THR  14           HA       THR  14   2.094  -7.174  -7.603
  102    HB   THR  14           HB       THR  14   0.023  -7.284  -5.397
  103    HG1  THR  14           HG1      THR  14  -0.237  -9.196  -7.247
  104   HG21  THR  14          HG21      THR  14  -0.420  -7.150  -8.385
  105   HG22  THR  14          HG22      THR  14  -0.738  -5.838  -7.249
  106   HG23  THR  14          HG23      THR  14  -1.669  -7.335  -7.151
  107    H    CYS  15           HN       CYS  15   2.105  -5.180  -8.496
  108    HA   CYS  15           HA       CYS  15   1.688  -2.906  -6.655
  109    HB2  CYS  15           HB2      CYS  15   3.991  -3.454  -8.108
  110    HB3  CYS  15           HB1      CYS  15   3.150  -2.265  -9.090
  111    H    GLU  16           HN       GLU  16   0.248  -1.354  -7.286
  112    HA   GLU  16           HA       GLU  16  -0.827  -1.493 -10.001
  113    HB2  GLU  16           HB2      GLU  16  -2.244  -3.032  -8.771
  114    HB3  GLU  16           HB1      GLU  16  -2.513  -1.830  -7.517
  115    HG2  GLU  16           HG2      GLU  16  -4.415  -2.119  -9.078
  116    HG3  GLU  16           HG1      GLU  16  -3.805  -0.470  -8.983
  117    H    SER  17           HN       SER  17   0.125   0.522 -10.317
  118    HA   SER  17           HA       SER  17  -0.015   2.757 -10.614
  119    HB2  SER  17           HB2      SER  17  -2.611   1.945 -10.178
  120    HB3  SER  17           HB1      SER  17  -2.402   3.271  -9.022
  121    HG   SER  17           HG       SER  17  -2.183   4.663 -10.649
  122    HA   PRO  18           HA       PRO  18   0.595   4.034  -6.088
  123    HB2  PRO  18           HB2      PRO  18   2.096   2.034  -4.849
  124    HB3  PRO  18           HB1      PRO  18   0.333   2.152  -4.796
  125    HG2  PRO  18           HG2      PRO  18   1.849   0.112  -5.988
  126    HG3  PRO  18           HG1      PRO  18   0.118   0.403  -6.228
  127    HD2  PRO  18           HD2      PRO  18   2.435   1.319  -7.909
  128    HD3  PRO  18           HD1      PRO  18   0.856   0.666  -8.419
  129    H    HIS  19           HN       HIS  19   3.269   1.895  -6.123
  130    HA   HIS  19           HA       HIS  19   5.228   4.049  -6.307
  131    HB2  HIS  19           HB2      HIS  19   6.212   1.323  -5.866
  132    HB3  HIS  19           HB1      HIS  19   6.500   2.779  -4.916
  133    HD1  HIS  19           HD1      HIS  19   4.127  -0.124  -5.216
  134    HD2  HIS  19           HD2      HIS  19   4.901   3.028  -2.645
  135    HE1  HIS  19           HE1      HIS  19   2.684  -0.515  -3.195
  136    HE2  HIS  19           HE2      HIS  19   3.386   1.254  -1.563
  137    H    CYS  20           HN       CYS  20   3.518   2.283  -8.340
  138    HA   CYS  20           HA       CYS  20   5.649   1.782 -10.258
  139    HB2  CYS  20           HB2      CYS  20   3.657  -0.400  -9.697
  140    HB3  CYS  20           HB1      CYS  20   5.215  -0.507 -10.503
  141    H    LYS  21           HN       LYS  21   4.502   0.854 -12.332
  142    HA   LYS  21           HA       LYS  21   2.386   2.788 -12.876
  143    HB2  LYS  21           HB2      LYS  21   4.326   1.300 -14.630
  144    HB3  LYS  21           HB1      LYS  21   2.941   2.137 -15.303
  145    HG2  LYS  21           HG2      LYS  21   4.936   3.494 -15.478
  146    HG3  LYS  21           HG1      LYS  21   3.771   4.249 -14.396
  147    HD2  LYS  21           HD2      LYS  21   6.135   4.351 -13.604
  148    HD3  LYS  21           HD1      LYS  21   5.024   3.583 -12.470
  149    HE2  LYS  21           HE2      LYS  21   7.062   2.308 -12.563
  150    HE3  LYS  21           HE1      LYS  21   5.754   1.378 -13.293
  151    HZ1  LYS  21           HZ1      LYS  21   6.586   1.866 -15.464
  152    HZ2  LYS  21           HZ2      LYS  21   7.895   1.319 -14.532
  153    HZ3  LYS  21           HZ3      LYS  21   7.722   2.972 -14.857
  154    H    GLY  22           HN       GLY  22   2.101  -0.112 -11.703
  155    HA2  GLY  22           HA2      GLY  22  -0.250  -0.936 -12.169
  156    HA3  GLY  22           HA1      GLY  22   0.326  -1.080 -13.805
  157    HA   PRO  23           HA       PRO  23   1.842  -4.993 -12.773
  158    HB2  PRO  23           HB2      PRO  23   4.545  -5.181 -13.150
  159    HB3  PRO  23           HB1      PRO  23   3.373  -4.885 -14.422
  160    HG2  PRO  23           HG2      PRO  23   5.369  -3.079 -13.391
  161    HG3  PRO  23           HG1      PRO  23   4.232  -2.806 -14.722
  162    HD2  PRO  23           HD2      PRO  23   4.039  -1.997 -11.876
  163    HD3  PRO  23           HD1      PRO  23   3.279  -1.267 -13.305
  164    H    THR  24           HN       THR  24   4.997  -4.217 -11.513
  165    HA   THR  24           HA       THR  24   4.398  -5.185  -8.857
  166    HB   THR  24           HB       THR  24   6.134  -7.037  -9.078
  167    HG1  THR  24           HG1      THR  24   6.570  -7.801 -11.140
  168   HG21  THR  24          HG21      THR  24   3.559  -7.375 -10.619
  169   HG22  THR  24          HG22      THR  24   3.750  -7.534  -8.870
  170   HG23  THR  24          HG23      THR  24   4.545  -8.678  -9.951
  171    H    CYS  25           HN       CYS  25   6.273  -5.071  -7.448
  172    HA   CYS  25           HA       CYS  25   8.786  -4.158  -8.575
  173    HB2  CYS  25           HB2      CYS  25   8.920  -2.135  -7.290
  174    HB3  CYS  25           HB1      CYS  25   7.402  -2.090  -8.172
  175    H    ARG  26           HN       ARG  26  10.436  -3.958  -6.844
  176    HA   ARG  26           HA       ARG  26   9.815  -5.484  -4.428
  177    HB2  ARG  26           HB2      ARG  26  12.331  -6.140  -4.517
  178    HB3  ARG  26           HB1      ARG  26  11.163  -7.064  -5.444
  179    HG2  ARG  26           HG2      ARG  26  11.777  -5.602  -7.416
  180    HG3  ARG  26           HG1      ARG  26  13.115  -5.005  -6.429
  181    HD2  ARG  26           HD2      ARG  26  13.719  -6.889  -7.957
  182    HD3  ARG  26           HD1      ARG  26  14.057  -7.193  -6.253
  183    HE   ARG  26           HE       ARG  26  11.499  -8.171  -6.794
  184   HH11  ARG  26          HH11      ARG  26  14.805  -8.848  -7.734
  185   HH12  ARG  26          HH12      ARG  26  14.519 -10.552  -7.950
  186   HH21  ARG  26          HH21      ARG  26  11.107 -10.380  -7.100
  187   HH22  ARG  26          HH22      ARG  26  12.394 -11.422  -7.621
  188    H    GLY  27           HN       GLY  27  10.461  -4.589  -2.588
  189    HA2  GLY  27           HA2      GLY  27  12.252  -2.295  -2.660
  190    HA3  GLY  27           HA1      GLY  27  10.577  -1.968  -2.248
  191    H    ALA  28           HN       ALA  28  10.504  -1.564  -0.196
  192    HA   ALA  28           HA       ALA  28  12.344  -2.903   1.641
  193    HB1  ALA  28           HB1      ALA  28  10.356  -0.702   2.189
  194    HB2  ALA  28           HB2      ALA  28  12.057  -0.465   1.788
  195    HB3  ALA  28           HB3      ALA  28  11.610  -1.277   3.289
  196    H    TRP  29           HN       TRP  29   8.952  -2.587   1.008
  197    HA   TRP  29           HA       TRP  29   8.253  -5.038   2.153
  198    HB2  TRP  29           HB2      TRP  29   6.851  -4.188   4.027
  199    HB3  TRP  29           HB1      TRP  29   8.571  -3.960   4.298
  200    HD1  TRP  29           HD1      TRP  29   7.012  -1.376   2.033
  201    HE1  TRP  29           HE1      TRP  29   6.764   0.837   3.308
  202    HE3  TRP  29           HE3      TRP  29   8.085  -3.028   6.751
  203    HZ2  TRP  29           HZ2      TRP  29   7.000   1.774   5.959
  204    HZ3  TRP  29           HZ3      TRP  29   8.054  -1.409   8.602
  205    HH2  TRP  29           HH2      TRP  29   7.521   0.946   8.211
  206    H    CYS  30           HN       CYS  30   5.748  -5.049   2.417
  207    HA   CYS  30           HA       CYS  30   4.824  -4.042  -0.147
  208    HB2  CYS  30           HB2      CYS  30   3.613  -6.018   1.797
  209    HB3  CYS  30           HB1      CYS  30   2.887  -5.563   0.260
  210    H    THR  31           HN       THR  31   3.399  -2.407  -0.348
  211    HA   THR  31           HA       THR  31   2.087  -1.457   2.105
  212    HB   THR  31           HB       THR  31   2.425   0.899   0.991
  213    HG1  THR  31           HG1      THR  31   4.354  -0.752  -0.217
  214   HG21  THR  31          HG21      THR  31   4.634  -0.515   2.484
  215   HG22  THR  31          HG22      THR  31   3.243   0.292   3.209
  216   HG23  THR  31          HG23      THR  31   4.452   1.232   2.333
  217    H    VAL  32           HN       VAL  32  -0.005  -1.443   1.823
  218    HA   VAL  32           HA       VAL  32  -1.056  -1.009  -0.884
  219    HB   VAL  32           HB       VAL  32  -3.205  -1.906  -0.044
  220   HG11  VAL  32          HG11      VAL  32  -1.702  -3.359  -1.239
  221   HG12  VAL  32          HG12      VAL  32  -2.504  -4.256   0.050
  222   HG13  VAL  32          HG13      VAL  32  -0.834  -3.730   0.248
  223   HG21  VAL  32          HG21      VAL  32  -2.896  -1.395   2.325
  224   HG22  VAL  32          HG22      VAL  32  -1.646  -2.636   2.426
  225   HG23  VAL  32          HG23      VAL  32  -3.315  -3.090   2.066
  226    H    VAL  33           HN       VAL  33  -2.677   0.439  -1.203
  227    HA   VAL  33           HA       VAL  33  -3.512   2.151   1.001
  228    HB   VAL  33           HB       VAL  33  -3.247   3.969  -1.047
  229   HG11  VAL  33          HG11      VAL  33  -1.316   3.412   1.186
  230   HG12  VAL  33          HG12      VAL  33  -2.770   4.404   1.278
  231   HG13  VAL  33          HG13      VAL  33  -1.415   4.917   0.274
  232   HG21  VAL  33          HG21      VAL  33  -0.963   3.825  -1.870
  233   HG22  VAL  33          HG22      VAL  33  -1.877   2.393  -2.347
  234   HG23  VAL  33          HG23      VAL  33  -0.736   2.304  -1.003
  235    H    LEU  34           HN       LEU  34  -5.626   2.009   0.971
  236    HA   LEU  34           HA       LEU  34  -7.041   1.441  -1.495
  237    HB2  LEU  34           HB2      LEU  34  -7.633   0.260   0.605
  238    HB3  LEU  34           HB1      LEU  34  -8.116   1.790   1.308
  239    HG   LEU  34           HG       LEU  34  -9.870   1.997  -0.455
  240   HD11  LEU  34          HD11      LEU  34  -8.828   0.581  -2.148
  241   HD12  LEU  34          HD12      LEU  34 -10.458   0.027  -1.762
  242   HD13  LEU  34          HD13      LEU  34  -9.058  -0.830  -1.115
  243   HD21  LEU  34          HD21      LEU  34  -9.992  -0.495   1.236
  244   HD22  LEU  34          HD22      LEU  34 -11.371   0.339   0.519
  245   HD23  LEU  34          HD23      LEU  34 -10.405   1.139   1.760
  246    H    VAL  35           HN       VAL  35  -7.846   2.967  -2.722
  247    HA   VAL  35           HA       VAL  35  -8.348   5.633  -1.712
  248    HB   VAL  35           HB       VAL  35  -9.004   4.385  -4.401
  249   HG11  VAL  35          HG11      VAL  35 -10.435   6.294  -3.915
  250   HG12  VAL  35          HG12      VAL  35  -9.288   6.664  -5.204
  251   HG13  VAL  35          HG13      VAL  35  -9.010   7.279  -3.575
  252   HG21  VAL  35          HG21      VAL  35  -6.716   6.172  -3.594
  253   HG22  VAL  35          HG22      VAL  35  -7.061   5.610  -5.231
  254   HG23  VAL  35          HG23      VAL  35  -6.608   4.453  -3.977
  255    H    ARG  36           HN       ARG  36  -9.941   5.504  -0.186
  256    HA   ARG  36           HA       ARG  36 -11.849   3.454  -0.125
  257    HB2  ARG  36           HB2      ARG  36 -11.028   5.554   1.580
  258    HB3  ARG  36           HB1      ARG  36 -12.774   5.653   1.446
  259    HG2  ARG  36           HG2      ARG  36 -11.170   3.250   2.294
  260    HG3  ARG  36           HG1      ARG  36 -12.158   4.283   3.332
  261    HD2  ARG  36           HD2      ARG  36 -14.159   3.614   2.178
  262    HD3  ARG  36           HD1      ARG  36 -13.207   2.722   0.994
  263    HE   ARG  36           HE       ARG  36 -12.514   1.467   3.234
  264   HH11  ARG  36          HH11      ARG  36 -15.677   2.499   2.156
  265   HH12  ARG  36          HH12      ARG  36 -16.510   1.180   2.904
  266   HH21  ARG  36          HH21      ARG  36 -13.608  -0.304   4.220
  267   HH22  ARG  36          HH22      ARG  36 -15.334  -0.419   4.078
  268    H    GLU  37           HN       GLU  37 -13.843   3.226  -0.813
  269    HA   GLU  37           HA       GLU  37 -14.956   5.084  -2.664
  270    HB2  GLU  37           HB2      GLU  37 -15.265   2.726  -3.027
  271    HB3  GLU  37           HB1      GLU  37 -16.051   2.534  -1.461
  272    HG2  GLU  37           HG2      GLU  37 -17.855   4.066  -2.315
  273    HG3  GLU  37           HG1      GLU  37 -17.091   3.952  -3.900
  274    H    GLU  38           HN       GLU  38 -15.230   6.956  -1.486
  275    HA   GLU  38           HA       GLU  38 -17.817   7.085  -0.162
  276    HB2  GLU  38           HB2      GLU  38 -16.082   6.872   1.656
  277    HB3  GLU  38           HB1      GLU  38 -15.358   8.360   1.069
  278    HG2  GLU  38           HG2      GLU  38 -16.725   8.847   2.972
  279    HG3  GLU  38           HG1      GLU  38 -17.477   9.536   1.533
  280    H    GLY  39           HN       GLY  39 -18.690   8.256  -1.816
  281    HA2  GLY  39           HA2      GLY  39 -18.944   9.894  -3.415
  282    HA3  GLY  39           HA1      GLY  39 -17.918  10.911  -2.406
  283    H    ARG  40           HN       ARG  40 -17.058   7.795  -3.780
  284    HA   ARG  40           HA       ARG  40 -15.296   8.622  -5.777
  285    HB2  ARG  40           HB2      ARG  40 -13.987   9.711  -4.142
  286    HB3  ARG  40           HB1      ARG  40 -14.331   8.492  -2.928
  287    HG2  ARG  40           HG2      ARG  40 -12.899   6.923  -4.091
  288    HG3  ARG  40           HG1      ARG  40 -12.545   8.150  -5.313
  289    HD2  ARG  40           HD2      ARG  40 -11.964   8.375  -2.361
  290    HD3  ARG  40           HD1      ARG  40 -10.775   8.042  -3.621
  291    HE   ARG  40           HE       ARG  40 -11.855  10.353  -4.460
  292   HH11  ARG  40          HH11      ARG  40 -10.505   9.351  -1.394
  293   HH12  ARG  40          HH12      ARG  40 -10.076  10.964  -0.909
  294   HH21  ARG  40          HH21      ARG  40 -11.273  12.474  -3.835
  295   HH22  ARG  40          HH22      ARG  40 -10.484  12.727  -2.301
  296    H    HIS  41           HN       HIS  41 -14.059   6.625  -6.506
  297    HA   HIS  41           HA       HIS  41 -15.392   4.231  -5.418
  298    HB2  HIS  41           HB2      HIS  41 -14.885   3.097  -7.527
  299    HB3  HIS  41           HB1      HIS  41 -15.829   4.554  -7.776
  300    HD1  HIS  41           HD1      HIS  41 -14.697   6.486  -9.068
  301    HD2  HIS  41           HD2      HIS  41 -12.321   3.102  -8.627
  302    HE1  HIS  41           HE1      HIS  41 -12.788   6.780 -10.683
  303    HE2  HIS  41           HE2      HIS  41 -11.516   4.607 -10.570
  304    HA   PRO  42           HA       PRO  42 -11.773   2.765  -3.630
  305    HB2  PRO  42           HB2      PRO  42 -12.171   0.107  -3.583
  306    HB3  PRO  42           HB1      PRO  42 -13.166   1.228  -2.647
  307    HG2  PRO  42           HG2      PRO  42 -13.764  -0.127  -5.239
  308    HG3  PRO  42           HG1      PRO  42 -14.828   0.162  -3.853
  309    HD2  PRO  42           HD2      PRO  42 -14.812   1.699  -6.132
  310    HD3  PRO  42           HD1      PRO  42 -15.351   2.277  -4.544
  311    H    GLN  43           HN       GLN  43  -9.763   2.594  -4.267
  312    HA   GLN  43           HA       GLN  43  -9.108   0.763  -6.471
  313    HB2  GLN  43           HB2      GLN  43  -7.766   3.422  -5.959
  314    HB3  GLN  43           HB1      GLN  43  -7.355   2.279  -7.227
  315    HG2  GLN  43           HG2      GLN  43  -9.721   2.619  -8.086
  316    HG3  GLN  43           HG1      GLN  43  -9.800   3.997  -6.987
  317   HE21  GLN  43          HE21      GLN  43  -9.914   5.552  -8.572
  318   HE22  GLN  43          HE22      GLN  43  -8.597   5.907  -9.644
  319    H    GLU  44           HN       GLU  44  -7.833  -0.784  -5.800
  320    HA   GLU  44           HA       GLU  44  -6.326  -0.495  -3.329
  321    HB2  GLU  44           HB2      GLU  44  -6.719  -2.861  -5.166
  322    HB3  GLU  44           HB1      GLU  44  -5.857  -2.905  -3.636
  323    HG2  GLU  44           HG2      GLU  44  -7.886  -2.349  -2.441
  324    HG3  GLU  44           HG1      GLU  44  -8.766  -2.209  -3.965
  325    H    HIS  45           HN       HIS  45  -4.592   0.849  -3.839
  326    HA   HIS  45           HA       HIS  45  -2.807  -0.064  -5.972
  327    HB2  HIS  45           HB2      HIS  45  -2.635   2.429  -4.255
  328    HB3  HIS  45           HB1      HIS  45  -1.519   2.014  -5.535
  329    HD1  HIS  45           HD1      HIS  45  -2.791   4.642  -5.856
  330    HD2  HIS  45           HD2      HIS  45  -4.642   1.160  -7.188
  331    HE1  HIS  45           HE1      HIS  45  -4.424   5.370  -7.622
  332    HE2  HIS  45           HE2      HIS  45  -5.408   3.236  -8.529
  333    H    ARG  46           HN       ARG  46  -1.261  -1.462  -5.503
  334    HA   ARG  46           HA       ARG  46  -0.379  -1.756  -2.695
  335    HB2  ARG  46           HB2      ARG  46  -0.573  -4.064  -4.598
  336    HB3  ARG  46           HB1      ARG  46  -0.541  -4.085  -2.846
  337    HG2  ARG  46           HG2      ARG  46  -2.795  -3.435  -2.682
  338    HG3  ARG  46           HG1      ARG  46  -2.864  -2.959  -4.383
  339    HD2  ARG  46           HD2      ARG  46  -2.620  -5.246  -5.082
  340    HD3  ARG  46           HD1      ARG  46  -2.371  -5.771  -3.423
  341    HE   ARG  46           HE       ARG  46  -4.806  -4.715  -3.254
  342   HH11  ARG  46          HH11      ARG  46  -3.420  -6.823  -5.672
  343   HH12  ARG  46          HH12      ARG  46  -4.917  -7.629  -6.025
  344   HH21  ARG  46          HH21      ARG  46  -6.785  -5.799  -3.678
  345   HH22  ARG  46          HH22      ARG  46  -6.823  -7.045  -4.894
  346    H    GLY  47           HN       GLY  47   1.815  -2.816  -2.480
  347    HA2  GLY  47           HA2      GLY  47   3.453  -3.815  -4.352
  348    HA3  GLY  47           HA1      GLY  47   3.563  -2.098  -4.713
  349    H    CYS  48           HN       CYS  48   5.773  -1.991  -4.172
  350    HA   CYS  48           HA       CYS  48   6.456  -2.590  -1.400
  351    HB2  CYS  48           HB2      CYS  48   8.765  -2.644  -2.210
  352    HB3  CYS  48           HB1      CYS  48   7.756  -3.745  -3.140
  353    H    GLY  49           HN       GLY  49   6.994  -0.945  -0.046
  354    HA2  GLY  49           HA2      GLY  49   6.694   1.775  -0.903
  355    HA3  GLY  49           HA1      GLY  49   7.259   1.247   0.685
  356    H    ASN  50           HN       ASN  50   9.298  -0.416  -0.588
  357    HA   ASN  50           HA       ASN  50  11.429  -0.448  -1.305
  358    HB2  ASN  50           HB2      ASN  50  10.318   0.665  -3.320
  359    HB3  ASN  50           HB1      ASN  50  10.991   2.176  -2.707
  360   HD21  ASN  50          HD21      ASN  50  11.653  -0.850  -4.224
  361   HD22  ASN  50          HD22      ASN  50  13.328  -0.573  -4.556
  362    H    LEU  51           HN       LEU  51  10.970   3.072  -0.926
  363    HA   LEU  51           HA       LEU  51  12.930   3.003   1.240
  364    HB2  LEU  51           HB2      LEU  51  13.945   5.114   0.085
  365    HB3  LEU  51           HB1      LEU  51  14.455   3.508  -0.381
  366    HG   LEU  51           HG       LEU  51  12.735   3.680  -2.270
  367   HD11  LEU  51          HD11      LEU  51  12.904   6.582  -1.487
  368   HD12  LEU  51          HD12      LEU  51  11.464   5.564  -1.465
  369   HD13  LEU  51          HD13      LEU  51  12.230   5.975  -2.999
  370   HD21  LEU  51          HD21      LEU  51  15.153   3.791  -2.606
  371   HD22  LEU  51          HD22      LEU  51  15.117   5.526  -2.288
  372   HD23  LEU  51          HD23      LEU  51  14.294   4.870  -3.705
  373    H    HIS  52           HN       HIS  52   9.962   3.714   0.611
  374    HA   HIS  52           HA       HIS  52  10.005   6.340   1.936
  375    HB2  HIS  52           HB2      HIS  52   7.950   5.099   0.111
  376    HB3  HIS  52           HB1      HIS  52   7.618   6.525   1.084
  377    HD1  HIS  52           HD1      HIS  52   7.851   6.228  -2.168
  378    HD2  HIS  52           HD2      HIS  52  10.544   8.019   0.443
  379    HE1  HIS  52           HE1      HIS  52   9.111   7.906  -3.548
  380    HE2  HIS  52           HE2      HIS  52  10.653   9.065  -1.922
  381    H    ARG  53           HN       ARG  53   9.044   6.613   3.834
  382    HA   ARG  53           HA       ARG  53   7.992   4.228   5.182
  383    HB2  ARG  53           HB2      ARG  53   9.848   5.239   6.325
  384    HB3  ARG  53           HB1      ARG  53   9.129   6.835   6.206
  385    HG2  ARG  53           HG2      ARG  53   8.900   6.099   8.449
  386    HG3  ARG  53           HG1      ARG  53   7.303   6.048   7.708
  387    HD2  ARG  53           HD2      ARG  53   7.576   4.066   9.011
  388    HD3  ARG  53           HD1      ARG  53   7.640   3.611   7.310
  389    HE   ARG  53           HE       ARG  53   9.982   3.261   7.528
  390   HH11  ARG  53          HH11      ARG  53   8.416   4.055  10.546
  391   HH12  ARG  53          HH12      ARG  53   9.634   3.308  11.536
  392   HH21  ARG  53          HH21      ARG  53  11.607   2.265   8.832
  393   HH22  ARG  53          HH22      ARG  53  11.432   2.272  10.559
  394    H    GLU  54           HN       GLU  54   7.117   7.389   4.059
  395    HA   GLU  54           HA       GLU  54   4.848   7.761   5.749
  396    HB2  GLU  54           HB2      GLU  54   4.248   9.567   4.114
  397    HB3  GLU  54           HB1      GLU  54   5.852   9.710   4.818
  398    HG2  GLU  54           HG2      GLU  54   5.545   8.323   2.205
  399    HG3  GLU  54           HG1      GLU  54   5.447  10.076   2.261
  400    H    LEU  55           HN       LEU  55   5.370   5.712   3.161
  401    HA   LEU  55           HA       LEU  55   2.724   5.732   2.047
  402    HB2  LEU  55           HB2      LEU  55   4.948   3.704   1.810
  403    HB3  LEU  55           HB1      LEU  55   3.463   3.682   0.878
  404    HG   LEU  55           HG       LEU  55   5.587   5.827   0.764
  405   HD11  LEU  55          HD11      LEU  55   4.793   3.701  -1.217
  406   HD12  LEU  55          HD12      LEU  55   6.292   3.760  -0.291
  407   HD13  LEU  55          HD13      LEU  55   5.959   4.993  -1.507
  408   HD21  LEU  55          HD21      LEU  55   3.015   5.522  -0.783
  409   HD22  LEU  55          HD22      LEU  55   4.271   6.713  -1.116
  410   HD23  LEU  55          HD23      LEU  55   3.380   6.774   0.404
  411    H    CYS  56           HN       CYS  56   3.754   4.931   4.966
  412    HA   CYS  56           HA       CYS  56   1.466   3.429   5.613
  413    HB2  CYS  56           HB2      CYS  56   2.803   1.534   4.728
  414    HB3  CYS  56           HB1      CYS  56   4.077   1.914   5.886
  415    H    ARG  57           HN       ARG  57   1.627   5.517   6.707
  416    HA   ARG  57           HA       ARG  57   3.301   5.696   9.023
  417    HB2  ARG  57           HB2      ARG  57   0.737   7.154   8.330
  418    HB3  ARG  57           HB1      ARG  57   1.825   7.577   9.644
  419    HG2  ARG  57           HG2      ARG  57   3.578   8.121   8.066
  420    HG3  ARG  57           HG1      ARG  57   2.558   7.605   6.722
  421    HD2  ARG  57           HD2      ARG  57   2.567  10.035   6.940
  422    HD3  ARG  57           HD1      ARG  57   0.960   9.375   7.244
  423    HE   ARG  57           HE       ARG  57   2.548   9.763   9.619
  424   HH11  ARG  57          HH11      ARG  57   0.362  11.293   7.351
  425   HH12  ARG  57          HH12      ARG  57  -0.211  12.468   8.500
  426   HH21  ARG  57          HH21      ARG  57   1.781  11.303  11.133
  427   HH22  ARG  57          HH22      ARG  57   0.601  12.473  10.642
  428    H    GLY  58           HN       GLY  58   0.692   3.796   8.164
  429    HA2  GLY  58           HA2      GLY  58  -0.424   2.188   9.386
  430    HA3  GLY  58           HA1      GLY  58   0.465   2.718  10.810
  431    H    ARG  59           HN       ARG  59  -2.176   3.745   8.649
  432    HA   ARG  59           HA       ARG  59  -3.623   4.811  10.892
  433    HB2  ARG  59           HB2      ARG  59  -2.507   6.631   8.763
  434    HB3  ARG  59           HB1      ARG  59  -3.919   7.059   9.714
  435    HG2  ARG  59           HG2      ARG  59  -1.109   6.621  10.687
  436    HG3  ARG  59           HG1      ARG  59  -2.044   8.118  10.700
  437    HD2  ARG  59           HD2      ARG  59  -2.444   5.656  12.381
  438    HD3  ARG  59           HD1      ARG  59  -2.076   7.292  12.918
  439    HE   ARG  59           HE       ARG  59  -4.428   7.704  11.795
  440   HH11  ARG  59          HH11      ARG  59  -3.365   5.132  13.901
  441   HH12  ARG  59          HH12      ARG  59  -4.948   4.805  14.541
  442   HH21  ARG  59          HH21      ARG  59  -6.528   7.284  12.596
  443   HH22  ARG  59          HH22      ARG  59  -6.759   6.045  13.801
  444    HA   PRO  60           HA       PRO  60  -6.760   3.654   7.820
  445    HB2  PRO  60           HB2      PRO  60  -8.377   2.934  10.103
  446    HB3  PRO  60           HB1      PRO  60  -7.744   1.877   8.840
  447    HG2  PRO  60           HG2      PRO  60  -6.922   1.802  11.455
  448    HG3  PRO  60           HG1      PRO  60  -5.931   1.267  10.087
  449    HD2  PRO  60           HD2      PRO  60  -5.836   3.845  11.606
  450    HD3  PRO  60           HD1      PRO  60  -4.499   2.860  10.969
  451    H    THR  61           HN       THR  61  -7.039   5.897   7.402
  452    HA   THR  61           HA       THR  61  -7.963   7.608   9.532
  453    HB   THR  61           HB       THR  61  -7.783   9.409   7.762
  454    HG1  THR  61           HG1      THR  61  -6.407   8.620   5.929
  455   HG21  THR  61          HG21      THR  61  -5.318   9.375   7.737
  456   HG22  THR  61          HG22      THR  61  -5.352   7.713   8.327
  457   HG23  THR  61          HG23      THR  61  -5.979   9.020   9.333
  458    H    GLU  62           HN       GLU  62  -9.049   7.454   6.168
  459    HA   GLU  62           HA       GLU  62 -11.817   7.231   6.788
  460    HB2  GLU  62           HB2      GLU  62 -11.442   9.481   7.678
  461    HB3  GLU  62           HB1      GLU  62 -10.718   9.982   6.159
  462    HG2  GLU  62           HG2      GLU  62 -12.976   9.380   5.111
  463    HG3  GLU  62           HG1      GLU  62 -13.587   9.389   6.766
  464    H    PHE  63           HN       PHE  63  -9.360   8.485   4.587
  465    HA   PHE  63           HA       PHE  63 -11.091   7.765   2.315
  466    HB2  PHE  63           HB2      PHE  63  -9.925   9.528   1.039
  467    HB3  PHE  63           HB1      PHE  63 -10.722  10.179   2.466
  468    HD1  PHE  63           HD1      PHE  63  -9.323  10.700   4.500
  469    HD2  PHE  63           HD2      PHE  63  -7.617   9.795   0.705
  470    HE1  PHE  63           HE1      PHE  63  -7.204  11.731   5.208
  471    HE2  PHE  63           HE2      PHE  63  -5.497  10.825   1.409
  472    HZ   PHE  63           HZ       PHE  63  -5.285  11.787   3.664
  473    H    VAL  64           HN       VAL  64  -8.275   7.015   3.960
  474    HA   VAL  64           HA       VAL  64  -7.285   5.462   1.701
  475    HB   VAL  64           HB       VAL  64  -6.036   7.632   1.734
  476   HG11  VAL  64          HG11      VAL  64  -6.016   8.048   4.127
  477   HG12  VAL  64          HG12      VAL  64  -4.372   8.016   3.490
  478   HG13  VAL  64          HG13      VAL  64  -4.998   6.629   4.380
  479   HG21  VAL  64          HG21      VAL  64  -4.418   5.160   2.325
  480   HG22  VAL  64          HG22      VAL  64  -3.805   6.625   1.558
  481   HG23  VAL  64          HG23      VAL  64  -5.038   5.656   0.750
  482    H    ASN  65           HN       ASN  65  -6.040   3.662   2.299
  483    HA   ASN  65           HA       ASN  65  -5.796   3.107   5.164
  484    HB2  ASN  65           HB2      ASN  65  -7.822   1.931   4.183
  485    HB3  ASN  65           HB1      ASN  65  -6.707   1.027   3.157
  486   HD21  ASN  65          HD21      ASN  65  -5.474  -0.609   4.053
  487   HD22  ASN  65          HD22      ASN  65  -5.700  -1.178   5.665
  488    H    HIS  66           HN       HIS  66  -3.633   3.749   4.795
  489    HA   HIS  66           HA       HIS  66  -2.066   2.224   2.897
  490    HB2  HIS  66           HB2      HIS  66  -0.173   3.692   3.846
  491    HB3  HIS  66           HB1      HIS  66  -1.393   4.439   2.840
  492    HD1  HIS  66           HD1      HIS  66  -3.266   5.826   4.182
  493    HD2  HIS  66           HD2      HIS  66   0.223   4.924   6.244
  494    HE1  HIS  66           HE1      HIS  66  -3.263   7.345   6.176
  495    HE2  HIS  66           HE2      HIS  66  -1.013   6.983   7.232
  496    H    TYR  67           HN       TYR  67  -1.606   0.279   3.456
  497    HA   TYR  67           HA       TYR  67  -0.802  -0.322   6.239
  498    HB2  TYR  67           HB2      TYR  67  -2.957  -1.358   5.561
  499    HB3  TYR  67           HB1      TYR  67  -2.144  -2.146   4.210
  500    HD1  TYR  67           HD1      TYR  67  -2.311  -2.022   7.912
  501    HD2  TYR  67           HD2      TYR  67  -1.015  -4.180   4.484
  502    HE1  TYR  67           HE1      TYR  67  -1.789  -3.961   9.336
  503    HE2  TYR  67           HE2      TYR  67  -0.485  -6.117   5.891
  504    HH   TYR  67           HH       TYR  67   0.047  -6.603   8.248
  505    H    CYS  68           HN       CYS  68   1.023  -1.595   6.553
  506    HA   CYS  68           HA       CYS  68   2.496  -2.313   4.118
  507    HB2  CYS  68           HB2      CYS  68   4.575  -1.973   5.649
  508    HB3  CYS  68           HB1      CYS  68   3.797  -0.578   4.914
  509    H    CYS  69           HN       CYS  69   3.217  -4.292   3.935
  510    HA   CYS  69           HA       CYS  69   2.932  -6.132   6.226
  511    HB2  CYS  69           HB2      CYS  69   1.492  -6.518   4.158
  512    HB3  CYS  69           HB1      CYS  69   2.987  -6.861   3.300
  513    H    ASP  70           HN       ASP  70   4.486  -8.112   5.865
  514    HA   ASP  70           HA       ASP  70   7.142  -7.016   5.217
  515    HB2  ASP  70           HB2      ASP  70   8.050  -8.045   7.261
  516    HB3  ASP  70           HB1      ASP  70   6.815  -6.850   7.633
  517    H    SER  71           HN       SER  71   5.679  -8.686   3.534
  518    HA   SER  71           HA       SER  71   7.460 -10.956   3.351
  519    HB2  SER  71           HB2      SER  71   5.492 -11.671   4.820
  520    HB3  SER  71           HB1      SER  71   4.489 -11.483   3.382
  521    HG   SER  71           HG       SER  71   5.395 -13.650   3.853
  522    H    HIS  72           HN       HIS  72   7.607 -11.752   1.236
  523    HA   HIS  72           HA       HIS  72   6.935  -9.886  -0.784
  524    HB2  HIS  72           HB2      HIS  72   8.092 -11.267  -2.284
  525    HB3  HIS  72           HB1      HIS  72   8.887 -11.570  -0.747
  526    HD1  HIS  72           HD1      HIS  72   7.426 -13.271  -3.571
  527    HD2  HIS  72           HD2      HIS  72   7.933 -14.110   0.476
  528    HE1  HIS  72           HE1      HIS  72   7.135 -15.761  -3.349
  529    HE2  HIS  72           HE2      HIS  72   7.669 -16.264  -0.940
  530    H    LEU  73           HN       LEU  73   5.357  -9.920  -2.330
  531    HA   LEU  73           HA       LEU  73   3.314 -10.284  -3.245
  532    HB2  LEU  73           HB2      LEU  73   3.836 -13.172  -2.544
  533    HB3  LEU  73           HB1      LEU  73   2.655 -12.588  -3.700
  534    HG   LEU  73           HG       LEU  73   5.652 -12.541  -3.933
  535   HD11  LEU  73          HD11      LEU  73   5.208 -13.791  -5.993
  536   HD12  LEU  73          HD12      LEU  73   3.481 -13.744  -5.640
  537   HD13  LEU  73          HD13      LEU  73   4.576 -14.618  -4.569
  538   HD21  LEU  73          HD21      LEU  73   5.346 -11.343  -6.066
  539   HD22  LEU  73          HD22      LEU  73   4.869 -10.374  -4.672
  540   HD23  LEU  73          HD23      LEU  73   3.636 -11.130  -5.683
  541    H    CYS  74           HN       CYS  74   3.358  -9.540  -0.536
  542    HA   CYS  74           HA       CYS  74   1.283 -11.080   0.804
  543    HB2  CYS  74           HB2      CYS  74   3.182 -10.180   2.123
  544    HB3  CYS  74           HB1      CYS  74   2.700  -8.546   1.681
  545    H    ASN  75           HN       ASN  75   1.760  -8.104  -0.950
  546    HA   ASN  75           HA       ASN  75  -0.961  -7.221  -0.535
  547    HB2  ASN  75           HB2      ASN  75   1.128  -6.251  -2.489
  548    HB3  ASN  75           HB1      ASN  75  -0.450  -5.517  -2.260
  549   HD21  ASN  75          HD21      ASN  75  -0.153  -6.164   0.705
  550   HD22  ASN  75          HD22      ASN  75   0.844  -4.881   1.288
  551    H    HIS  76           HN       HIS  76   0.213  -9.766  -2.014
  552    HA   HIS  76           HA       HIS  76  -1.302  -9.586  -4.469
  553    HB2  HIS  76           HB2      HIS  76   0.746 -10.805  -4.633
  554    HB3  HIS  76           HB1      HIS  76   0.342 -11.801  -3.239
  555    HD1  HIS  76           HD1      HIS  76  -0.748 -11.251  -6.837
  556    HD2  HIS  76           HD2      HIS  76  -0.959 -14.126  -3.839
  557    HE1  HIS  76           HE1      HIS  76  -1.707 -13.301  -7.928
  558    HE2  HIS  76           HE2      HIS  76  -1.954 -14.982  -6.071
  559    H    ASN  77           HN       ASN  77  -1.715 -10.352  -1.243
  560    HA   ASN  77           HA       ASN  77  -4.463 -11.137  -1.650
  561    HB2  ASN  77           HB2      ASN  77  -3.102 -13.270  -1.715
  562    HB3  ASN  77           HB1      ASN  77  -2.620 -12.937  -0.058
  563   HD21  ASN  77          HD21      ASN  77  -3.967 -13.450   1.573
  564   HD22  ASN  77          HD22      ASN  77  -5.521 -14.179   1.352
  565    H    VAL  78           HN       VAL  78  -4.132  -8.861  -0.754
  566    HA   VAL  78           HA       VAL  78  -3.832  -8.881   2.179
  567    HB   VAL  78           HB       VAL  78  -2.238  -7.380   1.114
  568   HG11  VAL  78          HG11      VAL  78  -3.369  -7.031  -1.001
  569   HG12  VAL  78          HG12      VAL  78  -2.984  -5.480  -0.256
  570   HG13  VAL  78          HG13      VAL  78  -4.633  -6.101  -0.195
  571   HG21  VAL  78          HG21      VAL  78  -4.487  -5.830   2.381
  572   HG22  VAL  78          HG22      VAL  78  -2.842  -5.241   2.146
  573   HG23  VAL  78          HG23      VAL  78  -3.145  -6.605   3.220
  574    H    SER  79           HN       SER  79  -5.439  -7.938   3.454
  575    HA   SER  79           HA       SER  79  -8.016  -7.594   2.188
  576    HB2  SER  79           HB2      SER  79  -7.317  -7.178   5.096
  577    HB3  SER  79           HB1      SER  79  -8.909  -7.465   4.390
  578    HG   SER  79           HG       SER  79  -8.477  -9.556   4.200
  579    H    LEU  80           HN       LEU  80  -7.608  -5.716   0.934
  580    HA   LEU  80           HA       LEU  80  -6.964  -3.275   2.393
  581    HB2  LEU  80           HB2      LEU  80  -6.507  -4.199  -0.215
  582    HB3  LEU  80           HB1      LEU  80  -7.629  -2.860  -0.371
  583    HG   LEU  80           HG       LEU  80  -4.833  -2.849   0.717
  584   HD11  LEU  80          HD11      LEU  80  -6.262  -1.170  -1.331
  585   HD12  LEU  80          HD12      LEU  80  -5.099  -2.457  -1.657
  586   HD13  LEU  80          HD13      LEU  80  -4.580  -0.980  -0.842
  587   HD21  LEU  80          HD21      LEU  80  -6.947  -0.753   1.167
  588   HD22  LEU  80          HD22      LEU  80  -5.220  -0.506   1.419
  589   HD23  LEU  80          HD23      LEU  80  -6.093  -1.685   2.396
  590    H    VAL  81           HN       VAL  81  -8.932  -3.371   3.621
  591    HA   VAL  81           HA       VAL  81 -11.277  -2.459   2.085
  592    HB   VAL  81           HB       VAL  81 -12.718  -3.808   3.603
  593   HG11  VAL  81          HG11      VAL  81 -12.191  -4.595   1.358
  594   HG12  VAL  81          HG12      VAL  81 -12.319  -5.947   2.484
  595   HG13  VAL  81          HG13      VAL  81 -10.731  -5.377   1.968
  596   HG21  VAL  81          HG21      VAL  81 -10.118  -5.106   4.408
  597   HG22  VAL  81          HG22      VAL  81 -11.733  -5.654   4.858
  598   HG23  VAL  81          HG23      VAL  81 -11.133  -4.103   5.443
  599    H    LEU  82           HN       LEU  82  -9.156  -1.359   4.083
  600    HA   LEU  82           HA       LEU  82  -9.015   0.111   5.816
  601    HB2  LEU  82           HB2      LEU  82 -10.878   1.262   4.561
  602    HB3  LEU  82           HB1      LEU  82 -12.019   0.395   5.568
  603    HG   LEU  82           HG       LEU  82 -10.991   1.520   7.566
  604   HD11  LEU  82          HD11      LEU  82  -9.638   3.511   7.191
  605   HD12  LEU  82          HD12      LEU  82  -9.636   3.196   5.457
  606   HD13  LEU  82          HD13      LEU  82  -8.829   2.076   6.555
  607   HD21  LEU  82          HD21      LEU  82 -12.122   3.644   7.183
  608   HD22  LEU  82          HD22      LEU  82 -13.077   2.300   6.558
  609   HD23  LEU  82          HD23      LEU  82 -12.160   3.320   5.451
  610    H    GLU  83           HN       GLU  83  -9.781  -2.776   5.961
  611    HA   GLU  83           HA       GLU  83 -10.331  -4.420   7.388
  612    HB2  GLU  83           HB2      GLU  83  -8.436  -3.328   8.604
  613    HB3  GLU  83           HB1      GLU  83  -9.622  -2.420   9.537
  614    HG2  GLU  83           HG2      GLU  83 -10.564  -4.515  10.395
  615    HG3  GLU  83           HG1      GLU  83  -9.367  -5.423   9.477
  616    H    ALA  84           HN       ALA  84 -12.534  -4.248   6.670
  617    HA   ALA  84           HA       ALA  84 -14.455  -4.260   8.673
  618    HB1  ALA  84           HB1      ALA  84 -15.731  -2.223   8.215
  619    HB2  ALA  84           HB2      ALA  84 -14.529  -1.710   7.030
  620    HB3  ALA  84           HB3      ALA  84 -14.099  -1.805   8.738
  621    H    THR  85           HN       THR  85 -16.739  -3.555   7.264
  622    HA   THR  85           HA       THR  85 -17.026  -5.831   5.630
  623    HB   THR  85           HB       THR  85 -18.929  -3.488   5.747
  624    HG1  THR  85           HG1      THR  85 -19.839  -5.005   7.484
  625   HG21  THR  85          HG21      THR  85 -20.631  -5.218   5.369
  626   HG22  THR  85          HG22      THR  85 -19.368  -6.446   5.291
  627   HG23  THR  85          HG23      THR  85 -19.449  -5.186   4.060
  628    H    GLN  86           HN       GLN  86 -15.711  -5.800   3.908
  629    HA   GLN  86           HA       GLN  86 -16.812  -4.667   1.548
  630    HB2  GLN  86           HB2      GLN  86 -15.149  -2.867   2.580
  631    HB3  GLN  86           HB1      GLN  86 -13.920  -3.932   1.913
  632    HG2  GLN  86           HG2      GLN  86 -15.136  -3.739  -0.295
  633    HG3  GLN  86           HG1      GLN  86 -16.073  -2.440   0.441
  634   HE21  GLN  86          HE21      GLN  86 -12.689  -3.117   1.028
  635   HE22  GLN  86          HE22      GLN  86 -12.076  -1.673   0.307
  636    HA   PRO  87           HA       PRO  87 -15.297  -8.667   0.325
  637    HB2  PRO  87           HB2      PRO  87 -14.731  -8.112  -2.347
  638    HB3  PRO  87           HB1      PRO  87 -16.300  -8.616  -1.712
  639    HG2  PRO  87           HG2      PRO  87 -15.309  -5.880  -2.369
  640    HG3  PRO  87           HG1      PRO  87 -16.925  -6.574  -2.595
  641    HD2  PRO  87           HD2      PRO  87 -16.407  -4.870  -0.596
  642    HD3  PRO  87           HD1      PRO  87 -17.509  -6.246  -0.376
  643    HA   PRO  88           HA       PRO  88 -10.909  -7.573   0.510
  644    HB2  PRO  88           HB2      PRO  88 -10.358  -9.282   2.576
  645    HB3  PRO  88           HB1      PRO  88 -11.026  -7.663   2.788
  646    HG2  PRO  88           HG2      PRO  88 -12.304 -10.212   3.272
  647    HG3  PRO  88           HG1      PRO  88 -12.927  -8.590   3.606
  648    HD2  PRO  88           HD2      PRO  88 -13.467 -10.380   1.355
  649    HD3  PRO  88           HD1      PRO  88 -14.398  -8.990   1.952
  650    H    SER  89           HN       SER  89  -9.019  -8.576  -0.172
  651    HA   SER  89           HA       SER  89  -9.203 -10.961  -1.683
  652    HB2  SER  89           HB2      SER  89  -6.693  -9.641  -0.623
  653    HB3  SER  89           HB1      SER  89  -6.808 -10.746  -1.995
  654    HG   SER  89           HG       SER  89  -7.919  -8.131  -1.785
  655    H    GLU  90           HN       GLU  90  -7.490 -10.306   1.394
  656    HA   GLU  90           HA       GLU  90  -7.585 -13.172   1.992
  657    HB2  GLU  90           HB2      GLU  90  -5.429 -11.975   2.291
  658    HB3  GLU  90           HB1      GLU  90  -6.190 -10.938   3.490
  659    HG2  GLU  90           HG2      GLU  90  -6.507 -12.768   4.983
  660    HG3  GLU  90           HG1      GLU  90  -6.022 -13.928   3.747
  661    H    GLN  91           HN       GLN  91  -8.429 -13.908   4.027
  662    HA   GLN  91           HA       GLN  91 -10.283 -12.007   5.297
  663    HB2  GLN  91           HB2      GLN  91 -11.734 -14.014   5.813
  664    HB3  GLN  91           HB1      GLN  91 -11.693 -13.511   4.130
  665    HG2  GLN  91           HG2      GLN  91 -10.206 -15.322   3.578
  666    HG3  GLN  91           HG1      GLN  91 -10.074 -15.778   5.277
  667   HE21  GLN  91          HE21      GLN  91 -12.109 -15.740   2.467
  668   HE22  GLN  91          HE22      GLN  91 -13.276 -16.876   3.046
  669    HA   PRO  92           HA       PRO  92  -7.685 -13.152   8.784
  670    HB2  PRO  92           HB2      PRO  92  -9.007 -10.998  10.199
  671    HB3  PRO  92           HB1      PRO  92  -7.341 -11.076   9.624
  672    HG2  PRO  92           HG2      PRO  92  -9.219  -9.387   8.586
  673    HG3  PRO  92           HG1      PRO  92  -7.831  -9.998   7.667
  674    HD2  PRO  92           HD2      PRO  92 -10.680 -10.920   7.637
  675    HD3  PRO  92           HD1      PRO  92  -9.541 -10.725   6.286
  676    H    GLY  93           HN       GLY  93  -9.867 -14.715   8.351
  677    HA2  GLY  93           HA2      GLY  93 -11.360 -16.093   9.484
  678    HA3  GLY  93           HA1      GLY  93 -10.940 -15.243  10.965
  679    H    THR  94           HN       THR  94 -11.653 -12.663  10.371
  680    HA   THR  94           HA       THR  94 -14.492 -12.701  10.513
  681    HB   THR  94           HB       THR  94 -14.250 -10.248  10.689
  682    HG1  THR  94           HG1      THR  94 -11.640  -9.920  10.787
  683   HG21  THR  94          HG21      THR  94 -13.903 -11.564  12.696
  684   HG22  THR  94          HG22      THR  94 -12.798 -10.189  12.678
  685   HG23  THR  94          HG23      THR  94 -12.207 -11.801  12.273
  686    H    ASP  95           HN       ASP  95 -15.077 -10.300   9.006
  687    HA   ASP  95           HA       ASP  95 -14.479 -10.865   6.243
  688    HB2  ASP  95           HB2      ASP  95 -16.354 -12.452   6.827
  689    HB3  ASP  95           HB1      ASP  95 -17.352 -11.048   7.186
  690    H    GLY  96           HN       GLY  96 -16.769  -9.253   8.412
  691    HA2  GLY  96           HA2      GLY  96 -15.756  -6.673   7.641
  692    HA3  GLY  96           HA1      GLY  96 -17.394  -6.988   7.079
  693    H    GLN  97           HN       GLN  97 -15.588  -5.752   9.580
  694    HA   GLN  97           HA       GLN  97 -17.377  -6.445  11.718
  695    HB2  GLN  97           HB2      GLN  97 -16.039  -4.746  13.021
  696    HB3  GLN  97           HB1      GLN  97 -15.124  -6.100  12.381
  697    HG2  GLN  97           HG2      GLN  97 -14.222  -4.736  10.627
  698    HG3  GLN  97           HG1      GLN  97 -15.264  -3.388  11.082
  699   HE21  GLN  97          HE21      GLN  97 -13.533  -2.013  11.421
  700   HE22  GLN  97          HE22      GLN  97 -12.468  -2.170  12.776
  Start of MODEL    9
    1    H    ASP   1           HN       ASP   1  23.362  12.113   4.301
    2    HA   ASP   1           HA       ASP   1  22.251  10.642   5.617
    3    HB2  ASP   1           HB2      ASP   1  19.782  11.430   4.050
    4    HB3  ASP   1           HB1      ASP   1  19.814  10.624   5.612
    5    HA   PRO   2           HA       PRO   2  21.775   6.816   3.325
    6    HB2  PRO   2           HB2      PRO   2  19.975   5.733   5.342
    7    HB3  PRO   2           HB1      PRO   2  21.650   5.291   5.004
    8    HG2  PRO   2           HG2      PRO   2  20.899   6.566   7.278
    9    HG3  PRO   2           HG1      PRO   2  22.491   6.787   6.531
   10    HD2  PRO   2           HD2      PRO   2  20.064   8.543   6.371
   11    HD3  PRO   2           HD1      PRO   2  21.767   8.999   6.600
   12    H    VAL   3           HN       VAL   3  20.281   5.693   2.023
   13    HA   VAL   3           HA       VAL   3  17.885   7.158   1.416
   14    HB   VAL   3           HB       VAL   3  17.540   5.043  -0.143
   15   HG11  VAL   3          HG11      VAL   3  18.912   6.203  -1.857
   16   HG12  VAL   3          HG12      VAL   3  19.567   7.233  -0.583
   17   HG13  VAL   3          HG13      VAL   3  17.843   7.282  -0.960
   18   HG21  VAL   3          HG21      VAL   3  19.684   4.113  -0.871
   19   HG22  VAL   3          HG22      VAL   3  19.365   3.741   0.822
   20   HG23  VAL   3          HG23      VAL   3  20.510   5.015   0.399
   21    H    LYS   4           HN       LYS   4  17.020   6.832   3.600
   22    HA   LYS   4           HA       LYS   4  15.212   6.136   4.782
   23    HB2  LYS   4           HB2      LYS   4  14.624   5.316   2.201
   24    HB3  LYS   4           HB1      LYS   4  14.415   3.848   3.151
   25    HG2  LYS   4           HG2      LYS   4  12.324   5.026   2.958
   26    HG3  LYS   4           HG1      LYS   4  12.873   5.056   4.635
   27    HD2  LYS   4           HD2      LYS   4  12.022   7.242   4.011
   28    HD3  LYS   4           HD1      LYS   4  13.766   7.331   4.275
   29    HE2  LYS   4           HE2      LYS   4  14.058   7.074   1.798
   30    HE3  LYS   4           HE1      LYS   4  12.310   7.231   1.637
   31    HZ1  LYS   4           HZ1      LYS   4  13.410   9.335   1.259
   32    HZ2  LYS   4           HZ2      LYS   4  14.146   9.264   2.784
   33    HZ3  LYS   4           HZ3      LYS   4  12.463   9.429   2.665
   34    HA   PRO   5           HA       PRO   5  16.750   2.537   7.017
   35    HB2  PRO   5           HB2      PRO   5  14.404   2.849   8.718
   36    HB3  PRO   5           HB1      PRO   5  16.104   3.091   9.127
   37    HG2  PRO   5           HG2      PRO   5  14.326   5.134   8.979
   38    HG3  PRO   5           HG1      PRO   5  16.049   5.328   8.608
   39    HD2  PRO   5           HD2      PRO   5  13.732   5.004   6.736
   40    HD3  PRO   5           HD1      PRO   5  15.129   6.096   6.619
   41    H    SER   6           HN       SER   6  15.212   2.232   4.646
   42    HA   SER   6           HA       SER   6  13.474  -0.002   5.334
   43    HB2  SER   6           HB2      SER   6  12.655   2.183   3.435
   44    HB3  SER   6           HB1      SER   6  11.692   0.784   3.911
   45    HG   SER   6           HG       SER   6  12.208   1.792   6.158
   46    H    ARG   7           HN       ARG   7  14.824   1.820   2.650
   47    HA   ARG   7           HA       ARG   7  14.873  -0.193   0.767
   48    HB2  ARG   7           HB2      ARG   7  15.384   2.128   0.185
   49    HB3  ARG   7           HB1      ARG   7  16.903   2.020   1.070
   50    HG2  ARG   7           HG2      ARG   7  17.678   0.278  -0.476
   51    HG3  ARG   7           HG1      ARG   7  16.172   0.429  -1.381
   52    HD2  ARG   7           HD2      ARG   7  16.704   2.697  -1.979
   53    HD3  ARG   7           HD1      ARG   7  18.128   2.679  -0.932
   54    HE   ARG   7           HE       ARG   7  18.246   0.611  -2.891
   55   HH11  ARG   7          HH11      ARG   7  18.685   4.051  -2.459
   56   HH12  ARG   7          HH12      ARG   7  19.822   4.213  -3.760
   57   HH21  ARG   7          HH21      ARG   7  19.756   0.805  -4.609
   58   HH22  ARG   7          HH22      ARG   7  20.449   2.359  -4.963
   59    H    GLY   8           HN       GLY   8  15.351  -2.032   2.114
   60    HA2  GLY   8           HA2      GLY   8  18.196  -2.696   1.791
   61    HA3  GLY   8           HA1      GLY   8  17.391  -3.060   3.312
   62    HA   PRO   9           HA       PRO   9  16.091  -6.921   1.627
   63    HB2  PRO   9           HB2      PRO   9  13.524  -6.801   3.000
   64    HB3  PRO   9           HB1      PRO   9  14.925  -7.817   3.346
   65    HG2  PRO   9           HG2      PRO   9  14.128  -5.799   4.976
   66    HG3  PRO   9           HG1      PRO   9  15.818  -6.312   4.827
   67    HD2  PRO   9           HD2      PRO   9  14.426  -3.972   3.577
   68    HD3  PRO   9           HD1      PRO   9  16.052  -4.068   4.287
   69    H    LEU  10           HN       LEU  10  15.803  -6.332  -0.527
   70    HA   LEU  10           HA       LEU  10  13.563  -5.112  -1.630
   71    HB2  LEU  10           HB2      LEU  10  15.370  -7.170  -2.881
   72    HB3  LEU  10           HB1      LEU  10  14.202  -6.191  -3.750
   73    HG   LEU  10           HG       LEU  10  16.589  -5.121  -2.237
   74   HD11  LEU  10          HD11      LEU  10  17.455  -4.576  -4.471
   75   HD12  LEU  10          HD12      LEU  10  16.090  -5.425  -5.195
   76   HD13  LEU  10          HD13      LEU  10  17.271  -6.313  -4.231
   77   HD21  LEU  10          HD21      LEU  10  16.010  -2.986  -3.286
   78   HD22  LEU  10          HD22      LEU  10  14.711  -3.561  -2.242
   79   HD23  LEU  10          HD23      LEU  10  14.571  -3.721  -3.992
   80    H    VAL  11           HN       VAL  11  11.657  -5.787  -0.920
   81    HA   VAL  11           HA       VAL  11  10.805  -8.539  -1.411
   82    HB   VAL  11           HB       VAL  11   9.495  -6.283   0.123
   83   HG11  VAL  11          HG11      VAL  11   8.492  -9.073  -0.373
   84   HG12  VAL  11          HG12      VAL  11   7.772  -7.569  -0.951
   85   HG13  VAL  11          HG13      VAL  11   7.793  -7.930   0.775
   86   HG21  VAL  11          HG21      VAL  11   9.792  -7.784   2.058
   87   HG22  VAL  11          HG22      VAL  11  11.318  -7.263   1.342
   88   HG23  VAL  11          HG23      VAL  11  10.703  -8.886   1.027
   89    H    THR  12           HN       THR  12   9.869  -8.894  -3.356
   90    HA   THR  12           HA       THR  12   8.678  -6.729  -4.829
   91    HB   THR  12           HB       THR  12   8.751  -9.695  -5.358
   92    HG1  THR  12           HG1      THR  12  10.604  -9.152  -6.192
   93   HG21  THR  12          HG21      THR  12   7.766  -9.218  -7.542
   94   HG22  THR  12          HG22      THR  12   7.599  -7.519  -7.096
   95   HG23  THR  12          HG23      THR  12   6.668  -8.750  -6.238
   96    H    CYS  13           HN       CYS  13   6.620  -6.203  -4.965
   97    HA   CYS  13           HA       CYS  13   4.595  -7.992  -3.833
   98    HB2  CYS  13           HB2      CYS  13   4.693  -4.999  -3.372
   99    HB3  CYS  13           HB1      CYS  13   3.483  -6.112  -2.750
  100    H    THR  14           HN       THR  14   2.597  -7.879  -4.904
  101    HA   THR  14           HA       THR  14   2.355  -7.191  -7.550
  102    HB   THR  14           HB       THR  14   0.226  -7.086  -5.392
  103    HG1  THR  14           HG1      THR  14   1.085  -9.133  -7.185
  104   HG21  THR  14          HG21      THR  14  -0.114  -7.237  -8.394
  105   HG22  THR  14          HG22      THR  14  -0.569  -5.871  -7.368
  106   HG23  THR  14          HG23      THR  14  -1.407  -7.419  -7.208
  107    H    CYS  15           HN       CYS  15   1.830  -5.280  -8.680
  108    HA   CYS  15           HA       CYS  15   1.688  -2.895  -6.972
  109    HB2  CYS  15           HB2      CYS  15   3.681  -2.391  -7.925
  110    HB3  CYS  15           HB1      CYS  15   3.450  -3.464  -9.252
  111    H    GLU  16           HN       GLU  16   0.009  -1.554  -7.358
  112    HA   GLU  16           HA       GLU  16  -1.179  -1.572 -10.023
  113    HB2  GLU  16           HB2      GLU  16  -2.531  -3.089  -8.614
  114    HB3  GLU  16           HB1      GLU  16  -2.719  -1.804  -7.425
  115    HG2  GLU  16           HG2      GLU  16  -4.725  -2.042  -8.767
  116    HG3  GLU  16           HG1      GLU  16  -3.981  -0.465  -9.005
  117    H    SER  17           HN       SER  17  -0.164   0.401 -10.372
  118    HA   SER  17           HA       SER  17   0.154   2.662 -10.385
  119    HB2  SER  17           HB2      SER  17  -2.596   2.209  -9.801
  120    HB3  SER  17           HB1      SER  17  -2.009   3.601  -8.882
  121    HG   SER  17           HG       SER  17  -2.270   3.246 -11.646
  122    HA   PRO  18           HA       PRO  18   0.709   3.109  -5.688
  123    HB2  PRO  18           HB2      PRO  18   2.426   0.973  -5.068
  124    HB3  PRO  18           HB1      PRO  18   0.662   0.943  -4.923
  125    HG2  PRO  18           HG2      PRO  18   2.239  -0.590  -6.652
  126    HG3  PRO  18           HG1      PRO  18   0.484  -0.357  -6.770
  127    HD2  PRO  18           HD2      PRO  18   2.694   1.135  -8.141
  128    HD3  PRO  18           HD1      PRO  18   1.154   0.517  -8.813
  129    H    HIS  19           HN       HIS  19   3.553   1.374  -6.679
  130    HA   HIS  19           HA       HIS  19   5.263   3.727  -6.260
  131    HB2  HIS  19           HB2      HIS  19   6.319   0.983  -5.760
  132    HB3  HIS  19           HB1      HIS  19   6.682   2.493  -4.922
  133    HD1  HIS  19           HD1      HIS  19   4.275  -0.350  -4.950
  134    HD2  HIS  19           HD2      HIS  19   4.956   3.088  -2.792
  135    HE1  HIS  19           HE1      HIS  19   2.694  -0.458  -3.015
  136    HE2  HIS  19           HE2      HIS  19   3.374   1.479  -1.549
  137    H    CYS  20           HN       CYS  20   3.888   1.934  -8.451
  138    HA   CYS  20           HA       CYS  20   6.132   1.894 -10.293
  139    HB2  CYS  20           HB2      CYS  20   6.459  -0.342 -10.246
  140    HB3  CYS  20           HB1      CYS  20   5.334  -0.433  -8.915
  141    H    LYS  21           HN       LYS  21   5.207   1.230 -12.533
  142    HA   LYS  21           HA       LYS  21   2.977   2.990 -12.843
  143    HB2  LYS  21           HB2      LYS  21   4.573   1.417 -14.847
  144    HB3  LYS  21           HB1      LYS  21   3.255   2.491 -15.287
  145    HG2  LYS  21           HG2      LYS  21   5.734   3.343 -13.805
  146    HG3  LYS  21           HG1      LYS  21   5.494   3.504 -15.544
  147    HD2  LYS  21           HD2      LYS  21   4.939   5.613 -14.728
  148    HD3  LYS  21           HD1      LYS  21   3.371   4.829 -14.903
  149    HE2  LYS  21           HE2      LYS  21   3.359   4.306 -12.514
  150    HE3  LYS  21           HE1      LYS  21   4.945   5.055 -12.337
  151    HZ1  LYS  21           HZ1      LYS  21   3.232   6.569 -11.638
  152    HZ2  LYS  21           HZ2      LYS  21   2.427   6.432 -13.122
  153    HZ3  LYS  21           HZ3      LYS  21   3.952   7.164 -13.051
  154    H    GLY  22           HN       GLY  22   3.103  -0.340 -12.151
  155    HA2  GLY  22           HA2      GLY  22   0.373  -0.731 -12.425
  156    HA3  GLY  22           HA1      GLY  22   1.037  -1.049 -14.011
  157    HA   PRO  23           HA       PRO  23   2.134  -5.072 -12.878
  158    HB2  PRO  23           HB2      PRO  23   4.766  -5.524 -13.211
  159    HB3  PRO  23           HB1      PRO  23   3.639  -5.229 -14.527
  160    HG2  PRO  23           HG2      PRO  23   5.556  -3.338 -13.232
  161    HG3  PRO  23           HG1      PRO  23   5.163  -3.524 -14.951
  162    HD2  PRO  23           HD2      PRO  23   4.103  -1.545 -13.359
  163    HD3  PRO  23           HD1      PRO  23   3.293  -2.214 -14.791
  164    H    THR  24           HN       THR  24   5.344  -4.425 -11.690
  165    HA   THR  24           HA       THR  24   4.561  -5.089  -8.968
  166    HB   THR  24           HB       THR  24   6.326  -6.966  -8.997
  167    HG1  THR  24           HG1      THR  24   5.723  -7.610 -11.593
  168   HG21  THR  24          HG21      THR  24   3.715  -7.391 -10.461
  169   HG22  THR  24          HG22      THR  24   3.935  -7.396  -8.708
  170   HG23  THR  24          HG23      THR  24   4.687  -8.650  -9.693
  171    H    CYS  25           HN       CYS  25   6.257  -4.712  -7.443
  172    HA   CYS  25           HA       CYS  25   8.870  -3.976  -8.531
  173    HB2  CYS  25           HB2      CYS  25   8.932  -1.904  -7.298
  174    HB3  CYS  25           HB1      CYS  25   7.484  -1.912  -8.293
  175    H    ARG  26           HN       ARG  26  10.564  -4.143  -7.060
  176    HA   ARG  26           HA       ARG  26   9.924  -5.504  -4.538
  177    HB2  ARG  26           HB2      ARG  26  12.268  -6.370  -4.586
  178    HB3  ARG  26           HB1      ARG  26  11.225  -7.007  -5.845
  179    HG2  ARG  26           HG2      ARG  26  12.236  -5.506  -7.465
  180    HG3  ARG  26           HG1      ARG  26  13.265  -4.822  -6.199
  181    HD2  ARG  26           HD2      ARG  26  14.126  -7.155  -5.801
  182    HD3  ARG  26           HD1      ARG  26  13.270  -7.637  -7.264
  183    HE   ARG  26           HE       ARG  26  14.851  -5.489  -7.986
  184   HH11  ARG  26          HH11      ARG  26  15.346  -8.679  -6.621
  185   HH12  ARG  26          HH12      ARG  26  16.912  -8.884  -7.345
  186   HH21  ARG  26          HH21      ARG  26  16.923  -5.767  -8.943
  187   HH22  ARG  26          HH22      ARG  26  17.800  -7.247  -8.656
  188    H    GLY  27           HN       GLY  27  10.307  -4.453  -2.761
  189    HA2  GLY  27           HA2      GLY  27  12.090  -2.111  -2.890
  190    HA3  GLY  27           HA1      GLY  27  10.472  -1.969  -2.245
  191    H    ALA  28           HN       ALA  28  10.027  -2.640  -0.240
  192    HA   ALA  28           HA       ALA  28  12.267  -3.654   1.397
  193    HB1  ALA  28           HB1      ALA  28  11.705  -2.101   3.185
  194    HB2  ALA  28           HB2      ALA  28  10.421  -1.401   2.196
  195    HB3  ALA  28           HB3      ALA  28  12.112  -1.218   1.715
  196    H    TRP  29           HN       TRP  29   8.916  -3.162   0.872
  197    HA   TRP  29           HA       TRP  29   8.020  -5.535   2.030
  198    HB2  TRP  29           HB2      TRP  29   6.748  -4.516   3.933
  199    HB3  TRP  29           HB1      TRP  29   8.487  -4.517   4.171
  200    HD1  TRP  29           HD1      TRP  29   6.998  -1.779   1.979
  201    HE1  TRP  29           HE1      TRP  29   7.146   0.457   3.220
  202    HE3  TRP  29           HE3      TRP  29   8.521  -3.481   6.550
  203    HZ2  TRP  29           HZ2      TRP  29   7.833   1.396   5.789
  204    HZ3  TRP  29           HZ3      TRP  29   8.906  -1.843   8.344
  205    HH2  TRP  29           HH2      TRP  29   8.570   0.547   7.970
  206    H    CYS  30           HN       CYS  30   5.509  -5.292   2.315
  207    HA   CYS  30           HA       CYS  30   4.659  -4.043  -0.173
  208    HB2  CYS  30           HB2      CYS  30   3.170  -5.911   1.680
  209    HB3  CYS  30           HB1      CYS  30   2.571  -5.322   0.136
  210    H    THR  31           HN       THR  31   3.444  -2.258  -0.266
  211    HA   THR  31           HA       THR  31   2.017  -1.418   2.164
  212    HB   THR  31           HB       THR  31   2.345   0.984   1.289
  213    HG1  THR  31           HG1      THR  31   4.583  -0.264   0.036
  214   HG21  THR  31          HG21      THR  31   4.715  -0.509   2.427
  215   HG22  THR  31          HG22      THR  31   3.385   0.192   3.349
  216   HG23  THR  31          HG23      THR  31   4.492   1.240   2.462
  217    H    VAL  32           HN       VAL  32  -0.083  -1.336   1.797
  218    HA   VAL  32           HA       VAL  32  -0.984  -0.924  -0.978
  219    HB   VAL  32           HB       VAL  32  -3.051  -2.082  -0.391
  220   HG11  VAL  32          HG11      VAL  32  -0.588  -3.644   0.351
  221   HG12  VAL  32          HG12      VAL  32  -1.210  -3.390  -1.278
  222   HG13  VAL  32          HG13      VAL  32  -2.140  -4.337  -0.118
  223   HG21  VAL  32          HG21      VAL  32  -1.799  -2.583   2.301
  224   HG22  VAL  32          HG22      VAL  32  -3.337  -3.231   1.717
  225   HG23  VAL  32          HG23      VAL  32  -3.152  -1.497   1.976
  226    H    VAL  33           HN       VAL  33  -2.809   0.447  -1.307
  227    HA   VAL  33           HA       VAL  33  -3.752   2.058   0.865
  228    HB   VAL  33           HB       VAL  33  -2.907   3.982  -1.063
  229   HG11  VAL  33          HG11      VAL  33  -1.931   5.023   0.898
  230   HG12  VAL  33          HG12      VAL  33  -2.104   3.518   1.802
  231   HG13  VAL  33          HG13      VAL  33  -3.538   4.389   1.249
  232   HG21  VAL  33          HG21      VAL  33  -0.635   2.348   0.076
  233   HG22  VAL  33          HG22      VAL  33  -0.473   3.909  -0.728
  234   HG23  VAL  33          HG23      VAL  33  -1.052   2.507  -1.631
  235    H    LEU  34           HN       LEU  34  -5.827   2.069   0.450
  236    HA   LEU  34           HA       LEU  34  -6.799   2.411  -2.269
  237    HB2  LEU  34           HB2      LEU  34  -7.971   0.757  -0.998
  238    HB3  LEU  34           HB1      LEU  34  -8.170   1.855   0.353
  239    HG   LEU  34           HG       LEU  34  -9.635   3.270  -1.159
  240   HD11  LEU  34          HD11      LEU  34  -8.881   2.345  -3.289
  241   HD12  LEU  34          HD12      LEU  34 -10.625   2.173  -3.086
  242   HD13  LEU  34          HD13      LEU  34  -9.568   0.780  -2.855
  243   HD21  LEU  34          HD21      LEU  34 -10.533   0.464  -0.529
  244   HD22  LEU  34          HD22      LEU  34 -11.581   1.858  -0.808
  245   HD23  LEU  34          HD23      LEU  34 -10.510   1.822   0.595
  246    H    VAL  35           HN       VAL  35  -6.873   4.420  -2.983
  247    HA   VAL  35           HA       VAL  35  -7.169   6.627  -1.113
  248    HB   VAL  35           HB       VAL  35  -6.901   6.706  -4.127
  249   HG11  VAL  35          HG11      VAL  35  -7.889   8.728  -3.225
  250   HG12  VAL  35          HG12      VAL  35  -6.242   9.046  -3.772
  251   HG13  VAL  35          HG13      VAL  35  -6.583   8.868  -2.051
  252   HG21  VAL  35          HG21      VAL  35  -4.941   5.668  -3.153
  253   HG22  VAL  35          HG22      VAL  35  -4.789   6.987  -1.993
  254   HG23  VAL  35          HG23      VAL  35  -4.544   7.295  -3.711
  255    H    ARG  36           HN       ARG  36  -9.216   6.803  -0.398
  256    HA   ARG  36           HA       ARG  36 -11.555   6.179  -1.832
  257    HB2  ARG  36           HB2      ARG  36 -11.142   6.677   0.732
  258    HB3  ARG  36           HB1      ARG  36 -11.520   8.326   0.244
  259    HG2  ARG  36           HG2      ARG  36 -13.430   7.052   1.169
  260    HG3  ARG  36           HG1      ARG  36 -13.696   7.748  -0.425
  261    HD2  ARG  36           HD2      ARG  36 -13.021   5.457  -1.342
  262    HD3  ARG  36           HD1      ARG  36 -13.225   4.874   0.313
  263    HE   ARG  36           HE       ARG  36 -15.364   6.140  -1.290
  264   HH11  ARG  36          HH11      ARG  36 -14.307   3.819   1.111
  265   HH12  ARG  36          HH12      ARG  36 -15.920   3.320   1.515
  266   HH21  ARG  36          HH21      ARG  36 -17.477   5.449  -0.789
  267   HH22  ARG  36          HH22      ARG  36 -17.711   4.218   0.413
  268    H    GLU  37           HN       GLU  37 -13.279   7.924  -2.332
  269    HA   GLU  37           HA       GLU  37 -12.090   9.548  -4.323
  270    HB2  GLU  37           HB2      GLU  37 -14.331  10.265  -4.885
  271    HB3  GLU  37           HB1      GLU  37 -14.190   8.527  -4.818
  272    HG2  GLU  37           HG2      GLU  37 -15.340  10.180  -2.589
  273    HG3  GLU  37           HG1      GLU  37 -16.310   9.529  -3.907
  274    H    GLU  38           HN       GLU  38 -10.741  10.788  -2.929
  275    HA   GLU  38           HA       GLU  38 -12.115  13.267  -2.132
  276    HB2  GLU  38           HB2      GLU  38 -10.804  12.254  -0.312
  277    HB3  GLU  38           HB1      GLU  38  -9.377  12.240  -1.335
  278    HG2  GLU  38           HG2      GLU  38  -9.357  14.053   0.315
  279    HG3  GLU  38           HG1      GLU  38  -9.295  14.642  -1.344
  280    H    GLY  39           HN       GLY  39 -12.275  13.596  -4.460
  281    HA2  GLY  39           HA2      GLY  39 -11.438  15.211  -6.027
  282    HA3  GLY  39           HA1      GLY  39  -9.805  14.769  -5.548
  283    H    ARG  40           HN       ARG  40 -10.794  11.857  -5.618
  284    HA   ARG  40           HA       ARG  40 -11.249  11.327  -8.370
  285    HB2  ARG  40           HB2      ARG  40  -8.854  11.823  -8.377
  286    HB3  ARG  40           HB1      ARG  40  -8.602  10.674  -7.068
  287    HG2  ARG  40           HG2      ARG  40  -7.952   9.685  -9.134
  288    HG3  ARG  40           HG1      ARG  40  -9.401   8.896  -8.508
  289    HD2  ARG  40           HD2      ARG  40  -9.437   9.367 -10.975
  290    HD3  ARG  40           HD1      ARG  40 -10.797  10.015 -10.054
  291    HE   ARG  40           HE       ARG  40  -8.688  11.925 -10.311
  292   HH11  ARG  40          HH11      ARG  40 -11.303  10.443 -12.114
  293   HH12  ARG  40          HH12      ARG  40 -11.639  11.867 -13.050
  294   HH21  ARG  40          HH21      ARG  40  -9.126  13.800 -11.549
  295   HH22  ARG  40          HH22      ARG  40 -10.388  13.766 -12.750
  296    H    HIS  41           HN       HIS  41 -12.025   9.254  -8.627
  297    HA   HIS  41           HA       HIS  41 -13.320   8.035  -6.527
  298    HB2  HIS  41           HB2      HIS  41 -13.881   6.293  -8.045
  299    HB3  HIS  41           HB1      HIS  41 -13.732   7.771  -8.991
  300    HD1  HIS  41           HD1      HIS  41 -12.439   4.340  -8.720
  301    HD2  HIS  41           HD2      HIS  41 -11.330   7.878 -10.600
  302    HE1  HIS  41           HE1      HIS  41 -10.719   3.685 -10.430
  303    HE2  HIS  41           HE2      HIS  41 -10.243   5.809 -11.711
  304    HA   PRO  42           HA       PRO  42 -10.729   5.397  -4.136
  305    HB2  PRO  42           HB2      PRO  42 -12.139   2.988  -4.432
  306    HB3  PRO  42           HB1      PRO  42 -12.391   4.203  -3.176
  307    HG2  PRO  42           HG2      PRO  42 -13.880   3.760  -5.715
  308    HG3  PRO  42           HG1      PRO  42 -14.477   4.313  -4.139
  309    HD2  PRO  42           HD2      PRO  42 -14.152   6.014  -6.176
  310    HD3  PRO  42           HD1      PRO  42 -13.791   6.497  -4.505
  311    H    GLN  43           HN       GLN  43  -8.870   4.507  -4.608
  312    HA   GLN  43           HA       GLN  43  -8.623   2.635  -6.865
  313    HB2  GLN  43           HB2      GLN  43  -6.691   4.884  -6.258
  314    HB3  GLN  43           HB1      GLN  43  -6.548   3.712  -7.558
  315    HG2  GLN  43           HG2      GLN  43  -8.154   4.718  -8.833
  316    HG3  GLN  43           HG1      GLN  43  -8.968   5.431  -7.439
  317   HE21  GLN  43          HE21      GLN  43  -8.194   7.319  -6.556
  318   HE22  GLN  43          HE22      GLN  43  -7.059   8.333  -7.379
  319    H    GLU  44           HN       GLU  44  -7.590   0.812  -6.246
  320    HA   GLU  44           HA       GLU  44  -6.223   0.734  -3.667
  321    HB2  GLU  44           HB2      GLU  44  -6.873  -1.411  -5.689
  322    HB3  GLU  44           HB1      GLU  44  -5.950  -1.707  -4.224
  323    HG2  GLU  44           HG2      GLU  44  -7.946  -0.792  -2.961
  324    HG3  GLU  44           HG1      GLU  44  -8.830  -0.930  -4.483
  325    H    HIS  45           HN       HIS  45  -4.242   1.705  -3.833
  326    HA   HIS  45           HA       HIS  45  -2.510   0.780  -6.022
  327    HB2  HIS  45           HB2      HIS  45  -1.962   3.032  -4.082
  328    HB3  HIS  45           HB1      HIS  45  -1.027   2.627  -5.501
  329    HD1  HIS  45           HD1      HIS  45  -2.533   5.376  -4.772
  330    HD2  HIS  45           HD2      HIS  45  -3.693   2.508  -7.549
  331    HE1  HIS  45           HE1      HIS  45  -3.967   6.593  -6.444
  332    HE2  HIS  45           HE2      HIS  45  -4.415   4.894  -8.249
  333    H    ARG  46           HN       ARG  46  -1.654  -1.096  -5.448
  334    HA   ARG  46           HA       ARG  46  -0.599  -1.403  -2.708
  335    HB2  ARG  46           HB2      ARG  46  -0.972  -3.872  -3.116
  336    HB3  ARG  46           HB1      ARG  46  -2.439  -2.910  -3.003
  337    HG2  ARG  46           HG2      ARG  46  -2.651  -2.923  -5.426
  338    HG3  ARG  46           HG1      ARG  46  -1.143  -3.827  -5.564
  339    HD2  ARG  46           HD2      ARG  46  -2.903  -5.396  -5.790
  340    HD3  ARG  46           HD1      ARG  46  -2.219  -5.633  -4.186
  341    HE   ARG  46           HE       ARG  46  -4.440  -3.856  -4.108
  342   HH11  ARG  46          HH11      ARG  46  -3.585  -7.245  -4.319
  343   HH12  ARG  46          HH12      ARG  46  -5.107  -7.800  -3.690
  344   HH21  ARG  46          HH21      ARG  46  -6.463  -4.600  -3.259
  345   HH22  ARG  46          HH22      ARG  46  -6.713  -6.316  -3.101
  346    H    GLY  47           HN       GLY  47   1.531  -2.160  -2.471
  347    HA2  GLY  47           HA2      GLY  47   2.948  -3.696  -4.362
  348    HA3  GLY  47           HA1      GLY  47   3.276  -2.013  -4.741
  349    H    CYS  48           HN       CYS  48   5.480  -2.308  -4.277
  350    HA   CYS  48           HA       CYS  48   6.268  -3.006  -1.557
  351    HB2  CYS  48           HB2      CYS  48   8.484  -3.106  -2.439
  352    HB3  CYS  48           HB1      CYS  48   7.435  -3.909  -3.595
  353    H    GLY  49           HN       GLY  49   6.815  -1.464  -0.061
  354    HA2  GLY  49           HA2      GLY  49   6.310   1.298  -0.826
  355    HA3  GLY  49           HA1      GLY  49   6.565   0.699   0.808
  356    H    ASN  50           HN       ASN  50   8.987  -0.358   0.823
  357    HA   ASN  50           HA       ASN  50  11.085   0.258   1.311
  358    HB2  ASN  50           HB2      ASN  50  12.532   0.850  -0.603
  359    HB3  ASN  50           HB1      ASN  50  11.536  -0.568  -0.870
  360   HD21  ASN  50          HD21      ASN  50   9.910  -0.497  -2.428
  361   HD22  ASN  50          HD22      ASN  50   9.817   0.750  -3.614
  362    H    LEU  51           HN       LEU  51  11.358   2.877  -0.934
  363    HA   LEU  51           HA       LEU  51  12.270   4.567   1.147
  364    HB2  LEU  51           HB2      LEU  51  11.544   5.330  -1.682
  365    HB3  LEU  51           HB1      LEU  51  12.541   6.251  -0.578
  366    HG   LEU  51           HG       LEU  51  13.276   3.532  -1.654
  367   HD11  LEU  51          HD11      LEU  51  14.853   4.721  -3.079
  368   HD12  LEU  51          HD12      LEU  51  14.247   6.265  -2.479
  369   HD13  LEU  51          HD13      LEU  51  13.197   5.216  -3.432
  370   HD21  LEU  51          HD21      LEU  51  15.497   4.099  -0.786
  371   HD22  LEU  51          HD22      LEU  51  14.289   4.032   0.498
  372   HD23  LEU  51          HD23      LEU  51  14.845   5.592  -0.110
  373    H    HIS  52           HN       HIS  52   9.152   3.921  -0.075
  374    HA   HIS  52           HA       HIS  52   8.115   6.492   0.847
  375    HB2  HIS  52           HB2      HIS  52   6.800   4.211  -0.626
  376    HB3  HIS  52           HB1      HIS  52   5.901   5.583   0.008
  377    HD1  HIS  52           HD1      HIS  52   5.935   7.743  -1.344
  378    HD2  HIS  52           HD2      HIS  52   8.538   4.824  -2.782
  379    HE1  HIS  52           HE1      HIS  52   6.691   8.544  -3.607
  380    HE2  HIS  52           HE2      HIS  52   8.053   6.643  -4.541
  381    H    ARG  53           HN       ARG  53   8.937   5.602   3.070
  382    HA   ARG  53           HA       ARG  53   7.127   3.962   4.534
  383    HB2  ARG  53           HB2      ARG  53   9.478   4.809   5.236
  384    HB3  ARG  53           HB1      ARG  53   8.660   6.286   5.717
  385    HG2  ARG  53           HG2      ARG  53   7.813   3.604   6.762
  386    HG3  ARG  53           HG1      ARG  53   9.112   4.527   7.511
  387    HD2  ARG  53           HD2      ARG  53   6.333   5.596   7.068
  388    HD3  ARG  53           HD1      ARG  53   6.858   4.822   8.561
  389    HE   ARG  53           HE       ARG  53   8.645   6.668   8.534
  390   HH11  ARG  53          HH11      ARG  53   5.402   7.058   7.287
  391   HH12  ARG  53          HH12      ARG  53   5.320   8.756   7.660
  392   HH21  ARG  53          HH21      ARG  53   8.553   8.866   9.040
  393   HH22  ARG  53          HH22      ARG  53   7.120   9.792   8.689
  394    H    GLU  54           HN       GLU  54   7.173   7.176   3.390
  395    HA   GLU  54           HA       GLU  54   5.133   8.529   4.557
  396    HB2  GLU  54           HB2      GLU  54   6.143   9.639   2.815
  397    HB3  GLU  54           HB1      GLU  54   6.157   8.221   1.782
  398    HG2  GLU  54           HG2      GLU  54   3.596   8.571   1.687
  399    HG3  GLU  54           HG1      GLU  54   3.982  10.204   2.236
  400    H    LEU  55           HN       LEU  55   4.840   5.857   2.235
  401    HA   LEU  55           HA       LEU  55   1.986   6.114   2.095
  402    HB2  LEU  55           HB2      LEU  55   3.870   4.057   0.963
  403    HB3  LEU  55           HB1      LEU  55   2.136   4.041   0.700
  404    HG   LEU  55           HG       LEU  55   4.060   6.191  -0.188
  405   HD11  LEU  55          HD11      LEU  55   2.386   4.247  -1.766
  406   HD12  LEU  55          HD12      LEU  55   4.128   4.138  -1.518
  407   HD13  LEU  55          HD13      LEU  55   3.452   5.488  -2.428
  408   HD21  LEU  55          HD21      LEU  55   1.067   6.022  -0.523
  409   HD22  LEU  55          HD22      LEU  55   2.121   7.222  -1.272
  410   HD23  LEU  55          HD23      LEU  55   1.937   7.179   0.483
  411    H    CYS  56           HN       CYS  56   3.614   5.167   4.628
  412    HA   CYS  56           HA       CYS  56   1.801   2.944   5.256
  413    HB2  CYS  56           HB2      CYS  56   4.420   3.834   6.374
  414    HB3  CYS  56           HB1      CYS  56   3.295   3.013   7.450
  415    H    ARG  57           HN       ARG  57   1.888   6.218   5.439
  416    HA   ARG  57           HA       ARG  57  -0.423   6.403   7.025
  417    HB2  ARG  57           HB2      ARG  57   0.499   7.701   8.943
  418    HB3  ARG  57           HB1      ARG  57   0.943   6.002   8.945
  419    HG2  ARG  57           HG2      ARG  57   3.150   6.621   8.015
  420    HG3  ARG  57           HG1      ARG  57   2.694   8.322   8.149
  421    HD2  ARG  57           HD2      ARG  57   4.048   7.566  10.061
  422    HD3  ARG  57           HD1      ARG  57   2.435   8.090  10.553
  423    HE   ARG  57           HE       ARG  57   3.054   5.239  10.137
  424   HH11  ARG  57          HH11      ARG  57   2.035   7.853  12.223
  425   HH12  ARG  57          HH12      ARG  57   1.371   6.798  13.437
  426   HH21  ARG  57          HH21      ARG  57   2.160   3.847  11.704
  427   HH22  ARG  57          HH22      ARG  57   1.410   4.515  13.128
  428    H    GLY  58           HN       GLY  58  -1.481   8.081   6.297
  429    HA2  GLY  58           HA2      GLY  58   0.043  10.456   5.403
  430    HA3  GLY  58           HA1      GLY  58  -1.440   9.916   4.622
  431    H    ARG  59           HN       ARG  59  -3.106   9.386   6.585
  432    HA   ARG  59           HA       ARG  59  -3.095  11.654   8.453
  433    HB2  ARG  59           HB2      ARG  59  -5.451  10.559   6.887
  434    HB3  ARG  59           HB1      ARG  59  -5.624  11.619   8.277
  435    HG2  ARG  59           HG2      ARG  59  -4.297  13.338   7.055
  436    HG3  ARG  59           HG1      ARG  59  -4.319  12.281   5.643
  437    HD2  ARG  59           HD2      ARG  59  -6.071  14.004   5.533
  438    HD3  ARG  59           HD1      ARG  59  -6.747  12.375   5.576
  439    HE   ARG  59           HE       ARG  59  -6.538  13.532   8.185
  440   HH11  ARG  59          HH11      ARG  59  -8.511  13.638   5.277
  441   HH12  ARG  59          HH12      ARG  59  -9.978  13.978   6.146
  442   HH21  ARG  59          HH21      ARG  59  -8.466  13.984   9.308
  443   HH22  ARG  59          HH22      ARG  59  -9.946  14.197   8.423
  444    HA   PRO  60           HA       PRO  60  -3.866   8.479  11.508
  445    HB2  PRO  60           HB2      PRO  60  -6.046  10.009  12.744
  446    HB3  PRO  60           HB1      PRO  60  -4.459   9.595  13.400
  447    HG2  PRO  60           HG2      PRO  60  -5.093  12.114  12.695
  448    HG3  PRO  60           HG1      PRO  60  -3.453  11.467  12.500
  449    HD2  PRO  60           HD2      PRO  60  -5.607  11.824  10.447
  450    HD3  PRO  60           HD1      PRO  60  -3.866  12.166  10.326
  451    H    THR  61           HN       THR  61  -5.274   8.176   9.073
  452    HA   THR  61           HA       THR  61  -6.836   6.888   8.105
  453    HB   THR  61           HB       THR  61  -8.036   6.117  10.743
  454    HG1  THR  61           HG1      THR  61  -6.399   4.488  10.871
  455   HG21  THR  61          HG21      THR  61  -8.315   3.964   9.551
  456   HG22  THR  61          HG22      THR  61  -7.578   4.696   8.124
  457   HG23  THR  61          HG23      THR  61  -9.116   5.305   8.733
  458    H    GLU  62           HN       GLU  62  -9.007   6.944   7.495
  459    HA   GLU  62           HA       GLU  62 -11.079   8.431   8.506
  460    HB2  GLU  62           HB2      GLU  62  -9.367  10.314   8.426
  461    HB3  GLU  62           HB1      GLU  62  -9.408  10.166   6.674
  462    HG2  GLU  62           HG2      GLU  62 -10.825  11.973   7.376
  463    HG3  GLU  62           HG1      GLU  62 -11.814  10.671   6.713
  464    H    PHE  63           HN       PHE  63  -9.130   8.007   5.606
  465    HA   PHE  63           HA       PHE  63 -11.260   6.765   4.152
  466    HB2  PHE  63           HB2      PHE  63 -11.411   8.398   2.375
  467    HB3  PHE  63           HB1      PHE  63 -11.737   9.228   3.895
  468    HD1  PHE  63           HD1      PHE  63  -9.392  10.050   5.060
  469    HD2  PHE  63           HD2      PHE  63 -10.133   9.623   0.889
  470    HE1  PHE  63           HE1      PHE  63  -7.586  11.643   4.591
  471    HE2  PHE  63           HE2      PHE  63  -8.331  11.232   0.407
  472    HZ   PHE  63           HZ       PHE  63  -7.057  12.244   2.258
  473    H    VAL  64           HN       VAL  64  -8.324   6.676   5.100
  474    HA   VAL  64           HA       VAL  64  -7.063   6.023   2.546
  475    HB   VAL  64           HB       VAL  64  -4.895   6.724   3.847
  476   HG11  VAL  64          HG11      VAL  64  -4.996   8.936   2.841
  477   HG12  VAL  64          HG12      VAL  64  -6.743   8.778   2.649
  478   HG13  VAL  64          HG13      VAL  64  -5.656   7.717   1.752
  479   HG21  VAL  64          HG21      VAL  64  -5.996   7.233   5.961
  480   HG22  VAL  64          HG22      VAL  64  -6.962   8.475   5.165
  481   HG23  VAL  64          HG23      VAL  64  -5.213   8.666   5.296
  482    H    ASN  65           HN       ASN  65  -5.840   4.186   2.551
  483    HA   ASN  65           HA       ASN  65  -5.926   2.631   5.051
  484    HB2  ASN  65           HB2      ASN  65  -6.211   1.455   2.282
  485    HB3  ASN  65           HB1      ASN  65  -6.490   0.659   3.823
  486   HD21  ASN  65          HD21      ASN  65  -8.230   0.966   1.510
  487   HD22  ASN  65          HD22      ASN  65  -9.647   1.776   2.094
  488    H    HIS  66           HN       HIS  66  -3.704   3.988   4.784
  489    HA   HIS  66           HA       HIS  66  -1.693   2.803   3.151
  490    HB2  HIS  66           HB2      HIS  66  -1.546   4.521   5.621
  491    HB3  HIS  66           HB1      HIS  66  -0.122   4.010   4.736
  492    HD1  HIS  66           HD1      HIS  66  -2.875   6.476   4.773
  493    HD2  HIS  66           HD2      HIS  66   0.221   5.345   2.243
  494    HE1  HIS  66           HE1      HIS  66  -2.695   8.311   3.063
  495    HE2  HIS  66           HE2      HIS  66  -0.956   7.506   1.428
  496    H    TYR  67           HN       TYR  67  -1.690   0.576   3.469
  497    HA   TYR  67           HA       TYR  67  -1.124  -0.351   6.214
  498    HB2  TYR  67           HB2      TYR  67  -3.273  -1.152   5.195
  499    HB3  TYR  67           HB1      TYR  67  -2.325  -1.961   3.950
  500    HD1  TYR  67           HD1      TYR  67  -3.014  -1.886   7.587
  501    HD2  TYR  67           HD2      TYR  67  -1.316  -4.056   4.350
  502    HE1  TYR  67           HE1      TYR  67  -2.816  -3.862   9.023
  503    HE2  TYR  67           HE2      TYR  67  -1.106  -6.042   5.782
  504    HH   TYR  67           HH       TYR  67  -0.969  -6.581   8.188
  505    H    CYS  68           HN       CYS  68   0.689  -1.520   6.598
  506    HA   CYS  68           HA       CYS  68   2.357  -2.175   4.261
  507    HB2  CYS  68           HB2      CYS  68   3.740  -1.975   6.840
  508    HB3  CYS  68           HB1      CYS  68   4.155  -1.266   5.284
  509    H    CYS  69           HN       CYS  69   3.264  -4.175   4.122
  510    HA   CYS  69           HA       CYS  69   2.818  -6.078   6.335
  511    HB2  CYS  69           HB2      CYS  69   1.310  -6.577   4.376
  512    HB3  CYS  69           HB1      CYS  69   2.756  -6.748   3.387
  513    H    ASP  70           HN       ASP  70   4.399  -8.019   5.961
  514    HA   ASP  70           HA       ASP  70   6.973  -6.980   4.991
  515    HB2  ASP  70           HB2      ASP  70   6.797  -6.537   7.443
  516    HB3  ASP  70           HB1      ASP  70   6.628  -8.269   7.708
  517    H    SER  71           HN       SER  71   5.994  -8.555   3.351
  518    HA   SER  71           HA       SER  71   7.609 -10.893   3.399
  519    HB2  SER  71           HB2      SER  71   4.595 -11.264   3.448
  520    HB3  SER  71           HB1      SER  71   5.757 -12.529   3.061
  521    HG   SER  71           HG       SER  71   6.305 -11.265   5.430
  522    H    HIS  72           HN       HIS  72   7.669 -11.904   1.310
  523    HA   HIS  72           HA       HIS  72   7.374 -10.077  -0.835
  524    HB2  HIS  72           HB2      HIS  72   7.801 -13.081  -0.978
  525    HB3  HIS  72           HB1      HIS  72   8.131 -11.916  -2.253
  526    HD1  HIS  72           HD1      HIS  72   9.555 -13.359   0.860
  527    HD2  HIS  72           HD2      HIS  72  10.442 -10.356  -1.871
  528    HE1  HIS  72           HE1      HIS  72  11.949 -12.728   1.304
  529    HE2  HIS  72           HE2      HIS  72  12.382 -10.750  -0.193
  530    H    LEU  73           HN       LEU  73   5.712  -9.783  -2.209
  531    HA   LEU  73           HA       LEU  73   3.654  -9.949  -3.177
  532    HB2  LEU  73           HB2      LEU  73   3.985 -12.925  -2.806
  533    HB3  LEU  73           HB1      LEU  73   3.009 -12.107  -4.013
  534    HG   LEU  73           HG       LEU  73   6.021 -12.141  -3.871
  535   HD11  LEU  73          HD11      LEU  73   5.034 -14.226  -4.660
  536   HD12  LEU  73          HD12      LEU  73   5.888 -13.379  -5.949
  537   HD13  LEU  73          HD13      LEU  73   4.125 -13.336  -5.882
  538   HD21  LEU  73          HD21      LEU  73   5.905 -10.926  -6.022
  539   HD22  LEU  73          HD22      LEU  73   5.303  -9.991  -4.652
  540   HD23  LEU  73          HD23      LEU  73   4.166 -10.730  -5.783
  541    H    CYS  74           HN       CYS  74   3.541  -9.379  -0.517
  542    HA   CYS  74           HA       CYS  74   1.665 -11.212   0.772
  543    HB2  CYS  74           HB2      CYS  74   3.404 -10.356   2.221
  544    HB3  CYS  74           HB1      CYS  74   3.008  -8.694   1.785
  545    H    ASN  75           HN       ASN  75   1.823  -8.063  -0.674
  546    HA   ASN  75           HA       ASN  75  -0.808  -7.255   0.149
  547    HB2  ASN  75           HB2      ASN  75  -0.421  -5.310  -1.213
  548    HB3  ASN  75           HB1      ASN  75   1.088  -5.669  -0.375
  549   HD21  ASN  75          HD21      ASN  75   0.413  -4.305  -2.905
  550   HD22  ASN  75          HD22      ASN  75   1.418  -5.050  -4.101
  551    H    HIS  76           HN       HIS  76   0.295  -9.495  -2.047
  552    HA   HIS  76           HA       HIS  76  -1.199  -8.959  -4.333
  553    HB2  HIS  76           HB2      HIS  76   0.623 -10.536  -4.388
  554    HB3  HIS  76           HB1      HIS  76  -0.172 -11.564  -3.202
  555    HD1  HIS  76           HD1      HIS  76  -1.102 -13.579  -4.243
  556    HD2  HIS  76           HD2      HIS  76  -1.260 -10.313  -6.816
  557    HE1  HIS  76           HE1      HIS  76  -2.131 -14.441  -6.371
  558    HE2  HIS  76           HE2      HIS  76  -2.443 -12.395  -7.803
  559    H    ASN  77           HN       ASN  77  -2.043 -10.385  -1.302
  560    HA   ASN  77           HA       ASN  77  -4.781 -10.879  -2.275
  561    HB2  ASN  77           HB2      ASN  77  -4.893 -12.806  -0.717
  562    HB3  ASN  77           HB1      ASN  77  -3.663 -13.024  -1.957
  563   HD21  ASN  77          HD21      ASN  77  -4.280 -12.561   1.408
  564   HD22  ASN  77          HD22      ASN  77  -2.661 -12.830   1.959
  565    H    VAL  78           HN       VAL  78  -3.584  -8.554  -0.935
  566    HA   VAL  78           HA       VAL  78  -4.318  -8.586   1.828
  567    HB   VAL  78           HB       VAL  78  -2.571  -7.102   0.809
  568   HG11  VAL  78          HG11      VAL  78  -3.312  -4.983  -0.206
  569   HG12  VAL  78          HG12      VAL  78  -4.969  -5.583  -0.193
  570   HG13  VAL  78          HG13      VAL  78  -3.748  -6.392  -1.174
  571   HG21  VAL  78          HG21      VAL  78  -4.727  -5.754   2.419
  572   HG22  VAL  78          HG22      VAL  78  -3.096  -5.125   2.187
  573   HG23  VAL  78          HG23      VAL  78  -3.342  -6.648   3.047
  574    H    SER  79           HN       SER  79  -5.973  -7.253   2.800
  575    HA   SER  79           HA       SER  79  -8.084  -6.327   1.006
  576    HB2  SER  79           HB2      SER  79  -8.641  -7.882   3.532
  577    HB3  SER  79           HB1      SER  79  -9.824  -7.293   2.366
  578    HG   SER  79           HG       SER  79  -8.497  -8.645   0.821
  579    H    LEU  80           HN       LEU  80  -7.244  -4.331   1.367
  580    HA   LEU  80           HA       LEU  80  -7.292  -3.216   4.069
  581    HB2  LEU  80           HB2      LEU  80  -5.820  -1.604   3.332
  582    HB3  LEU  80           HB1      LEU  80  -5.360  -2.980   2.346
  583    HG   LEU  80           HG       LEU  80  -7.184  -0.755   1.408
  584   HD11  LEU  80          HD11      LEU  80  -5.339   0.075   0.132
  585   HD12  LEU  80          HD12      LEU  80  -4.292  -1.212   0.730
  586   HD13  LEU  80          HD13      LEU  80  -4.894   0.024   1.837
  587   HD21  LEU  80          HD21      LEU  80  -5.914  -3.085  -0.003
  588   HD22  LEU  80          HD22      LEU  80  -6.607  -1.696  -0.839
  589   HD23  LEU  80          HD23      LEU  80  -7.634  -2.719   0.164
  590    H    VAL  81           HN       VAL  81  -9.229  -3.588   1.503
  591    HA   VAL  81           HA       VAL  81 -10.029  -1.042   0.732
  592    HB   VAL  81           HB       VAL  81 -11.897  -3.372   0.569
  593   HG11  VAL  81          HG11      VAL  81 -12.388  -2.427  -1.629
  594   HG12  VAL  81          HG12      VAL  81 -11.194  -1.160  -1.349
  595   HG13  VAL  81          HG13      VAL  81 -12.637  -1.251  -0.340
  596   HG21  VAL  81          HG21      VAL  81  -9.338  -3.037  -0.985
  597   HG22  VAL  81          HG22      VAL  81 -10.670  -4.065  -1.507
  598   HG23  VAL  81          HG23      VAL  81  -9.833  -4.413   0.002
  599    H    LEU  82           HN       LEU  82 -10.539   0.265   2.523
  600    HA   LEU  82           HA       LEU  82 -12.788  -0.195   4.180
  601    HB2  LEU  82           HB2      LEU  82 -11.572   2.383   3.186
  602    HB3  LEU  82           HB1      LEU  82 -12.929   2.329   4.289
  603    HG   LEU  82           HG       LEU  82 -10.093   1.467   4.808
  604   HD11  LEU  82          HD11      LEU  82 -10.194   3.149   6.540
  605   HD12  LEU  82          HD12      LEU  82 -11.896   3.451   6.194
  606   HD13  LEU  82          HD13      LEU  82 -10.667   3.865   4.997
  607   HD21  LEU  82          HD21      LEU  82 -12.515   1.029   6.557
  608   HD22  LEU  82          HD22      LEU  82 -10.838   0.748   7.027
  609   HD23  LEU  82          HD23      LEU  82 -11.572  -0.226   5.753
  610    H    GLU  83           HN       GLU  83 -14.407  -1.067   2.947
  611    HA   GLU  83           HA       GLU  83 -15.935   0.677   1.247
  612    HB2  GLU  83           HB2      GLU  83 -13.978  -0.151  -0.151
  613    HB3  GLU  83           HB1      GLU  83 -14.619  -1.778   0.055
  614    HG2  GLU  83           HG2      GLU  83 -15.179  -0.715  -2.113
  615    HG3  GLU  83           HG1      GLU  83 -16.574  -1.265  -1.192
  616    H    ALA  84           HN       ALA  84 -17.768  -0.829   0.190
  617    HA   ALA  84           HA       ALA  84 -18.508  -2.834   2.215
  618    HB1  ALA  84           HB1      ALA  84 -20.322  -1.058   0.586
  619    HB2  ALA  84           HB2      ALA  84 -20.006  -0.929   2.317
  620    HB3  ALA  84           HB3      ALA  84 -20.852  -2.339   1.676
  621    H    THR  85           HN       THR  85 -18.484  -4.811   1.468
  622    HA   THR  85           HA       THR  85 -18.673  -6.625   0.147
  623    HB   THR  85           HB       THR  85 -20.075  -4.795  -1.814
  624    HG1  THR  85           HG1      THR  85 -20.945  -6.402   0.368
  625   HG21  THR  85          HG21      THR  85 -19.246  -6.835  -2.888
  626   HG22  THR  85          HG22      THR  85 -21.004  -6.867  -2.751
  627   HG23  THR  85          HG23      THR  85 -20.015  -7.815  -1.640
  628    H    GLN  86           HN       GLN  86 -16.670  -7.125  -0.275
  629    HA   GLN  86           HA       GLN  86 -15.534  -6.553  -2.844
  630    HB2  GLN  86           HB2      GLN  86 -13.372  -5.682  -1.875
  631    HB3  GLN  86           HB1      GLN  86 -14.722  -4.562  -1.766
  632    HG2  GLN  86           HG2      GLN  86 -13.754  -4.356   0.306
  633    HG3  GLN  86           HG1      GLN  86 -15.021  -5.538   0.613
  634   HE21  GLN  86          HE21      GLN  86 -14.030  -6.435   2.372
  635   HE22  GLN  86          HE22      GLN  86 -12.586  -7.381   2.261
  636    HA   PRO  87           HA       PRO  87 -14.017 -10.610  -2.008
  637    HB2  PRO  87           HB2      PRO  87 -11.777 -10.722  -3.548
  638    HB3  PRO  87           HB1      PRO  87 -13.412 -10.787  -4.212
  639    HG2  PRO  87           HG2      PRO  87 -11.511  -8.488  -4.067
  640    HG3  PRO  87           HG1      PRO  87 -12.609  -8.957  -5.377
  641    HD2  PRO  87           HD2      PRO  87 -13.149  -6.946  -3.619
  642    HD3  PRO  87           HD1      PRO  87 -14.409  -7.912  -4.410
  643    HA   PRO  88           HA       PRO  88 -10.904  -9.453   1.068
  644    HB2  PRO  88           HB2      PRO  88 -12.206 -10.803   3.115
  645    HB3  PRO  88           HB1      PRO  88 -12.499  -9.122   2.655
  646    HG2  PRO  88           HG2      PRO  88 -14.289 -11.334   2.394
  647    HG3  PRO  88           HG1      PRO  88 -14.549  -9.669   1.845
  648    HD2  PRO  88           HD2      PRO  88 -13.663 -12.051   0.343
  649    HD3  PRO  88           HD1      PRO  88 -14.551 -10.614  -0.211
  650    H    SER  89           HN       SER  89  -9.076 -10.590   0.782
  651    HA   SER  89           HA       SER  89  -9.169 -13.506   1.061
  652    HB2  SER  89           HB2      SER  89  -8.199 -12.566  -1.041
  653    HB3  SER  89           HB1      SER  89  -6.938 -11.799  -0.076
  654    HG   SER  89           HG       SER  89  -7.458 -14.597  -0.163
  655    H    GLU  90           HN       GLU  90  -7.285 -10.660   2.125
  656    HA   GLU  90           HA       GLU  90  -6.074 -12.246   4.227
  657    HB2  GLU  90           HB2      GLU  90  -4.762 -10.514   3.049
  658    HB3  GLU  90           HB1      GLU  90  -5.851  -9.281   3.670
  659    HG2  GLU  90           HG2      GLU  90  -3.751  -9.420   4.930
  660    HG3  GLU  90           HG1      GLU  90  -5.165  -9.750   5.932
  661    H    GLN  91           HN       GLN  91  -7.810  -9.128   4.309
  662    HA   GLN  91           HA       GLN  91  -8.738  -9.823   6.998
  663    HB2  GLN  91           HB2      GLN  91  -7.525  -7.688   6.756
  664    HB3  GLN  91           HB1      GLN  91  -8.719  -7.145   5.586
  665    HG2  GLN  91           HG2      GLN  91 -10.452  -7.265   7.316
  666    HG3  GLN  91           HG1      GLN  91  -9.234  -7.772   8.486
  667   HE21  GLN  91          HE21      GLN  91  -8.630  -5.395   5.998
  668   HE22  GLN  91          HE22      GLN  91  -8.493  -4.042   7.065
  669    HA   PRO  92           HA       PRO  92 -12.711 -10.330   4.990
  670    HB2  PRO  92           HB2      PRO  92 -13.786 -11.930   6.842
  671    HB3  PRO  92           HB1      PRO  92 -12.532 -12.505   5.739
  672    HG2  PRO  92           HG2      PRO  92 -12.342 -11.797   8.614
  673    HG3  PRO  92           HG1      PRO  92 -11.427 -12.994   7.685
  674    HD2  PRO  92           HD2      PRO  92 -10.587 -10.388   8.405
  675    HD3  PRO  92           HD1      PRO  92  -9.771 -11.502   7.294
  676    H    GLY  93           HN       GLY  93 -11.918  -8.411   7.553
  677    HA2  GLY  93           HA2      GLY  93 -14.524  -8.068   8.719
  678    HA3  GLY  93           HA1      GLY  93 -13.087  -7.114   9.056
  679    H    THR  94           HN       THR  94 -16.102  -7.038   7.743
  680    HA   THR  94           HA       THR  94 -15.570  -5.117   5.651
  681    HB   THR  94           HB       THR  94 -18.220  -5.911   6.875
  682    HG1  THR  94           HG1      THR  94 -17.646  -7.762   5.951
  683   HG21  THR  94          HG21      THR  94 -19.164  -5.101   4.761
  684   HG22  THR  94          HG22      THR  94 -17.555  -4.612   4.229
  685   HG23  THR  94          HG23      THR  94 -18.308  -3.815   5.612
  686    H    ASP  95           HN       ASP  95 -14.800  -3.213   6.382
  687    HA   ASP  95           HA       ASP  95 -15.676  -2.047   8.854
  688    HB2  ASP  95           HB2      ASP  95 -13.378  -1.751   7.841
  689    HB3  ASP  95           HB1      ASP  95 -14.119  -0.685   6.653
  690    H    GLY  96           HN       GLY  96 -16.204  -1.400   5.417
  691    HA2  GLY  96           HA2      GLY  96 -17.990  -0.414   4.355
  692    HA3  GLY  96           HA1      GLY  96 -18.834  -0.425   5.896
  693    H    GLN  97           HN       GLN  97 -15.990   1.239   4.526
  694    HA   GLN  97           HA       GLN  97 -16.667   3.678   5.892
  695    HB2  GLN  97           HB2      GLN  97 -14.302   2.903   5.311
  696    HB3  GLN  97           HB1      GLN  97 -14.659   3.365   3.653
  697    HG2  GLN  97           HG2      GLN  97 -13.431   5.110   4.755
  698    HG3  GLN  97           HG1      GLN  97 -15.063   5.661   4.383
  699   HE21  GLN  97          HE21      GLN  97 -12.881   4.661   6.908
  700   HE22  GLN  97          HE22      GLN  97 -13.787   5.317   8.223
  Start of MODEL   10
    1    H    ASP   1           HN       ASP   1  26.054   6.885  -4.308
    2    HA   ASP   1           HA       ASP   1  23.466   7.893  -3.676
    3    HB2  ASP   1           HB2      ASP   1  25.001   9.295  -4.888
    4    HB3  ASP   1           HB1      ASP   1  25.114   8.120  -6.192
    5    HA   PRO   2           HA       PRO   2  21.921   4.853  -7.131
    6    HB2  PRO   2           HB2      PRO   2  24.067   2.844  -7.258
    7    HB3  PRO   2           HB1      PRO   2  23.197   3.638  -8.575
    8    HG2  PRO   2           HG2      PRO   2  25.772   4.192  -8.036
    9    HG3  PRO   2           HG1      PRO   2  24.651   5.423  -8.640
   10    HD2  PRO   2           HD2      PRO   2  25.631   4.955  -5.848
   11    HD3  PRO   2           HD1      PRO   2  25.376   6.485  -6.715
   12    H    VAL   3           HN       VAL   3  20.505   4.185  -5.570
   13    HA   VAL   3           HA       VAL   3  21.525   2.310  -3.544
   14    HB   VAL   3           HB       VAL   3  19.586   3.019  -2.147
   15   HG11  VAL   3          HG11      VAL   3  20.530   5.189  -1.498
   16   HG12  VAL   3          HG12      VAL   3  21.478   5.212  -2.986
   17   HG13  VAL   3          HG13      VAL   3  21.782   3.975  -1.765
   18   HG21  VAL   3          HG21      VAL   3  18.426   5.111  -2.724
   19   HG22  VAL   3          HG22      VAL   3  18.105   3.829  -3.890
   20   HG23  VAL   3          HG23      VAL   3  19.240   5.118  -4.288
   21    H    LYS   4           HN       LYS   4  19.977   0.760  -2.706
   22    HA   LYS   4           HA       LYS   4  18.143  -0.219  -4.768
   23    HB2  LYS   4           HB2      LYS   4  19.653  -1.538  -2.540
   24    HB3  LYS   4           HB1      LYS   4  18.143  -2.257  -3.079
   25    HG2  LYS   4           HG2      LYS   4  20.014  -3.299  -4.196
   26    HG3  LYS   4           HG1      LYS   4  19.032  -2.407  -5.358
   27    HD2  LYS   4           HD2      LYS   4  20.651  -0.519  -5.168
   28    HD3  LYS   4           HD1      LYS   4  21.664  -1.551  -4.157
   29    HE2  LYS   4           HE2      LYS   4  22.469  -1.605  -6.435
   30    HE3  LYS   4           HE1      LYS   4  21.800  -3.178  -6.002
   31    HZ1  LYS   4           HZ1      LYS   4  19.795  -2.657  -7.206
   32    HZ2  LYS   4           HZ2      LYS   4  21.134  -2.438  -8.229
   33    HZ3  LYS   4           HZ3      LYS   4  20.355  -1.090  -7.549
   34    HA   PRO   5           HA       PRO   5  14.399   0.897  -2.814
   35    HB2  PRO   5           HB2      PRO   5  13.891  -2.039  -2.538
   36    HB3  PRO   5           HB1      PRO   5  12.822  -0.766  -3.140
   37    HG2  PRO   5           HG2      PRO   5  14.072  -2.371  -4.839
   38    HG3  PRO   5           HG1      PRO   5  13.906  -0.640  -5.190
   39    HD2  PRO   5           HD2      PRO   5  16.296  -2.179  -4.327
   40    HD3  PRO   5           HD1      PRO   5  16.190  -0.732  -5.346
   41    H    SER   6           HN       SER   6  15.249   1.733  -0.921
   42    HA   SER   6           HA       SER   6  14.989   2.078   1.328
   43    HB2  SER   6           HB2      SER   6  13.089   0.500   1.434
   44    HB3  SER   6           HB1      SER   6  14.218  -0.848   1.531
   45    HG   SER   6           HG       SER   6  13.898  -0.505   3.602
   46    H    ARG   7           HN       ARG   7  16.330  -0.861   0.284
   47    HA   ARG   7           HA       ARG   7  18.546  -1.527   0.109
   48    HB2  ARG   7           HB2      ARG   7  19.123   0.939   0.470
   49    HB3  ARG   7           HB1      ARG   7  19.278   0.545   2.178
   50    HG2  ARG   7           HG2      ARG   7  20.974  -1.194   1.534
   51    HG3  ARG   7           HG1      ARG   7  20.936  -0.512  -0.093
   52    HD2  ARG   7           HD2      ARG   7  22.786   0.422   1.174
   53    HD3  ARG   7           HD1      ARG   7  21.591   1.671   0.818
   54    HE   ARG   7           HE       ARG   7  20.906   0.698   3.292
   55   HH11  ARG   7          HH11      ARG   7  23.779   2.159   1.907
   56   HH12  ARG   7          HH12      ARG   7  24.262   2.906   3.402
   57   HH21  ARG   7          HH21      ARG   7  21.542   1.687   5.247
   58   HH22  ARG   7          HH22      ARG   7  23.004   2.635   5.294
   59    H    GLY   8           HN       GLY   8  16.997  -3.079   1.271
   60    HA2  GLY   8           HA2      GLY   8  18.457  -4.283   3.401
   61    HA3  GLY   8           HA1      GLY   8  16.958  -3.564   3.975
   62    HA   PRO   9           HA       PRO   9  15.246  -7.467   2.635
   63    HB2  PRO   9           HB2      PRO   9  12.687  -6.666   3.638
   64    HB3  PRO   9           HB1      PRO   9  13.844  -7.772   4.380
   65    HG2  PRO   9           HG2      PRO   9  13.154  -5.287   5.384
   66    HG3  PRO   9           HG1      PRO   9  14.633  -6.170   5.791
   67    HD2  PRO   9           HD2      PRO   9  14.233  -3.914   3.872
   68    HD3  PRO   9           HD1      PRO   9  15.614  -4.264   4.936
   69    H    LEU  10           HN       LEU  10  15.362  -6.956   0.393
   70    HA   LEU  10           HA       LEU  10  13.504  -5.300  -0.919
   71    HB2  LEU  10           HB2      LEU  10  15.121  -7.610  -1.984
   72    HB3  LEU  10           HB1      LEU  10  14.213  -6.487  -2.980
   73    HG   LEU  10           HG       LEU  10  16.563  -5.798  -1.217
   74   HD11  LEU  10          HD11      LEU  10  16.265  -5.837  -4.215
   75   HD12  LEU  10          HD12      LEU  10  17.172  -7.001  -3.252
   76   HD13  LEU  10          HD13      LEU  10  17.692  -5.317  -3.322
   77   HD21  LEU  10          HD21      LEU  10  16.368  -3.559  -2.198
   78   HD22  LEU  10          HD22      LEU  10  14.944  -3.987  -1.252
   79   HD23  LEU  10          HD23      LEU  10  14.884  -4.051  -3.012
   80    H    VAL  11           HN       VAL  11  11.447  -5.661  -0.437
   81    HA   VAL  11           HA       VAL  11  10.308  -8.333  -0.793
   82    HB   VAL  11           HB       VAL  11   9.130  -5.833   0.435
   83   HG11  VAL  11          HG11      VAL  11   7.262  -7.235   1.125
   84   HG12  VAL  11          HG12      VAL  11   7.962  -8.605   0.263
   85   HG13  VAL  11          HG13      VAL  11   7.402  -7.191  -0.633
   86   HG21  VAL  11          HG21      VAL  11   9.287  -7.071   2.536
   87   HG22  VAL  11          HG22      VAL  11  10.873  -6.858   1.796
   88   HG23  VAL  11          HG23      VAL  11  10.051  -8.415   1.689
   89    H    THR  12           HN       THR  12   9.586  -8.765  -2.775
   90    HA   THR  12           HA       THR  12   8.521  -6.689  -4.481
   91    HB   THR  12           HB       THR  12   8.784  -9.673  -4.824
   92    HG1  THR  12           HG1      THR  12  10.114  -8.801  -6.649
   93   HG21  THR  12          HG21      THR  12   7.619  -7.719  -6.811
   94   HG22  THR  12          HG22      THR  12   6.690  -8.897  -5.881
   95   HG23  THR  12          HG23      THR  12   7.882  -9.447  -7.066
   96    H    CYS  13           HN       CYS  13   6.414  -6.259  -4.880
   97    HA   CYS  13           HA       CYS  13   4.410  -8.206  -4.156
   98    HB2  CYS  13           HB2      CYS  13   4.956  -5.974  -2.468
   99    HB3  CYS  13           HB1      CYS  13   3.370  -5.744  -3.205
  100    H    THR  14           HN       THR  14   2.381  -7.827  -5.108
  101    HA   THR  14           HA       THR  14   2.266  -6.845  -7.687
  102    HB   THR  14           HB       THR  14  -0.009  -6.994  -5.701
  103    HG1  THR  14           HG1      THR  14   1.021  -9.057  -7.382
  104   HG21  THR  14          HG21      THR  14  -0.608  -5.942  -7.842
  105   HG22  THR  14          HG22      THR  14  -1.400  -7.504  -7.632
  106   HG23  THR  14          HG23      THR  14  -0.003  -7.359  -8.703
  107    H    CYS  15           HN       CYS  15   2.961  -4.736  -8.054
  108    HA   CYS  15           HA       CYS  15   1.827  -2.606  -6.393
  109    HB2  CYS  15           HB2      CYS  15   4.367  -3.065  -6.781
  110    HB3  CYS  15           HB1      CYS  15   4.109  -2.223  -8.300
  111    H    GLU  16           HN       GLU  16   0.178  -1.405  -7.236
  112    HA   GLU  16           HA       GLU  16  -0.037  -1.316 -10.165
  113    HB2  GLU  16           HB2      GLU  16  -1.622  -3.021  -9.261
  114    HB3  GLU  16           HB1      GLU  16  -2.396  -1.749  -8.323
  115    HG2  GLU  16           HG2      GLU  16  -2.840  -0.549 -10.466
  116    HG3  GLU  16           HG1      GLU  16  -2.247  -1.971 -11.319
  117    H    SER  17           HN       SER  17   0.638   0.759 -10.311
  118    HA   SER  17           HA       SER  17   0.508   3.028 -10.371
  119    HB2  SER  17           HB2      SER  17  -2.077   2.185 -10.508
  120    HB3  SER  17           HB1      SER  17  -2.095   3.240  -9.099
  121    HG   SER  17           HG       SER  17  -1.813   3.875 -11.759
  122    HA   PRO  18           HA       PRO  18   0.153   3.712  -5.694
  123    HB2  PRO  18           HB2      PRO  18   1.651   1.803  -4.374
  124    HB3  PRO  18           HB1      PRO  18  -0.075   1.650  -4.732
  125    HG2  PRO  18           HG2      PRO  18   2.084   0.115  -5.786
  126    HG3  PRO  18           HG1      PRO  18   0.370   0.000  -6.201
  127    HD2  PRO  18           HD2      PRO  18   2.563   1.409  -7.630
  128    HD3  PRO  18           HD1      PRO  18   1.061   0.703  -8.257
  129    H    HIS  19           HN       HIS  19   3.164   1.976  -5.701
  130    HA   HIS  19           HA       HIS  19   4.645   4.471  -5.284
  131    HB2  HIS  19           HB2      HIS  19   6.016   2.056  -4.424
  132    HB3  HIS  19           HB1      HIS  19   5.681   3.529  -3.518
  133    HD1  HIS  19           HD1      HIS  19   4.409   0.088  -4.128
  134    HD2  HIS  19           HD2      HIS  19   3.322   3.447  -1.974
  135    HE1  HIS  19           HE1      HIS  19   2.550  -0.658  -2.604
  136    HE2  HIS  19           HE2      HIS  19   2.073   1.347  -1.163
  137    H    CYS  20           HN       CYS  20   3.821   2.468  -7.575
  138    HA   CYS  20           HA       CYS  20   6.443   2.402  -8.863
  139    HB2  CYS  20           HB2      CYS  20   4.795  -0.084  -9.010
  140    HB3  CYS  20           HB1      CYS  20   6.536   0.098  -9.141
  141    H    LYS  21           HN       LYS  21   6.276   2.658 -11.040
  142    HA   LYS  21           HA       LYS  21   3.623   2.577 -12.276
  143    HB2  LYS  21           HB2      LYS  21   6.352   3.266 -13.409
  144    HB3  LYS  21           HB1      LYS  21   4.863   3.275 -14.341
  145    HG2  LYS  21           HG2      LYS  21   5.502   5.052 -11.992
  146    HG3  LYS  21           HG1      LYS  21   5.500   5.523 -13.690
  147    HD2  LYS  21           HD2      LYS  21   3.406   6.218 -13.216
  148    HD3  LYS  21           HD1      LYS  21   3.006   4.518 -13.472
  149    HE2  LYS  21           HE2      LYS  21   2.004   5.382 -11.412
  150    HE3  LYS  21           HE1      LYS  21   3.175   4.107 -11.075
  151    HZ1  LYS  21           HZ1      LYS  21   3.300   6.116  -9.602
  152    HZ2  LYS  21           HZ2      LYS  21   3.856   6.989 -10.948
  153    HZ3  LYS  21           HZ3      LYS  21   4.758   5.683 -10.353
  154    H    GLY  22           HN       GLY  22   4.245   0.158 -11.233
  155    HA2  GLY  22           HA2      GLY  22   4.840  -1.552 -13.422
  156    HA3  GLY  22           HA1      GLY  22   6.205  -1.405 -12.323
  157    HA   PRO  23           HA       PRO  23   1.924  -3.802 -10.742
  158    HB2  PRO  23           HB2      PRO  23   3.018  -5.485 -12.972
  159    HB3  PRO  23           HB1      PRO  23   1.393  -5.496 -12.270
  160    HG2  PRO  23           HG2      PRO  23   1.976  -4.097 -14.503
  161    HG3  PRO  23           HG1      PRO  23   0.786  -3.535 -13.318
  162    HD2  PRO  23           HD2      PRO  23   3.378  -2.387 -13.983
  163    HD3  PRO  23           HD1      PRO  23   2.102  -1.712 -12.934
  164    H    THR  24           HN       THR  24   5.284  -4.647 -11.523
  165    HA   THR  24           HA       THR  24   5.331  -5.831  -8.873
  166    HB   THR  24           HB       THR  24   7.017  -7.559  -9.766
  167    HG1  THR  24           HG1      THR  24   7.366  -6.934 -11.834
  168   HG21  THR  24          HG21      THR  24   4.112  -7.820 -10.550
  169   HG22  THR  24          HG22      THR  24   4.795  -8.191  -8.966
  170   HG23  THR  24          HG23      THR  24   5.255  -9.151 -10.374
  171    H    CYS  25           HN       CYS  25   7.052  -5.368  -7.688
  172    HA   CYS  25           HA       CYS  25   9.555  -4.579  -8.897
  173    HB2  CYS  25           HB2      CYS  25   9.588  -2.376  -8.399
  174    HB3  CYS  25           HB1      CYS  25   7.835  -2.509  -8.383
  175    H    ARG  26           HN       ARG  26  11.297  -4.897  -7.515
  176    HA   ARG  26           HA       ARG  26  10.734  -5.930  -4.885
  177    HB2  ARG  26           HB2      ARG  26  13.137  -5.692  -6.570
  178    HB3  ARG  26           HB1      ARG  26  13.421  -5.447  -4.853
  179    HG2  ARG  26           HG2      ARG  26  12.323  -7.608  -4.395
  180    HG3  ARG  26           HG1      ARG  26  12.161  -7.862  -6.133
  181    HD2  ARG  26           HD2      ARG  26  14.761  -7.488  -4.655
  182    HD3  ARG  26           HD1      ARG  26  14.098  -9.037  -5.176
  183    HE   ARG  26           HE       ARG  26  14.277  -7.291  -7.382
  184   HH11  ARG  26          HH11      ARG  26  16.329  -9.147  -5.210
  185   HH12  ARG  26          HH12      ARG  26  17.588  -9.366  -6.392
  186   HH21  ARG  26          HH21      ARG  26  15.911  -7.571  -8.914
  187   HH22  ARG  26          HH22      ARG  26  17.351  -8.457  -8.507
  188    H    GLY  27           HN       GLY  27  10.887  -4.870  -3.037
  189    HA2  GLY  27           HA2      GLY  27  11.612  -2.052  -3.094
  190    HA3  GLY  27           HA1      GLY  27   9.934  -2.428  -2.739
  191    H    ALA  28           HN       ALA  28   9.894  -1.683  -0.710
  192    HA   ALA  28           HA       ALA  28  11.972  -2.481   1.187
  193    HB1  ALA  28           HB1      ALA  28  10.970  -0.128   0.918
  194    HB2  ALA  28           HB2      ALA  28  11.183  -0.762   2.557
  195    HB3  ALA  28           HB3      ALA  28   9.583  -0.776   1.805
  196    H    TRP  29           HN       TRP  29   8.610  -2.774   0.547
  197    HA   TRP  29           HA       TRP  29   8.141  -5.189   1.815
  198    HB2  TRP  29           HB2      TRP  29   6.652  -4.275   3.685
  199    HB3  TRP  29           HB1      TRP  29   8.384  -4.188   3.961
  200    HD1  TRP  29           HD1      TRP  29   6.269  -1.630   1.970
  201    HE1  TRP  29           HE1      TRP  29   6.495   0.651   3.122
  202    HE3  TRP  29           HE3      TRP  29   9.056  -3.034   6.008
  203    HZ2  TRP  29           HZ2      TRP  29   7.697   1.721   5.440
  204    HZ3  TRP  29           HZ3      TRP  29   9.705  -1.323   7.646
  205    HH2  TRP  29           HH2      TRP  29   9.041   1.010   7.364
  206    H    CYS  30           HN       CYS  30   5.558  -5.258   2.231
  207    HA   CYS  30           HA       CYS  30   4.470  -4.264  -0.289
  208    HB2  CYS  30           HB2      CYS  30   3.273  -6.173   1.729
  209    HB3  CYS  30           HB1      CYS  30   2.582  -5.770   0.162
  210    H    THR  31           HN       THR  31   3.503  -2.347  -0.238
  211    HA   THR  31           HA       THR  31   1.896  -1.720   2.137
  212    HB   THR  31           HB       THR  31   2.300   0.721   1.159
  213    HG1  THR  31           HG1      THR  31   4.774  -0.542   0.605
  214   HG21  THR  31          HG21      THR  31   2.819  -0.037   3.442
  215   HG22  THR  31          HG22      THR  31   4.074   1.018   2.794
  216   HG23  THR  31          HG23      THR  31   4.332  -0.725   2.855
  217    H    VAL  32           HN       VAL  32  -0.160  -1.319   1.816
  218    HA   VAL  32           HA       VAL  32  -1.063  -0.863  -0.945
  219    HB   VAL  32           HB       VAL  32  -3.266  -1.747  -0.234
  220   HG11  VAL  32          HG11      VAL  32  -2.593  -4.085  -0.231
  221   HG12  VAL  32          HG12      VAL  32  -0.938  -3.609   0.147
  222   HG13  VAL  32          HG13      VAL  32  -1.660  -3.146  -1.394
  223   HG21  VAL  32          HG21      VAL  32  -1.819  -2.657   2.245
  224   HG22  VAL  32          HG22      VAL  32  -3.508  -2.965   1.814
  225   HG23  VAL  32          HG23      VAL  32  -2.977  -1.325   2.184
  226    H    VAL  33           HN       VAL  33  -3.005   0.474  -1.108
  227    HA   VAL  33           HA       VAL  33  -3.526   2.378   0.945
  228    HB   VAL  33           HB       VAL  33  -2.747   4.185  -0.955
  229   HG11  VAL  33          HG11      VAL  33  -1.151   3.206   1.395
  230   HG12  VAL  33          HG12      VAL  33  -2.427   4.424   1.427
  231   HG13  VAL  33          HG13      VAL  33  -0.918   4.749   0.574
  232   HG21  VAL  33          HG21      VAL  33  -0.479   3.718  -1.618
  233   HG22  VAL  33          HG22      VAL  33  -1.532   2.430  -2.209
  234   HG23  VAL  33          HG23      VAL  33  -0.523   2.165  -0.783
  235    H    LEU  34           HN       LEU  34  -5.656   2.518   0.673
  236    HA   LEU  34           HA       LEU  34  -6.734   2.791  -2.031
  237    HB2  LEU  34           HB2      LEU  34  -7.936   1.288  -0.489
  238    HB3  LEU  34           HB1      LEU  34  -8.157   2.614   0.633
  239    HG   LEU  34           HG       LEU  34  -9.350   3.713  -1.477
  240   HD11  LEU  34          HD11      LEU  34  -8.873   1.836  -2.958
  241   HD12  LEU  34          HD12      LEU  34 -10.608   2.056  -2.729
  242   HD13  LEU  34          HD13      LEU  34  -9.762   0.760  -1.882
  243   HD21  LEU  34          HD21      LEU  34 -10.373   3.389   0.693
  244   HD22  LEU  34          HD22      LEU  34 -10.603   1.676   0.351
  245   HD23  LEU  34          HD23      LEU  34 -11.479   2.885  -0.584
  246    H    VAL  35           HN       VAL  35  -7.104   4.754  -2.828
  247    HA   VAL  35           HA       VAL  35  -6.919   7.057  -1.082
  248    HB   VAL  35           HB       VAL  35  -7.609   6.977  -4.033
  249   HG11  VAL  35          HG11      VAL  35  -6.950   9.324  -4.025
  250   HG12  VAL  35          HG12      VAL  35  -6.629   9.238  -2.294
  251   HG13  VAL  35          HG13      VAL  35  -8.274   9.038  -2.896
  252   HG21  VAL  35          HG21      VAL  35  -5.246   7.594  -4.409
  253   HG22  VAL  35          HG22      VAL  35  -5.425   5.988  -3.705
  254   HG23  VAL  35          HG23      VAL  35  -4.930   7.343  -2.692
  255    H    ARG  36           HN       ARG  36  -8.657   7.486   0.133
  256    HA   ARG  36           HA       ARG  36 -11.271   6.566  -0.481
  257    HB2  ARG  36           HB2      ARG  36 -10.541   8.835   1.370
  258    HB3  ARG  36           HB1      ARG  36 -12.013   7.879   1.398
  259    HG2  ARG  36           HG2      ARG  36  -9.286   6.724   1.892
  260    HG3  ARG  36           HG1      ARG  36 -10.345   7.337   3.157
  261    HD2  ARG  36           HD2      ARG  36 -11.324   5.271   1.231
  262    HD3  ARG  36           HD1      ARG  36 -10.352   4.808   2.629
  263    HE   ARG  36           HE       ARG  36 -12.153   6.147   3.909
  264   HH11  ARG  36          HH11      ARG  36 -12.724   4.136   1.088
  265   HH12  ARG  36          HH12      ARG  36 -14.363   3.775   1.534
  266   HH21  ARG  36          HH21      ARG  36 -14.308   5.659   4.470
  267   HH22  ARG  36          HH22      ARG  36 -15.255   4.627   3.436
  268    H    GLU  37           HN       GLU  37 -13.130   8.255  -0.480
  269    HA   GLU  37           HA       GLU  37 -12.445  10.096  -2.628
  270    HB2  GLU  37           HB2      GLU  37 -14.991  10.265  -2.894
  271    HB3  GLU  37           HB1      GLU  37 -14.151   8.830  -3.448
  272    HG2  GLU  37           HG2      GLU  37 -14.988   7.526  -1.705
  273    HG3  GLU  37           HG1      GLU  37 -15.462   8.932  -0.752
  274    H    GLU  38           HN       GLU  38 -15.380  10.867  -1.045
  275    HA   GLU  38           HA       GLU  38 -16.057  12.926  -0.369
  276    HB2  GLU  38           HB2      GLU  38 -14.923  11.878   1.683
  277    HB3  GLU  38           HB1      GLU  38 -13.547  12.905   1.311
  278    HG2  GLU  38           HG2      GLU  38 -14.878  14.883   1.627
  279    HG3  GLU  38           HG1      GLU  38 -16.326  13.905   1.865
  280    H    GLY  39           HN       GLY  39 -15.499  13.541  -2.588
  281    HA2  GLY  39           HA2      GLY  39 -14.660  15.470  -3.763
  282    HA3  GLY  39           HA1      GLY  39 -13.254  15.446  -2.705
  283    H    ARG  40           HN       ARG  40 -12.341  12.926  -2.810
  284    HA   ARG  40           HA       ARG  40 -11.446  12.632  -5.553
  285    HB2  ARG  40           HB2      ARG  40 -10.142  12.545  -3.213
  286    HB3  ARG  40           HB1      ARG  40 -10.555  10.841  -3.347
  287    HG2  ARG  40           HG2      ARG  40  -8.307  11.565  -4.218
  288    HG3  ARG  40           HG1      ARG  40  -9.292  10.581  -5.290
  289    HD2  ARG  40           HD2      ARG  40  -8.239  12.431  -6.487
  290    HD3  ARG  40           HD1      ARG  40  -9.999  12.547  -6.500
  291    HE   ARG  40           HE       ARG  40  -9.396  14.098  -4.414
  292   HH11  ARG  40          HH11      ARG  40  -7.908  13.949  -7.587
  293   HH12  ARG  40          HH12      ARG  40  -7.602  15.667  -7.652
  294   HH21  ARG  40          HH21      ARG  40  -8.965  16.336  -4.499
  295   HH22  ARG  40          HH22      ARG  40  -8.196  17.010  -5.906
  296    H    HIS  41           HN       HIS  41 -10.945   9.649  -4.843
  297    HA   HIS  41           HA       HIS  41 -13.480   8.444  -4.548
  298    HB2  HIS  41           HB2      HIS  41 -13.872   7.544  -6.711
  299    HB3  HIS  41           HB1      HIS  41 -13.696   9.280  -6.896
  300    HD1  HIS  41           HD1      HIS  41 -12.655   6.174  -8.329
  301    HD2  HIS  41           HD2      HIS  41 -10.930   9.932  -7.869
  302    HE1  HIS  41           HE1      HIS  41 -10.826   6.301 -10.050
  303    HE2  HIS  41           HE2      HIS  41  -9.958   8.663  -9.905
  304    HA   PRO  42           HA       PRO  42 -11.102   5.123  -3.107
  305    HB2  PRO  42           HB2      PRO  42 -13.078   3.326  -4.410
  306    HB3  PRO  42           HB1      PRO  42 -12.579   3.418  -2.717
  307    HG2  PRO  42           HG2      PRO  42 -14.938   4.372  -3.486
  308    HG3  PRO  42           HG1      PRO  42 -13.964   5.227  -2.273
  309    HD2  PRO  42           HD2      PRO  42 -14.357   5.852  -5.171
  310    HD3  PRO  42           HD1      PRO  42 -14.251   6.952  -3.786
  311    H    GLN  43           HN       GLN  43  -9.264   4.408  -3.868
  312    HA   GLN  43           HA       GLN  43  -9.198   2.851  -6.351
  313    HB2  GLN  43           HB2      GLN  43  -7.538   5.269  -5.679
  314    HB3  GLN  43           HB1      GLN  43  -6.925   4.032  -6.766
  315    HG2  GLN  43           HG2      GLN  43  -8.471   4.519  -8.408
  316    HG3  GLN  43           HG1      GLN  43  -9.599   5.258  -7.268
  317   HE21  GLN  43          HE21      GLN  43  -7.902   6.984  -5.947
  318   HE22  GLN  43          HE22      GLN  43  -7.342   8.204  -7.039
  319    H    GLU  44           HN       GLU  44  -8.354   0.920  -5.872
  320    HA   GLU  44           HA       GLU  44  -6.805   0.531  -3.426
  321    HB2  GLU  44           HB2      GLU  44  -7.524  -1.551  -5.503
  322    HB3  GLU  44           HB1      GLU  44  -7.076  -1.819  -3.827
  323    HG2  GLU  44           HG2      GLU  44  -9.372  -2.191  -3.893
  324    HG3  GLU  44           HG1      GLU  44  -9.213  -0.568  -3.227
  325    H    HIS  45           HN       HIS  45  -4.724   1.288  -3.713
  326    HA   HIS  45           HA       HIS  45  -3.265   0.106  -5.984
  327    HB2  HIS  45           HB2      HIS  45  -2.704   2.694  -4.512
  328    HB3  HIS  45           HB1      HIS  45  -1.616   1.975  -5.694
  329    HD1  HIS  45           HD1      HIS  45  -2.332   4.610  -6.585
  330    HD2  HIS  45           HD2      HIS  45  -4.942   1.436  -7.200
  331    HE1  HIS  45           HE1      HIS  45  -3.888   5.359  -8.412
  332    HE2  HIS  45           HE2      HIS  45  -5.353   3.355  -8.877
  333    H    ARG  46           HN       ARG  46  -2.082  -1.531  -5.422
  334    HA   ARG  46           HA       ARG  46  -0.994  -1.727  -2.680
  335    HB2  ARG  46           HB2      ARG  46  -0.994  -4.217  -3.182
  336    HB3  ARG  46           HB1      ARG  46  -2.589  -3.482  -3.069
  337    HG2  ARG  46           HG2      ARG  46  -2.793  -3.434  -5.468
  338    HG3  ARG  46           HG1      ARG  46  -1.140  -4.016  -5.657
  339    HD2  ARG  46           HD2      ARG  46  -2.685  -5.829  -6.018
  340    HD3  ARG  46           HD1      ARG  46  -1.782  -6.115  -4.533
  341    HE   ARG  46           HE       ARG  46  -3.734  -6.041  -3.375
  342   HH11  ARG  46          HH11      ARG  46  -4.264  -4.631  -6.539
  343   HH12  ARG  46          HH12      ARG  46  -5.983  -4.476  -6.320
  344   HH21  ARG  46          HH21      ARG  46  -5.994  -5.914  -3.115
  345   HH22  ARG  46          HH22      ARG  46  -6.971  -5.268  -4.395
  346    H    GLY  47           HN       GLY  47   1.224  -2.727  -2.504
  347    HA2  GLY  47           HA2      GLY  47   2.748  -3.794  -4.488
  348    HA3  GLY  47           HA1      GLY  47   2.862  -2.075  -4.824
  349    H    CYS  48           HN       CYS  48   5.072  -1.959  -4.457
  350    HA   CYS  48           HA       CYS  48   6.068  -2.827  -1.842
  351    HB2  CYS  48           HB2      CYS  48   8.279  -2.408  -3.396
  352    HB3  CYS  48           HB1      CYS  48   7.464  -3.958  -3.229
  353    H    GLY  49           HN       GLY  49   6.686  -1.295  -0.438
  354    HA2  GLY  49           HA2      GLY  49   6.333   1.466  -1.006
  355    HA3  GLY  49           HA1      GLY  49   7.034   0.804   0.460
  356    H    ASN  50           HN       ASN  50   8.876  -0.517  -1.727
  357    HA   ASN  50           HA       ASN  50  10.983  -0.286  -2.426
  358    HB2  ASN  50           HB2      ASN  50   9.563   1.567  -3.792
  359    HB3  ASN  50           HB1      ASN  50  10.782   2.591  -3.019
  360   HD21  ASN  50          HD21      ASN  50  10.269  -0.116  -5.176
  361   HD22  ASN  50          HD22      ASN  50  11.823  -0.068  -5.929
  362    H    LEU  51           HN       LEU  51  10.993   3.112  -1.461
  363    HA   LEU  51           HA       LEU  51  12.740   2.348   0.770
  364    HB2  LEU  51           HB2      LEU  51  14.038   4.547   0.051
  365    HB3  LEU  51           HB1      LEU  51  14.463   2.962  -0.580
  366    HG   LEU  51           HG       LEU  51  12.976   3.518  -2.576
  367   HD11  LEU  51          HD11      LEU  51  11.709   5.341  -1.578
  368   HD12  LEU  51          HD12      LEU  51  12.561   5.875  -3.027
  369   HD13  LEU  51          HD13      LEU  51  13.185   6.297  -1.431
  370   HD21  LEU  51          HD21      LEU  51  15.392   3.548  -2.712
  371   HD22  LEU  51          HD22      LEU  51  15.432   5.185  -2.058
  372   HD23  LEU  51          HD23      LEU  51  14.717   4.886  -3.641
  373    H    HIS  52           HN       HIS  52   9.922   3.503   0.305
  374    HA   HIS  52           HA       HIS  52  10.163   6.014   1.787
  375    HB2  HIS  52           HB2      HIS  52   7.855   4.663   0.404
  376    HB3  HIS  52           HB1      HIS  52   7.595   5.981   1.537
  377    HD1  HIS  52           HD1      HIS  52   7.303   8.147   0.374
  378    HD2  HIS  52           HD2      HIS  52   9.887   5.606  -1.686
  379    HE1  HIS  52           HE1      HIS  52   7.973   9.391  -1.708
  380    HE2  HIS  52           HE2      HIS  52   9.434   7.788  -2.997
  381    H    ARG  53           HN       ARG  53  10.533   5.646   3.893
  382    HA   ARG  53           HA       ARG  53   9.215   3.606   5.433
  383    HB2  ARG  53           HB2      ARG  53  11.454   4.906   5.880
  384    HB3  ARG  53           HB1      ARG  53  10.399   6.117   6.592
  385    HG2  ARG  53           HG2      ARG  53  11.155   4.774   8.367
  386    HG3  ARG  53           HG1      ARG  53   9.489   4.283   8.062
  387    HD2  ARG  53           HD2      ARG  53  11.017   2.369   8.422
  388    HD3  ARG  53           HD1      ARG  53  10.226   2.342   6.847
  389    HE   ARG  53           HE       ARG  53  12.699   3.634   6.574
  390   HH11  ARG  53          HH11      ARG  53  11.497   0.442   7.350
  391   HH12  ARG  53          HH12      ARG  53  12.833  -0.383   6.596
  392   HH21  ARG  53          HH21      ARG  53  14.450   2.566   5.597
  393   HH22  ARG  53          HH22      ARG  53  14.495   0.826   5.584
  394    H    GLU  54           HN       GLU  54   8.636   6.750   4.353
  395    HA   GLU  54           HA       GLU  54   6.754   7.884   5.997
  396    HB2  GLU  54           HB2      GLU  54   7.600   9.173   4.273
  397    HB3  GLU  54           HB1      GLU  54   7.358   7.920   3.075
  398    HG2  GLU  54           HG2      GLU  54   4.908   8.353   3.233
  399    HG3  GLU  54           HG1      GLU  54   5.285   9.737   4.265
  400    H    LEU  55           HN       LEU  55   6.321   5.261   3.708
  401    HA   LEU  55           HA       LEU  55   3.479   5.585   3.491
  402    HB2  LEU  55           HB2      LEU  55   5.240   3.305   2.607
  403    HB3  LEU  55           HB1      LEU  55   3.571   3.561   2.126
  404    HG   LEU  55           HG       LEU  55   5.895   5.374   1.466
  405   HD11  LEU  55          HD11      LEU  55   5.520   4.630  -0.825
  406   HD12  LEU  55          HD12      LEU  55   4.267   3.521  -0.262
  407   HD13  LEU  55          HD13      LEU  55   5.945   3.282   0.231
  408   HD21  LEU  55          HD21      LEU  55   3.858   6.658   1.743
  409   HD22  LEU  55          HD22      LEU  55   2.987   5.545   0.688
  410   HD23  LEU  55          HD23      LEU  55   4.281   6.550   0.034
  411    H    CYS  56           HN       CYS  56   4.843   4.879   6.149
  412    HA   CYS  56           HA       CYS  56   2.862   2.939   6.971
  413    HB2  CYS  56           HB2      CYS  56   5.831   2.461   7.311
  414    HB3  CYS  56           HB1      CYS  56   4.597   1.602   8.222
  415    H    ARG  57           HN       ARG  57   2.542   5.375   7.600
  416    HA   ARG  57           HA       ARG  57   3.784   5.766  10.245
  417    HB2  ARG  57           HB2      ARG  57   2.875   7.767   8.204
  418    HB3  ARG  57           HB1      ARG  57   3.057   8.213   9.895
  419    HG2  ARG  57           HG2      ARG  57   5.208   7.145   8.074
  420    HG3  ARG  57           HG1      ARG  57   5.061   8.792   8.693
  421    HD2  ARG  57           HD2      ARG  57   5.334   7.949  10.979
  422    HD3  ARG  57           HD1      ARG  57   5.486   6.310  10.352
  423    HE   ARG  57           HE       ARG  57   7.409   8.449   9.673
  424   HH11  ARG  57          HH11      ARG  57   6.673   5.182  10.718
  425   HH12  ARG  57          HH12      ARG  57   8.336   4.690  10.801
  426   HH21  ARG  57          HH21      ARG  57   9.613   7.822   9.821
  427   HH22  ARG  57          HH22      ARG  57  10.009   6.203  10.308
  428    H    GLY  58           HN       GLY  58   0.760   6.130   8.462
  429    HA2  GLY  58           HA2      GLY  58  -1.365   5.559   9.177
  430    HA3  GLY  58           HA1      GLY  58  -0.685   5.145  10.741
  431    H    ARG  59           HN       ARG  59  -1.400   7.992   8.720
  432    HA   ARG  59           HA       ARG  59  -2.605   9.232  11.090
  433    HB2  ARG  59           HB2      ARG  59  -0.824  10.631   9.078
  434    HB3  ARG  59           HB1      ARG  59  -1.757  11.439  10.328
  435    HG2  ARG  59           HG2      ARG  59  -0.454  10.382  12.053
  436    HG3  ARG  59           HG1      ARG  59   0.417   9.426  10.854
  437    HD2  ARG  59           HD2      ARG  59   1.752  11.322  11.597
  438    HD3  ARG  59           HD1      ARG  59   1.341  11.468   9.892
  439    HE   ARG  59           HE       ARG  59  -0.577  12.942  10.913
  440   HH11  ARG  59          HH11      ARG  59   2.772  12.792  11.899
  441   HH12  ARG  59          HH12      ARG  59   2.840  14.459  12.395
  442   HH21  ARG  59          HH21      ARG  59  -0.522  15.109  11.568
  443   HH22  ARG  59          HH22      ARG  59   0.947  15.790  12.211
  444    HA   PRO  60           HA       PRO  60  -5.856   9.087   7.887
  445    HB2  PRO  60           HB2      PRO  60  -7.721  10.171   9.647
  446    HB3  PRO  60           HB1      PRO  60  -7.440   8.447   9.389
  447    HG2  PRO  60           HG2      PRO  60  -6.426  10.231  11.557
  448    HG3  PRO  60           HG1      PRO  60  -6.945   8.537  11.644
  449    HD2  PRO  60           HD2      PRO  60  -4.348   9.213  11.662
  450    HD3  PRO  60           HD1      PRO  60  -4.920   7.746  10.839
  451    H    THR  61           HN       THR  61  -5.142  10.688   6.546
  452    HA   THR  61           HA       THR  61  -5.804  13.442   7.179
  453    HB   THR  61           HB       THR  61  -2.979  12.402   7.001
  454    HG1  THR  61           HG1      THR  61  -4.443  12.860   9.030
  455   HG21  THR  61          HG21      THR  61  -3.148  14.332   5.525
  456   HG22  THR  61          HG22      THR  61  -2.191  14.696   6.960
  457   HG23  THR  61          HG23      THR  61  -3.851  15.279   6.836
  458    H    GLU  62           HN       GLU  62  -4.028  11.244   5.046
  459    HA   GLU  62           HA       GLU  62  -4.454  13.002   2.762
  460    HB2  GLU  62           HB2      GLU  62  -3.240  10.408   2.206
  461    HB3  GLU  62           HB1      GLU  62  -2.620  12.020   1.888
  462    HG2  GLU  62           HG2      GLU  62  -1.039  11.152   3.317
  463    HG3  GLU  62           HG1      GLU  62  -2.079  12.053   4.416
  464    H    PHE  63           HN       PHE  63  -6.002  10.487   4.327
  465    HA   PHE  63           HA       PHE  63  -7.850   9.248   3.871
  466    HB2  PHE  63           HB2      PHE  63  -7.826  10.682   1.199
  467    HB3  PHE  63           HB1      PHE  63  -9.084   9.578   1.731
  468    HD1  PHE  63           HD1      PHE  63 -10.047  10.212   4.158
  469    HD2  PHE  63           HD2      PHE  63  -8.252  12.910   1.402
  470    HE1  PHE  63           HE1      PHE  63 -11.253  12.080   5.208
  471    HE2  PHE  63           HE2      PHE  63  -9.452  14.785   2.449
  472    HZ   PHE  63           HZ       PHE  63 -10.954  14.372   4.355
  473    H    VAL  64           HN       VAL  64  -5.047   8.581   3.270
  474    HA   VAL  64           HA       VAL  64  -5.505   6.536   1.222
  475    HB   VAL  64           HB       VAL  64  -3.660   8.494   1.108
  476   HG11  VAL  64          HG11      VAL  64  -1.429   7.580   1.552
  477   HG12  VAL  64          HG12      VAL  64  -2.175   6.192   2.348
  478   HG13  VAL  64          HG13      VAL  64  -2.380   7.809   3.023
  479   HG21  VAL  64          HG21      VAL  64  -4.243   7.052  -0.722
  480   HG22  VAL  64          HG22      VAL  64  -3.374   5.704   0.012
  481   HG23  VAL  64          HG23      VAL  64  -2.487   7.114  -0.566
  482    H    ASN  65           HN       ASN  65  -5.501   4.502   1.888
  483    HA   ASN  65           HA       ASN  65  -5.000   3.991   4.708
  484    HB2  ASN  65           HB2      ASN  65  -5.939   1.906   2.750
  485    HB3  ASN  65           HB1      ASN  65  -6.275   2.037   4.473
  486   HD21  ASN  65          HD21      ASN  65  -8.046   1.682   2.216
  487   HD22  ASN  65          HD22      ASN  65  -9.191   2.980   2.310
  488    H    HIS  66           HN       HIS  66  -2.619   4.109   4.598
  489    HA   HIS  66           HA       HIS  66  -1.367   2.158   2.870
  490    HB2  HIS  66           HB2      HIS  66   0.781   3.082   4.000
  491    HB3  HIS  66           HB1      HIS  66  -0.084   4.048   2.826
  492    HD1  HIS  66           HD1      HIS  66  -1.538   3.957   6.253
  493    HD2  HIS  66           HD2      HIS  66   1.053   6.334   4.032
  494    HE1  HIS  66           HE1      HIS  66  -1.421   6.147   7.464
  495    HE2  HIS  66           HE2      HIS  66  -0.063   7.643   5.965
  496    H    TYR  67           HN       TYR  67  -1.584   0.179   3.459
  497    HA   TYR  67           HA       TYR  67  -0.926  -0.637   6.221
  498    HB2  TYR  67           HB2      TYR  67  -3.036  -1.531   5.384
  499    HB3  TYR  67           HB1      TYR  67  -2.239  -2.142   3.942
  500    HD1  TYR  67           HD1      TYR  67  -2.573  -2.594   7.593
  501    HD2  TYR  67           HD2      TYR  67  -1.137  -4.252   3.948
  502    HE1  TYR  67           HE1      TYR  67  -2.203  -4.743   8.726
  503    HE2  TYR  67           HE2      TYR  67  -0.762  -6.407   5.071
  504    HH   TYR  67           HH       TYR  67  -2.015  -7.126   8.146
  505    H    CYS  68           HN       CYS  68   0.642  -2.399   6.527
  506    HA   CYS  68           HA       CYS  68   2.544  -2.566   4.289
  507    HB2  CYS  68           HB2      CYS  68   3.582  -2.351   7.087
  508    HB3  CYS  68           HB1      CYS  68   4.357  -1.922   5.573
  509    H    CYS  69           HN       CYS  69   3.471  -4.481   3.948
  510    HA   CYS  69           HA       CYS  69   3.235  -6.623   5.983
  511    HB2  CYS  69           HB2      CYS  69   3.073  -6.780   2.976
  512    HB3  CYS  69           HB1      CYS  69   3.405  -8.184   3.970
  513    H    ASP  70           HN       ASP  70   5.106  -7.842   6.333
  514    HA   ASP  70           HA       ASP  70   7.548  -6.658   5.209
  515    HB2  ASP  70           HB2      ASP  70   8.709  -7.523   7.114
  516    HB3  ASP  70           HB1      ASP  70   7.221  -6.795   7.709
  517    H    SER  71           HN       SER  71   5.764  -8.725   3.925
  518    HA   SER  71           HA       SER  71   7.826 -10.734   3.386
  519    HB2  SER  71           HB2      SER  71   4.912 -11.412   3.875
  520    HB3  SER  71           HB1      SER  71   6.201 -12.550   3.481
  521    HG   SER  71           HG       SER  71   7.201 -11.541   5.513
  522    H    HIS  72           HN       HIS  72   7.981 -11.303   1.264
  523    HA   HIS  72           HA       HIS  72   6.890  -9.593  -0.656
  524    HB2  HIS  72           HB2      HIS  72   8.000 -10.881  -2.300
  525    HB3  HIS  72           HB1      HIS  72   9.013 -10.967  -0.867
  526    HD1  HIS  72           HD1      HIS  72   7.927 -13.026  -3.482
  527    HD2  HIS  72           HD2      HIS  72   8.196 -13.556   0.641
  528    HE1  HIS  72           HE1      HIS  72   7.932 -15.515  -3.114
  529    HE2  HIS  72           HE2      HIS  72   7.975 -15.815  -0.614
  530    H    LEU  73           HN       LEU  73   5.218  -9.684  -2.005
  531    HA   LEU  73           HA       LEU  73   3.240 -10.269  -2.948
  532    HB2  LEU  73           HB2      LEU  73   4.017 -13.104  -2.270
  533    HB3  LEU  73           HB1      LEU  73   2.778 -12.614  -3.409
  534    HG   LEU  73           HG       LEU  73   5.758 -12.320  -3.686
  535   HD11  LEU  73          HD11      LEU  73   3.659 -13.726  -5.318
  536   HD12  LEU  73          HD12      LEU  73   4.860 -14.482  -4.271
  537   HD13  LEU  73          HD13      LEU  73   5.374 -13.624  -5.723
  538   HD21  LEU  73          HD21      LEU  73   3.592 -11.108  -5.396
  539   HD22  LEU  73          HD22      LEU  73   5.296 -11.206  -5.839
  540   HD23  LEU  73          HD23      LEU  73   4.804 -10.245  -4.445
  541    H    CYS  74           HN       CYS  74   3.008  -9.326  -0.485
  542    HA   CYS  74           HA       CYS  74   1.207 -11.147   0.966
  543    HB2  CYS  74           HB2      CYS  74   2.942 -10.176   2.372
  544    HB3  CYS  74           HB1      CYS  74   2.488  -8.553   1.862
  545    H    ASN  75           HN       ASN  75   1.392  -7.994  -0.593
  546    HA   ASN  75           HA       ASN  75  -1.348  -7.412   0.091
  547    HB2  ASN  75           HB2      ASN  75  -1.037  -5.307  -1.074
  548    HB3  ASN  75           HB1      ASN  75   0.307  -5.598   0.012
  549   HD21  ASN  75          HD21      ASN  75  -0.312  -6.713  -3.327
  550   HD22  ASN  75          HD22      ASN  75   1.122  -6.003  -3.980
  551    H    HIS  76           HN       HIS  76  -0.308  -9.656  -1.789
  552    HA   HIS  76           HA       HIS  76  -1.771  -9.055  -4.216
  553    HB2  HIS  76           HB2      HIS  76   0.362 -10.315  -4.290
  554    HB3  HIS  76           HB1      HIS  76  -0.382 -11.602  -3.351
  555    HD1  HIS  76           HD1      HIS  76  -0.969 -13.509  -4.765
  556    HD2  HIS  76           HD2      HIS  76  -1.410  -9.916  -6.808
  557    HE1  HIS  76           HE1      HIS  76  -1.696 -14.137  -7.089
  558    HE2  HIS  76           HE2      HIS  76  -2.143 -11.946  -8.243
  559    H    ASN  77           HN       ASN  77  -2.933  -9.388  -1.438
  560    HA   ASN  77           HA       ASN  77  -5.365 -10.671  -2.076
  561    HB2  ASN  77           HB2      ASN  77  -5.220 -12.548  -0.425
  562    HB3  ASN  77           HB1      ASN  77  -4.164 -12.757  -1.814
  563   HD21  ASN  77          HD21      ASN  77  -1.988 -12.887  -1.511
  564   HD22  ASN  77          HD22      ASN  77  -1.235 -12.875   0.050
  565    H    VAL  78           HN       VAL  78  -4.914  -8.181  -1.155
  566    HA   VAL  78           HA       VAL  78  -5.338  -8.325   1.773
  567    HB   VAL  78           HB       VAL  78  -3.141  -7.419   1.220
  568   HG11  VAL  78          HG11      VAL  78  -4.661  -5.280  -0.254
  569   HG12  VAL  78          HG12      VAL  78  -3.658  -6.538  -0.981
  570   HG13  VAL  78          HG13      VAL  78  -2.921  -5.301   0.038
  571   HG21  VAL  78          HG21      VAL  78  -3.292  -5.297   2.463
  572   HG22  VAL  78          HG22      VAL  78  -4.215  -6.590   3.229
  573   HG23  VAL  78          HG23      VAL  78  -5.048  -5.342   2.300
  574    H    SER  79           HN       SER  79  -7.010  -7.229   2.665
  575    HA   SER  79           HA       SER  79  -8.470  -5.317   0.965
  576    HB2  SER  79           HB2      SER  79  -9.560  -6.557   3.488
  577    HB3  SER  79           HB1      SER  79 -10.450  -5.758   2.195
  578    HG   SER  79           HG       SER  79  -9.979  -7.516   0.843
  579    H    LEU  80           HN       LEU  80  -7.559  -3.419   1.377
  580    HA   LEU  80           HA       LEU  80  -7.184  -2.594   4.162
  581    HB2  LEU  80           HB2      LEU  80  -5.544  -1.004   3.438
  582    HB3  LEU  80           HB1      LEU  80  -5.105  -2.609   2.922
  583    HG   LEU  80           HG       LEU  80  -4.504  -0.970   1.273
  584   HD11  LEU  80          HD11      LEU  80  -5.499  -3.279   0.608
  585   HD12  LEU  80          HD12      LEU  80  -5.097  -2.068  -0.604
  586   HD13  LEU  80          HD13      LEU  80  -6.772  -2.274  -0.101
  587   HD21  LEU  80          HD21      LEU  80  -6.092   0.746   1.730
  588   HD22  LEU  80          HD22      LEU  80  -7.401  -0.267   1.125
  589   HD23  LEU  80          HD23      LEU  80  -6.149   0.310   0.021
  590    H    VAL  81           HN       VAL  81  -9.406  -2.644   2.220
  591    HA   VAL  81           HA       VAL  81 -10.038  -0.315   0.993
  592    HB   VAL  81           HB       VAL  81 -11.104  -2.579   0.822
  593   HG11  VAL  81          HG11      VAL  81 -13.114  -2.991   2.167
  594   HG12  VAL  81          HG12      VAL  81 -12.707  -1.593   3.166
  595   HG13  VAL  81          HG13      VAL  81 -11.628  -2.990   3.117
  596   HG21  VAL  81          HG21      VAL  81 -13.281  -1.705   0.103
  597   HG22  VAL  81          HG22      VAL  81 -11.954  -0.675  -0.431
  598   HG23  VAL  81          HG23      VAL  81 -12.947  -0.190   0.943
  599    H    LEU  82           HN       LEU  82  -9.983  -0.654   4.356
  600    HA   LEU  82           HA       LEU  82 -11.075   0.290   6.152
  601    HB2  LEU  82           HB2      LEU  82 -10.394   2.569   4.331
  602    HB3  LEU  82           HB1      LEU  82 -11.236   2.874   5.836
  603    HG   LEU  82           HG       LEU  82  -8.451   1.802   5.446
  604   HD11  LEU  82          HD11      LEU  82  -8.658   4.218   5.429
  605   HD12  LEU  82          HD12      LEU  82  -7.882   3.699   6.926
  606   HD13  LEU  82          HD13      LEU  82  -9.580   4.175   6.934
  607   HD21  LEU  82          HD21      LEU  82 -10.108   1.796   7.964
  608   HD22  LEU  82          HD22      LEU  82  -8.362   1.564   7.915
  609   HD23  LEU  82          HD23      LEU  82  -9.427   0.395   7.132
  610    H    GLU  83           HN       GLU  83 -12.894  -0.797   4.252
  611    HA   GLU  83           HA       GLU  83 -15.276   0.799   4.771
  612    HB2  GLU  83           HB2      GLU  83 -14.098   1.308   2.457
  613    HB3  GLU  83           HB1      GLU  83 -14.830  -0.222   1.983
  614    HG2  GLU  83           HG2      GLU  83 -16.347   1.426   1.302
  615    HG3  GLU  83           HG1      GLU  83 -17.038   0.724   2.764
  616    H    ALA  84           HN       ALA  84 -14.449  -1.514   5.949
  617    HA   ALA  84           HA       ALA  84 -16.174  -3.534   5.883
  618    HB1  ALA  84           HB1      ALA  84 -14.210  -4.069   3.642
  619    HB2  ALA  84           HB2      ALA  84 -15.945  -3.803   3.457
  620    HB3  ALA  84           HB3      ALA  84 -15.357  -5.235   4.303
  621    H    THR  85           HN       THR  85 -15.438  -4.146   7.878
  622    HA   THR  85           HA       THR  85 -12.552  -4.685   8.078
  623    HB   THR  85           HB       THR  85 -13.112  -2.841   9.480
  624    HG1  THR  85           HG1      THR  85 -12.805  -4.158  11.654
  625   HG21  THR  85          HG21      THR  85 -15.498  -3.198   9.771
  626   HG22  THR  85          HG22      THR  85 -14.714  -3.004  11.339
  627   HG23  THR  85          HG23      THR  85 -15.183  -4.611  10.781
  628    H    GLN  86           HN       GLN  86 -13.044  -6.764   7.193
  629    HA   GLN  86           HA       GLN  86 -13.444  -8.681   9.357
  630    HB2  GLN  86           HB2      GLN  86 -14.790 -10.112   7.847
  631    HB3  GLN  86           HB1      GLN  86 -15.590  -8.575   8.151
  632    HG2  GLN  86           HG2      GLN  86 -14.645  -7.764   5.974
  633    HG3  GLN  86           HG1      GLN  86 -14.109  -9.416   5.673
  634   HE21  GLN  86          HE21      GLN  86 -17.093  -8.560   7.298
  635   HE22  GLN  86          HE22      GLN  86 -18.151  -9.146   6.059
  636    HA   PRO  87           HA       PRO  87  -9.813 -10.864   8.025
  637    HB2  PRO  87           HB2      PRO  87 -11.659 -12.907   6.828
  638    HB3  PRO  87           HB1      PRO  87 -10.176 -13.148   7.761
  639    HG2  PRO  87           HG2      PRO  87 -12.577 -13.370   8.914
  640    HG3  PRO  87           HG1      PRO  87 -11.202 -12.656   9.777
  641    HD2  PRO  87           HD2      PRO  87 -13.626 -11.353   8.707
  642    HD3  PRO  87           HD1      PRO  87 -12.517 -10.806   9.979
  643    HA   PRO  88           HA       PRO  88 -10.127  -8.918   3.939
  644    HB2  PRO  88           HB2      PRO  88  -7.215  -8.660   4.226
  645    HB3  PRO  88           HB1      PRO  88  -8.447  -7.404   3.992
  646    HG2  PRO  88           HG2      PRO  88  -7.151  -7.793   6.349
  647    HG3  PRO  88           HG1      PRO  88  -8.805  -7.170   6.246
  648    HD2  PRO  88           HD2      PRO  88  -7.834  -9.850   6.994
  649    HD3  PRO  88           HD1      PRO  88  -9.232  -8.944   7.582
  650    H    SER  89           HN       SER  89  -9.722  -9.541   1.914
  651    HA   SER  89           HA       SER  89  -7.656 -11.358   1.142
  652    HB2  SER  89           HB2      SER  89 -10.523 -12.333   0.934
  653    HB3  SER  89           HB1      SER  89  -9.102 -13.155   0.298
  654    HG   SER  89           HG       SER  89  -8.751 -12.627   2.907
  655    H    GLU  90           HN       GLU  90  -7.309  -9.411  -0.078
  656    HA   GLU  90           HA       GLU  90  -7.355  -8.102  -1.909
  657    HB2  GLU  90           HB2      GLU  90  -8.923 -10.443  -2.899
  658    HB3  GLU  90           HB1      GLU  90  -8.824  -8.989  -3.883
  659    HG2  GLU  90           HG2      GLU  90  -6.479 -10.566  -2.853
  660    HG3  GLU  90           HG1      GLU  90  -7.118 -10.617  -4.497
  661    H    GLN  91           HN       GLN  91  -9.073  -6.989  -3.532
  662    HA   GLN  91           HA       GLN  91 -10.648  -5.455  -1.728
  663    HB2  GLN  91           HB2      GLN  91 -11.254  -4.105  -3.614
  664    HB3  GLN  91           HB1      GLN  91  -9.552  -4.514  -3.754
  665    HG2  GLN  91           HG2      GLN  91 -10.042  -6.186  -5.417
  666    HG3  GLN  91           HG1      GLN  91 -11.774  -5.917  -5.220
  667   HE21  GLN  91          HE21      GLN  91  -8.819  -4.707  -6.537
  668   HE22  GLN  91          HE22      GLN  91  -9.522  -3.462  -7.507
  669    HA   PRO  92           HA       PRO  92 -14.406  -7.799  -2.276
  670    HB2  PRO  92           HB2      PRO  92 -15.701  -6.406  -0.235
  671    HB3  PRO  92           HB1      PRO  92 -14.733  -7.863  -0.025
  672    HG2  PRO  92           HG2      PRO  92 -14.144  -5.253   0.922
  673    HG3  PRO  92           HG1      PRO  92 -13.111  -6.687   1.012
  674    HD2  PRO  92           HD2      PRO  92 -13.044  -4.427  -0.905
  675    HD3  PRO  92           HD1      PRO  92 -11.730  -5.494  -0.368
  676    H    GLY  93           HN       GLY  93 -16.857  -6.933  -2.022
  677    HA2  GLY  93           HA2      GLY  93 -17.275  -5.126  -4.189
  678    HA3  GLY  93           HA1      GLY  93 -18.519  -5.797  -3.150
  679    H    THR  94           HN       THR  94 -16.211  -4.330  -1.258
  680    HA   THR  94           HA       THR  94 -16.119  -2.408  -0.029
  681    HB   THR  94           HB       THR  94 -17.576  -1.073  -2.329
  682    HG1  THR  94           HG1      THR  94 -15.860  -1.962  -3.349
  683   HG21  THR  94          HG21      THR  94 -15.576  -0.032  -0.316
  684   HG22  THR  94          HG22      THR  94 -17.298   0.349  -0.370
  685   HG23  THR  94          HG23      THR  94 -16.233   0.891  -1.669
  686    H    ASP  95           HN       ASP  95 -18.270  -4.240   0.281
  687    HA   ASP  95           HA       ASP  95 -20.579  -2.528   0.875
  688    HB2  ASP  95           HB2      ASP  95 -20.974  -4.397  -0.708
  689    HB3  ASP  95           HB1      ASP  95 -20.476  -5.536   0.537
  690    H    GLY  96           HN       GLY  96 -21.429  -2.501   2.916
  691    HA2  GLY  96           HA2      GLY  96 -21.425  -3.817   5.106
  692    HA3  GLY  96           HA1      GLY  96 -19.675  -3.679   4.972
  693    H    GLN  97           HN       GLN  97 -20.345  -0.962   3.666
  694    HA   GLN  97           HA       GLN  97 -21.124   0.556   6.030
  695    HB2  GLN  97           HB2      GLN  97 -18.670   0.403   6.120
  696    HB3  GLN  97           HB1      GLN  97 -18.562   1.045   4.488
  697    HG2  GLN  97           HG2      GLN  97 -18.057   2.766   6.094
  698    HG3  GLN  97           HG1      GLN  97 -19.559   3.148   5.256
  699   HE21  GLN  97          HE21      GLN  97 -20.248   4.503   6.875
  700   HE22  GLN  97          HE22      GLN  97 -20.781   3.927   8.420
  Start of MODEL   11
    1    H    ASP   1           HN       ASP   1  22.722   1.271   8.710
    2    HA   ASP   1           HA       ASP   1  24.129   2.178   6.416
    3    HB2  ASP   1           HB2      ASP   1  21.299   1.118   6.600
    4    HB3  ASP   1           HB1      ASP   1  22.286   1.209   5.145
    5    HA   PRO   2           HA       PRO   2  22.067   6.152   6.362
    6    HB2  PRO   2           HB2      PRO   2  23.734   6.905   4.149
    7    HB3  PRO   2           HB1      PRO   2  23.878   7.400   5.835
    8    HG2  PRO   2           HG2      PRO   2  25.691   5.795   4.512
    9    HG3  PRO   2           HG1      PRO   2  25.491   5.849   6.272
   10    HD2  PRO   2           HD2      PRO   2  24.437   3.862   4.300
   11    HD3  PRO   2           HD1      PRO   2  25.071   3.597   5.940
   12    H    VAL   3           HN       VAL   3  21.551   3.673   4.497
   13    HA   VAL   3           HA       VAL   3  20.124   5.168   2.389
   14    HB   VAL   3           HB       VAL   3  20.739   2.249   2.107
   15   HG11  VAL   3          HG11      VAL   3  20.699   2.775  -0.272
   16   HG12  VAL   3          HG12      VAL   3  20.482   4.486   0.099
   17   HG13  VAL   3          HG13      VAL   3  19.222   3.323   0.520
   18   HG21  VAL   3          HG21      VAL   3  22.832   2.771   0.948
   19   HG22  VAL   3          HG22      VAL   3  22.891   3.199   2.658
   20   HG23  VAL   3          HG23      VAL   3  22.675   4.458   1.441
   21    H    LYS   4           HN       LYS   4  19.351   4.410   5.165
   22    HA   LYS   4           HA       LYS   4  17.414   3.865   6.227
   23    HB2  LYS   4           HB2      LYS   4  16.350   3.079   3.513
   24    HB3  LYS   4           HB1      LYS   4  15.404   3.315   4.971
   25    HG2  LYS   4           HG2      LYS   4  16.945   5.446   3.516
   26    HG3  LYS   4           HG1      LYS   4  15.201   5.177   3.424
   27    HD2  LYS   4           HD2      LYS   4  15.083   5.562   5.883
   28    HD3  LYS   4           HD1      LYS   4  16.803   5.954   5.867
   29    HE2  LYS   4           HE2      LYS   4  15.605   8.007   5.828
   30    HE3  LYS   4           HE1      LYS   4  16.284   7.765   4.219
   31    HZ1  LYS   4           HZ1      LYS   4  13.496   7.073   4.961
   32    HZ2  LYS   4           HZ2      LYS   4  14.164   7.089   3.404
   33    HZ3  LYS   4           HZ3      LYS   4  13.942   8.541   4.243
   34    HA   PRO   5           HA       PRO   5  17.623  -0.609   6.634
   35    HB2  PRO   5           HB2      PRO   5  15.391  -0.636   8.422
   36    HB3  PRO   5           HB1      PRO   5  17.105  -0.660   8.841
   37    HG2  PRO   5           HG2      PRO   5  15.366   1.427   9.390
   38    HG3  PRO   5           HG1      PRO   5  17.131   1.562   9.326
   39    HD2  PRO   5           HD2      PRO   5  15.096   2.274   7.254
   40    HD3  PRO   5           HD1      PRO   5  16.601   3.111   7.694
   41    H    SER   6           HN       SER   6  16.066   0.583   4.483
   42    HA   SER   6           HA       SER   6  13.771  -1.232   4.344
   43    HB2  SER   6           HB2      SER   6  12.730   0.601   2.875
   44    HB3  SER   6           HB1      SER   6  12.750   0.844   4.622
   45    HG   SER   6           HG       SER   6  13.826   2.588   4.253
   46    H    ARG   7           HN       ARG   7  15.895   0.721   2.300
   47    HA   ARG   7           HA       ARG   7  15.495  -0.667  -0.038
   48    HB2  ARG   7           HB2      ARG   7  17.037   0.713  -0.899
   49    HB3  ARG   7           HB1      ARG   7  17.057   1.444   0.696
   50    HG2  ARG   7           HG2      ARG   7  18.937  -0.725  -0.215
   51    HG3  ARG   7           HG1      ARG   7  19.303   1.000  -0.231
   52    HD2  ARG   7           HD2      ARG   7  19.175   1.129   2.140
   53    HD3  ARG   7           HD1      ARG   7  18.500  -0.497   2.252
   54    HE   ARG   7           HE       ARG   7  21.003  -0.644   1.000
   55   HH11  ARG   7          HH11      ARG   7  19.569   0.006   4.126
   56   HH12  ARG   7          HH12      ARG   7  20.968  -0.522   5.009
   57   HH21  ARG   7          HH21      ARG   7  22.859  -1.305   2.160
   58   HH22  ARG   7          HH22      ARG   7  22.847  -1.230   3.906
   59    H    GLY   8           HN       GLY   8  16.777  -1.921   2.739
   60    HA2  GLY   8           HA2      GLY   8  18.883  -3.573   1.740
   61    HA3  GLY   8           HA1      GLY   8  18.110  -3.714   3.310
   62    HA   PRO   9           HA       PRO   9  15.975  -7.298   1.822
   63    HB2  PRO   9           HB2      PRO   9  13.513  -6.643   3.211
   64    HB3  PRO   9           HB1      PRO   9  14.724  -7.856   3.626
   65    HG2  PRO   9           HG2      PRO   9  14.281  -5.604   5.105
   66    HG3  PRO   9           HG1      PRO   9  15.846  -6.436   5.035
   67    HD2  PRO   9           HD2      PRO   9  14.938  -3.976   3.591
   68    HD3  PRO   9           HD1      PRO   9  16.512  -4.329   4.338
   69    H    LEU  10           HN       LEU  10  15.429  -7.267  -0.298
   70    HA   LEU  10           HA       LEU  10  13.575  -5.272  -1.272
   71    HB2  LEU  10           HB2      LEU  10  15.098  -7.423  -2.723
   72    HB3  LEU  10           HB1      LEU  10  14.086  -6.218  -3.491
   73    HG   LEU  10           HG       LEU  10  16.589  -5.640  -1.901
   74   HD11  LEU  10          HD11      LEU  10  16.076  -5.529  -4.868
   75   HD12  LEU  10          HD12      LEU  10  17.070  -6.721  -4.029
   76   HD13  LEU  10          HD13      LEU  10  17.557  -5.025  -4.052
   77   HD21  LEU  10          HD21      LEU  10  14.783  -3.812  -3.480
   78   HD22  LEU  10          HD22      LEU  10  16.320  -3.357  -2.745
   79   HD23  LEU  10          HD23      LEU  10  14.966  -3.841  -1.725
   80    H    VAL  11           HN       VAL  11  11.573  -5.711  -0.737
   81    HA   VAL  11           HA       VAL  11  10.479  -8.379  -1.164
   82    HB   VAL  11           HB       VAL  11   9.359  -5.962   0.263
   83   HG11  VAL  11          HG11      VAL  11   7.485  -7.387   0.922
   84   HG12  VAL  11          HG12      VAL  11   8.112  -8.687  -0.092
   85   HG13  VAL  11          HG13      VAL  11   7.551  -7.185  -0.828
   86   HG21  VAL  11          HG21      VAL  11  10.287  -8.650   1.262
   87   HG22  VAL  11          HG22      VAL  11   9.542  -7.391   2.250
   88   HG23  VAL  11          HG23      VAL  11  11.107  -7.105   1.488
   89    H    THR  12           HN       THR  12   9.714  -8.723  -3.142
   90    HA   THR  12           HA       THR  12   8.429  -6.639  -4.660
   91    HB   THR  12           HB       THR  12   9.102  -9.497  -5.158
   92    HG1  THR  12           HG1      THR  12   9.816  -8.526  -7.142
   93   HG21  THR  12          HG21      THR  12   6.712  -9.424  -5.704
   94   HG22  THR  12          HG22      THR  12   7.693  -9.579  -7.166
   95   HG23  THR  12          HG23      THR  12   6.990  -8.018  -6.735
   96    H    CYS  13           HN       CYS  13   6.283  -6.396  -4.990
   97    HA   CYS  13           HA       CYS  13   4.436  -8.391  -3.944
   98    HB2  CYS  13           HB2      CYS  13   4.930  -6.020  -2.558
   99    HB3  CYS  13           HB1      CYS  13   3.463  -5.683  -3.464
  100    H    THR  14           HN       THR  14   2.222  -7.999  -4.840
  101    HA   THR  14           HA       THR  14   2.210  -7.391  -7.578
  102    HB   THR  14           HB       THR  14  -0.098  -7.262  -5.621
  103    HG1  THR  14           HG1      THR  14   1.240  -9.356  -6.931
  104   HG21  THR  14          HG21      THR  14  -1.521  -7.647  -7.586
  105   HG22  THR  14          HG22      THR  14  -0.100  -7.585  -8.630
  106   HG23  THR  14          HG23      THR  14  -0.610  -6.144  -7.748
  107    H    CYS  15           HN       CYS  15   1.839  -5.453  -8.672
  108    HA   CYS  15           HA       CYS  15   1.689  -3.095  -6.955
  109    HB2  CYS  15           HB2      CYS  15   3.812  -3.795  -8.881
  110    HB3  CYS  15           HB1      CYS  15   3.223  -2.148  -8.983
  111    H    GLU  16           HN       GLU  16   0.414  -1.461  -7.671
  112    HA   GLU  16           HA       GLU  16  -0.637  -1.479 -10.349
  113    HB2  GLU  16           HB2      GLU  16  -1.956  -3.242  -9.147
  114    HB3  GLU  16           HB1      GLU  16  -2.515  -2.001  -8.034
  115    HG2  GLU  16           HG2      GLU  16  -3.833  -0.973  -9.639
  116    HG3  GLU  16           HG1      GLU  16  -2.956  -1.715 -10.977
  117    H    SER  17           HN       SER  17   0.259   0.575 -10.365
  118    HA   SER  17           HA       SER  17   0.161   2.835 -10.368
  119    HB2  SER  17           HB2      SER  17  -2.561   2.018  -9.671
  120    HB3  SER  17           HB1      SER  17  -2.120   3.684  -9.308
  121    HG   SER  17           HG       SER  17  -2.084   4.119 -11.391
  122    HA   PRO  18           HA       PRO  18   0.187   3.600  -5.719
  123    HB2  PRO  18           HB2      PRO  18   1.778   1.719  -4.505
  124    HB3  PRO  18           HB1      PRO  18   0.035   1.548  -4.730
  125    HG2  PRO  18           HG2      PRO  18   2.149   0.036  -5.935
  126    HG3  PRO  18           HG1      PRO  18   0.404  -0.155  -6.158
  127    HD2  PRO  18           HD2      PRO  18   2.380   1.264  -7.846
  128    HD3  PRO  18           HD1      PRO  18   0.819   0.538  -8.290
  129    H    HIS  19           HN       HIS  19   3.136   1.865  -5.693
  130    HA   HIS  19           HA       HIS  19   4.735   4.323  -5.766
  131    HB2  HIS  19           HB2      HIS  19   6.188   2.044  -4.783
  132    HB3  HIS  19           HB1      HIS  19   5.797   3.538  -3.933
  133    HD1  HIS  19           HD1      HIS  19   4.624   0.018  -4.391
  134    HD2  HIS  19           HD2      HIS  19   3.578   3.389  -2.244
  135    HE1  HIS  19           HE1      HIS  19   2.848  -0.725  -2.776
  136    HE2  HIS  19           HE2      HIS  19   2.469   1.268  -1.297
  137    H    CYS  20           HN       CYS  20   3.574   2.103  -7.644
  138    HA   CYS  20           HA       CYS  20   5.951   1.738  -9.258
  139    HB2  CYS  20           HB2      CYS  20   4.445  -0.623  -9.315
  140    HB3  CYS  20           HB1      CYS  20   6.078  -0.447  -8.687
  141    H    LYS  21           HN       LYS  21   5.126   2.914 -10.974
  142    HA   LYS  21           HA       LYS  21   2.404   2.434 -11.860
  143    HB2  LYS  21           HB2      LYS  21   4.659   4.181 -12.796
  144    HB3  LYS  21           HB1      LYS  21   3.329   3.840 -13.894
  145    HG2  LYS  21           HG2      LYS  21   3.029   5.956 -12.680
  146    HG3  LYS  21           HG1      LYS  21   1.746   4.798 -12.336
  147    HD2  LYS  21           HD2      LYS  21   2.925   4.183 -10.242
  148    HD3  LYS  21           HD1      LYS  21   4.118   5.437 -10.582
  149    HE2  LYS  21           HE2      LYS  21   1.161   5.931 -10.253
  150    HE3  LYS  21           HE1      LYS  21   2.357   6.132  -8.973
  151    HZ1  LYS  21           HZ1      LYS  21   3.478   7.787 -10.392
  152    HZ2  LYS  21           HZ2      LYS  21   1.904   8.243  -9.974
  153    HZ3  LYS  21           HZ3      LYS  21   2.226   7.645 -11.528
  154    H    GLY  22           HN       GLY  22   3.875   0.234 -11.544
  155    HA2  GLY  22           HA2      GLY  22   3.801  -1.108 -14.053
  156    HA3  GLY  22           HA1      GLY  22   5.438  -0.918 -13.413
  157    HA   PRO  23           HA       PRO  23   1.816  -3.650 -10.940
  158    HB2  PRO  23           HB2      PRO  23   2.564  -5.356 -13.282
  159    HB3  PRO  23           HB1      PRO  23   1.112  -5.435 -12.268
  160    HG2  PRO  23           HG2      PRO  23   1.105  -4.069 -14.560
  161    HG3  PRO  23           HG1      PRO  23   0.236  -3.483 -13.132
  162    HD2  PRO  23           HD2      PRO  23   2.612  -2.370 -14.427
  163    HD3  PRO  23           HD1      PRO  23   1.552  -1.626 -13.199
  164    H    THR  24           HN       THR  24   5.165  -3.963 -11.519
  165    HA   THR  24           HA       THR  24   5.143  -5.577  -9.111
  166    HB   THR  24           HB       THR  24   7.238  -6.740 -10.039
  167    HG1  THR  24           HG1      THR  24   5.834  -6.142 -12.450
  168   HG21  THR  24          HG21      THR  24   4.501  -7.600 -10.955
  169   HG22  THR  24          HG22      THR  24   5.210  -7.921  -9.373
  170   HG23  THR  24          HG23      THR  24   5.914  -8.645 -10.818
  171    H    CYS  25           HN       CYS  25   6.909  -5.183  -7.710
  172    HA   CYS  25           HA       CYS  25   9.215  -3.720  -8.617
  173    HB2  CYS  25           HB2      CYS  25   8.927  -1.735  -7.303
  174    HB3  CYS  25           HB1      CYS  25   7.459  -1.945  -8.263
  175    H    ARG  26           HN       ARG  26  10.973  -4.151  -7.344
  176    HA   ARG  26           HA       ARG  26  10.564  -5.501  -4.786
  177    HB2  ARG  26           HB2      ARG  26  13.080  -4.924  -6.352
  178    HB3  ARG  26           HB1      ARG  26  13.059  -5.684  -4.763
  179    HG2  ARG  26           HG2      ARG  26  11.611  -7.464  -5.728
  180    HG3  ARG  26           HG1      ARG  26  11.884  -6.743  -7.315
  181    HD2  ARG  26           HD2      ARG  26  14.290  -7.096  -7.055
  182    HD3  ARG  26           HD1      ARG  26  14.013  -7.819  -5.468
  183    HE   ARG  26           HE       ARG  26  12.802  -8.985  -7.883
  184   HH11  ARG  26          HH11      ARG  26  14.973  -9.269  -5.145
  185   HH12  ARG  26          HH12      ARG  26  15.094 -11.002  -5.256
  186   HH21  ARG  26          HH21      ARG  26  12.957 -11.242  -8.045
  187   HH22  ARG  26          HH22      ARG  26  13.959 -12.125  -6.925
  188    H    GLY  27           HN       GLY  27  10.087  -4.136  -3.220
  189    HA2  GLY  27           HA2      GLY  27  11.792  -1.740  -2.907
  190    HA3  GLY  27           HA1      GLY  27  10.140  -1.884  -2.321
  191    H    ALA  28           HN       ALA  28  10.074  -1.957  -0.267
  192    HA   ALA  28           HA       ALA  28  12.286  -3.219   1.240
  193    HB1  ALA  28           HB1      ALA  28  11.676  -1.829   3.093
  194    HB2  ALA  28           HB2      ALA  28  10.188  -1.316   2.282
  195    HB3  ALA  28           HB3      ALA  28  11.764  -0.798   1.661
  196    H    TRP  29           HN       TRP  29   8.883  -3.016   0.800
  197    HA   TRP  29           HA       TRP  29   8.256  -5.556   1.791
  198    HB2  TRP  29           HB2      TRP  29   6.858  -4.633   3.763
  199    HB3  TRP  29           HB1      TRP  29   8.594  -4.794   4.005
  200    HD1  TRP  29           HD1      TRP  29   6.705  -1.875   2.309
  201    HE1  TRP  29           HE1      TRP  29   7.289   0.286   3.536
  202    HE3  TRP  29           HE3      TRP  29   9.626  -3.825   6.010
  203    HZ2  TRP  29           HZ2      TRP  29   8.810   1.090   5.775
  204    HZ3  TRP  29           HZ3      TRP  29  10.622  -2.288   7.650
  205    HH2  TRP  29           HH2      TRP  29  10.226   0.118   7.535
  206    H    CYS  30           HN       CYS  30   5.671  -5.412   2.298
  207    HA   CYS  30           HA       CYS  30   4.665  -4.322  -0.217
  208    HB2  CYS  30           HB2      CYS  30   3.428  -6.196   1.806
  209    HB3  CYS  30           HB1      CYS  30   2.607  -5.634   0.357
  210    H    THR  31           HN       THR  31   3.733  -2.339  -0.209
  211    HA   THR  31           HA       THR  31   2.115  -1.675   2.156
  212    HB   THR  31           HB       THR  31   2.527   0.751   1.558
  213    HG1  THR  31           HG1      THR  31   4.863   0.691   0.526
  214   HG21  THR  31          HG21      THR  31   4.676   0.845   2.740
  215   HG22  THR  31          HG22      THR  31   4.879  -0.891   2.501
  216   HG23  THR  31          HG23      THR  31   3.559  -0.286   3.503
  217    H    VAL  32           HN       VAL  32   0.076  -1.087   1.800
  218    HA   VAL  32           HA       VAL  32  -0.724  -0.643  -0.995
  219    HB   VAL  32           HB       VAL  32  -2.961  -1.578  -0.361
  220   HG11  VAL  32          HG11      VAL  32  -1.399  -2.862  -1.652
  221   HG12  VAL  32          HG12      VAL  32  -2.202  -3.916  -0.493
  222   HG13  VAL  32          HG13      VAL  32  -0.552  -3.371  -0.191
  223   HG21  VAL  32          HG21      VAL  32  -3.056  -3.067   1.586
  224   HG22  VAL  32          HG22      VAL  32  -2.831  -1.377   2.037
  225   HG23  VAL  32          HG23      VAL  32  -1.464  -2.493   2.085
  226    H    VAL  33           HN       VAL  33  -2.511   0.729  -1.313
  227    HA   VAL  33           HA       VAL  33  -3.229   2.538   0.827
  228    HB   VAL  33           HB       VAL  33  -2.488   4.382  -1.068
  229   HG11  VAL  33          HG11      VAL  33  -0.904   3.500   1.327
  230   HG12  VAL  33          HG12      VAL  33  -2.265   4.621   1.342
  231   HG13  VAL  33          HG13      VAL  33  -0.770   5.059   0.516
  232   HG21  VAL  33          HG21      VAL  33  -1.178   2.656  -2.261
  233   HG22  VAL  33          HG22      VAL  33  -0.202   2.444  -0.802
  234   HG23  VAL  33          HG23      VAL  33  -0.187   3.986  -1.658
  235    H    LEU  34           HN       LEU  34  -5.317   2.904   0.585
  236    HA   LEU  34           HA       LEU  34  -6.619   2.640  -1.983
  237    HB2  LEU  34           HB2      LEU  34  -7.826   1.814  -0.082
  238    HB3  LEU  34           HB1      LEU  34  -7.648   3.342   0.773
  239    HG   LEU  34           HG       LEU  34  -9.020   4.376  -1.140
  240   HD11  LEU  34          HD11      LEU  34  -8.780   2.599  -2.749
  241   HD12  LEU  34          HD12      LEU  34 -10.483   2.800  -2.339
  242   HD13  LEU  34          HD13      LEU  34  -9.565   1.459  -1.658
  243   HD21  LEU  34          HD21      LEU  34 -11.147   3.681  -0.161
  244   HD22  LEU  34          HD22      LEU  34  -9.939   4.040   1.074
  245   HD23  LEU  34          HD23      LEU  34 -10.327   2.364   0.680
  246    H    VAL  35           HN       VAL  35  -6.874   4.294  -3.376
  247    HA   VAL  35           HA       VAL  35  -6.745   7.035  -2.350
  248    HB   VAL  35           HB       VAL  35  -7.114   6.137  -5.216
  249   HG11  VAL  35          HG11      VAL  35  -6.348   8.402  -5.757
  250   HG12  VAL  35          HG12      VAL  35  -6.266   8.780  -4.036
  251   HG13  VAL  35          HG13      VAL  35  -7.822   8.426  -4.786
  252   HG21  VAL  35          HG21      VAL  35  -4.576   6.851  -3.751
  253   HG22  VAL  35          HG22      VAL  35  -4.711   6.611  -5.492
  254   HG23  VAL  35          HG23      VAL  35  -5.010   5.266  -4.392
  255    H    ARG  36           HN       ARG  36  -8.651   7.631  -1.398
  256    HA   ARG  36           HA       ARG  36 -11.103   6.404  -1.941
  257    HB2  ARG  36           HB2      ARG  36 -10.456   7.612   0.148
  258    HB3  ARG  36           HB1      ARG  36 -10.687   9.127  -0.714
  259    HG2  ARG  36           HG2      ARG  36 -12.650   8.704   0.539
  260    HG3  ARG  36           HG1      ARG  36 -13.035   8.411  -1.161
  261    HD2  ARG  36           HD2      ARG  36 -12.673   5.994  -0.792
  262    HD3  ARG  36           HD1      ARG  36 -12.383   6.325   0.916
  263    HE   ARG  36           HE       ARG  36 -14.931   7.160  -0.272
  264   HH11  ARG  36          HH11      ARG  36 -13.166   5.081   1.922
  265   HH12  ARG  36          HH12      ARG  36 -14.589   4.497   2.729
  266   HH21  ARG  36          HH21      ARG  36 -16.811   6.430   0.796
  267   HH22  ARG  36          HH22      ARG  36 -16.669   5.281   2.100
  268    H    GLU  37           HN       GLU  37 -12.232   6.522  -3.707
  269    HA   GLU  37           HA       GLU  37 -13.014   7.187  -5.725
  270    HB2  GLU  37           HB2      GLU  37 -14.761   7.733  -4.262
  271    HB3  GLU  37           HB1      GLU  37 -13.970   9.206  -3.730
  272    HG2  GLU  37           HG2      GLU  37 -14.383  10.202  -5.916
  273    HG3  GLU  37           HG1      GLU  37 -15.138   8.702  -6.459
  274    H    GLU  38           HN       GLU  38 -10.917   7.525  -6.613
  275    HA   GLU  38           HA       GLU  38 -10.006  10.267  -6.905
  276    HB2  GLU  38           HB2      GLU  38  -8.496   8.204  -6.605
  277    HB3  GLU  38           HB1      GLU  38  -8.880   7.819  -8.273
  278    HG2  GLU  38           HG2      GLU  38  -7.723  10.475  -7.514
  279    HG3  GLU  38           HG1      GLU  38  -6.701   9.061  -7.761
  280    H    GLY  39           HN       GLY  39 -11.590  11.263  -8.104
  281    HA2  GLY  39           HA2      GLY  39 -12.333  12.034 -10.172
  282    HA3  GLY  39           HA1      GLY  39 -11.583  10.643 -10.937
  283    H    ARG  40           HN       ARG  40 -12.888   8.652  -9.297
  284    HA   ARG  40           HA       ARG  40 -15.709   9.029  -9.801
  285    HB2  ARG  40           HB2      ARG  40 -15.073   8.232 -11.930
  286    HB3  ARG  40           HB1      ARG  40 -13.988   7.029 -11.245
  287    HG2  ARG  40           HG2      ARG  40 -16.021   6.024 -12.118
  288    HG3  ARG  40           HG1      ARG  40 -15.859   5.797 -10.374
  289    HD2  ARG  40           HD2      ARG  40 -17.416   7.596  -9.952
  290    HD3  ARG  40           HD1      ARG  40 -17.535   7.937 -11.681
  291    HE   ARG  40           HE       ARG  40 -18.285   5.344 -11.518
  292   HH11  ARG  40          HH11      ARG  40 -19.328   8.283  -9.902
  293   HH12  ARG  40          HH12      ARG  40 -20.941   7.688  -9.602
  294   HH21  ARG  40          HH21      ARG  40 -20.396   4.573 -11.117
  295   HH22  ARG  40          HH22      ARG  40 -21.540   5.587 -10.293
  296    H    HIS  41           HN       HIS  41 -13.304   6.476  -8.968
  297    HA   HIS  41           HA       HIS  41 -14.975   5.855  -6.635
  298    HB2  HIS  41           HB2      HIS  41 -14.969   3.494  -7.059
  299    HB3  HIS  41           HB1      HIS  41 -15.618   4.308  -8.473
  300    HD1  HIS  41           HD1      HIS  41 -12.920   2.026  -7.388
  301    HD2  HIS  41           HD2      HIS  41 -13.851   4.312 -10.738
  302    HE1  HIS  41           HE1      HIS  41 -11.447   1.163  -9.225
  303    HE2  HIS  41           HE2      HIS  41 -11.868   2.706 -11.174
  304    HA   PRO  42           HA       PRO  42 -11.214   5.273  -4.363
  305    HB2  PRO  42           HB2      PRO  42 -12.291   2.708  -3.352
  306    HB3  PRO  42           HB1      PRO  42 -11.783   4.142  -2.456
  307    HG2  PRO  42           HG2      PRO  42 -14.364   3.522  -2.701
  308    HG3  PRO  42           HG1      PRO  42 -13.813   5.209  -2.743
  309    HD2  PRO  42           HD2      PRO  42 -14.612   3.415  -5.005
  310    HD3  PRO  42           HD1      PRO  42 -14.967   5.139  -4.753
  311    H    GLN  43           HN       GLN  43  -9.272   4.424  -4.864
  312    HA   GLN  43           HA       GLN  43  -9.262   2.017  -6.563
  313    HB2  GLN  43           HB2      GLN  43  -7.547   4.492  -6.734
  314    HB3  GLN  43           HB1      GLN  43  -7.222   3.015  -7.632
  315    HG2  GLN  43           HG2      GLN  43  -9.311   3.212  -8.804
  316    HG3  GLN  43           HG1      GLN  43  -9.768   4.603  -7.824
  317   HE21  GLN  43          HE21      GLN  43 -10.007   5.907  -9.593
  318   HE22  GLN  43          HE22      GLN  43  -8.666   6.505 -10.512
  319    H    GLU  44           HN       GLU  44  -8.285   0.361  -5.728
  320    HA   GLU  44           HA       GLU  44  -6.585   0.567  -3.410
  321    HB2  GLU  44           HB2      GLU  44  -7.028  -1.929  -5.042
  322    HB3  GLU  44           HB1      GLU  44  -6.691  -1.792  -3.323
  323    HG2  GLU  44           HG2      GLU  44  -8.907  -2.313  -3.265
  324    HG3  GLU  44           HG1      GLU  44  -9.003  -0.553  -3.289
  325    H    HIS  45           HN       HIS  45  -4.595   1.417  -3.832
  326    HA   HIS  45           HA       HIS  45  -3.109   0.271  -6.091
  327    HB2  HIS  45           HB2      HIS  45  -2.662   2.865  -4.590
  328    HB3  HIS  45           HB1      HIS  45  -1.574   2.243  -5.820
  329    HD1  HIS  45           HD1      HIS  45  -2.728   4.918  -6.453
  330    HD2  HIS  45           HD2      HIS  45  -4.701   1.380  -7.399
  331    HE1  HIS  45           HE1      HIS  45  -4.347   5.506  -8.279
  332    HE2  HIS  45           HE2      HIS  45  -5.370   3.309  -8.976
  333    H    ARG  46           HN       ARG  46  -1.506  -1.092  -5.727
  334    HA   ARG  46           HA       ARG  46  -0.650  -1.534  -2.942
  335    HB2  ARG  46           HB2      ARG  46  -0.922  -4.029  -3.535
  336    HB3  ARG  46           HB1      ARG  46  -2.383  -3.102  -3.209
  337    HG2  ARG  46           HG2      ARG  46  -2.612  -2.779  -5.685
  338    HG3  ARG  46           HG1      ARG  46  -1.290  -3.926  -5.887
  339    HD2  ARG  46           HD2      ARG  46  -2.550  -5.697  -4.995
  340    HD3  ARG  46           HD1      ARG  46  -3.759  -4.604  -4.320
  341    HE   ARG  46           HE       ARG  46  -3.749  -4.221  -7.075
  342   HH11  ARG  46          HH11      ARG  46  -4.489  -6.809  -4.833
  343   HH12  ARG  46          HH12      ARG  46  -5.727  -7.492  -5.836
  344   HH21  ARG  46          HH21      ARG  46  -5.357  -5.105  -8.399
  345   HH22  ARG  46          HH22      ARG  46  -6.216  -6.534  -7.878
  346    H    GLY  47           HN       GLY  47   1.438  -2.439  -2.667
  347    HA2  GLY  47           HA2      GLY  47   2.964  -3.779  -4.551
  348    HA3  GLY  47           HA1      GLY  47   3.249  -2.074  -4.869
  349    H    CYS  48           HN       CYS  48   5.397  -1.984  -4.254
  350    HA   CYS  48           HA       CYS  48   6.041  -2.853  -1.535
  351    HB2  CYS  48           HB2      CYS  48   8.319  -3.078  -2.269
  352    HB3  CYS  48           HB1      CYS  48   7.296  -3.919  -3.422
  353    H    GLY  49           HN       GLY  49   6.493  -1.331  -0.077
  354    HA2  GLY  49           HA2      GLY  49   7.012   1.412  -1.026
  355    HA3  GLY  49           HA1      GLY  49   6.491   0.973   0.601
  356    H    ASN  50           HN       ASN  50   9.053   2.239  -0.859
  357    HA   ASN  50           HA       ASN  50  11.001   0.359   0.250
  358    HB2  ASN  50           HB2      ASN  50  11.524   2.795  -1.467
  359    HB3  ASN  50           HB1      ASN  50  12.726   1.629  -0.922
  360   HD21  ASN  50          HD21      ASN  50   9.504   0.804  -2.105
  361   HD22  ASN  50          HD22      ASN  50  10.048   0.008  -3.540
  362    H    LEU  51           HN       LEU  51  11.504   3.822  -0.052
  363    HA   LEU  51           HA       LEU  51  12.939   3.588   2.481
  364    HB2  LEU  51           HB2      LEU  51  13.098   5.760   0.395
  365    HB3  LEU  51           HB1      LEU  51  14.227   5.462   1.702
  366    HG   LEU  51           HG       LEU  51  13.755   3.485  -0.537
  367   HD11  LEU  51          HD11      LEU  51  15.848   4.325  -1.498
  368   HD12  LEU  51          HD12      LEU  51  15.901   5.603  -0.282
  369   HD13  LEU  51          HD13      LEU  51  14.602   5.573  -1.477
  370   HD21  LEU  51          HD21      LEU  51  15.967   3.792   1.491
  371   HD22  LEU  51          HD22      LEU  51  15.886   2.576   0.216
  372   HD23  LEU  51          HD23      LEU  51  14.696   2.571   1.518
  373    H    HIS  52           HN       HIS  52   9.937   4.342   1.952
  374    HA   HIS  52           HA       HIS  52   9.979   6.680   3.738
  375    HB2  HIS  52           HB2      HIS  52   8.214   6.194   1.344
  376    HB3  HIS  52           HB1      HIS  52   7.755   7.315   2.621
  377    HD1  HIS  52           HD1      HIS  52   8.482   9.659   2.258
  378    HD2  HIS  52           HD2      HIS  52  10.869   6.948   0.189
  379    HE1  HIS  52           HE1      HIS  52  10.089  11.049   0.911
  380    HE2  HIS  52           HE2      HIS  52  11.410   9.392  -0.455
  381    H    ARG  53           HN       ARG  53   9.299   6.072   5.654
  382    HA   ARG  53           HA       ARG  53   7.558   3.812   6.023
  383    HB2  ARG  53           HB2      ARG  53   9.391   4.377   7.613
  384    HB3  ARG  53           HB1      ARG  53   8.523   5.841   8.054
  385    HG2  ARG  53           HG2      ARG  53   8.171   4.127   9.717
  386    HG3  ARG  53           HG1      ARG  53   6.657   4.470   8.877
  387    HD2  ARG  53           HD2      ARG  53   7.156   2.498   7.397
  388    HD3  ARG  53           HD1      ARG  53   8.492   2.111   8.480
  389    HE   ARG  53           HE       ARG  53   6.057   2.403   9.922
  390   HH11  ARG  53          HH11      ARG  53   7.806   0.173   7.865
  391   HH12  ARG  53          HH12      ARG  53   6.986  -1.237   8.464
  392   HH21  ARG  53          HH21      ARG  53   4.975   0.571  10.709
  393   HH22  ARG  53          HH22      ARG  53   5.363  -1.002  10.079
  394    H    GLU  54           HN       GLU  54   7.135   7.098   5.368
  395    HA   GLU  54           HA       GLU  54   4.699   7.650   6.651
  396    HB2  GLU  54           HB2      GLU  54   4.362   9.350   4.924
  397    HB3  GLU  54           HB1      GLU  54   6.017   9.380   5.516
  398    HG2  GLU  54           HG2      GLU  54   6.737   8.124   3.541
  399    HG3  GLU  54           HG1      GLU  54   5.080   8.131   2.944
  400    H    LEU  55           HN       LEU  55   5.489   5.570   4.041
  401    HA   LEU  55           HA       LEU  55   2.875   5.335   2.925
  402    HB2  LEU  55           HB2      LEU  55   5.235   3.454   2.789
  403    HB3  LEU  55           HB1      LEU  55   3.786   3.331   1.809
  404    HG   LEU  55           HG       LEU  55   5.743   5.633   1.738
  405   HD11  LEU  55          HD11      LEU  55   6.707   3.607   0.817
  406   HD12  LEU  55          HD12      LEU  55   6.352   4.765  -0.463
  407   HD13  LEU  55          HD13      LEU  55   5.290   3.380  -0.208
  408   HD21  LEU  55          HD21      LEU  55   3.473   6.333   1.198
  409   HD22  LEU  55          HD22      LEU  55   3.338   5.031   0.017
  410   HD23  LEU  55          HD23      LEU  55   4.490   6.340  -0.243
  411    H    CYS  56           HN       CYS  56   3.918   4.603   5.916
  412    HA   CYS  56           HA       CYS  56   1.753   2.637   6.206
  413    HB2  CYS  56           HB2      CYS  56   4.440   2.654   7.584
  414    HB3  CYS  56           HB1      CYS  56   3.077   1.694   8.145
  415    H    ARG  57           HN       ARG  57   2.635   5.726   6.862
  416    HA   ARG  57           HA       ARG  57   0.950   6.028   9.109
  417    HB2  ARG  57           HB2      ARG  57   2.733   5.101  10.413
  418    HB3  ARG  57           HB1      ARG  57   3.926   6.108   9.601
  419    HG2  ARG  57           HG2      ARG  57   2.805   8.108  10.571
  420    HG3  ARG  57           HG1      ARG  57   1.766   7.017  11.489
  421    HD2  ARG  57           HD2      ARG  57   3.602   6.160  12.712
  422    HD3  ARG  57           HD1      ARG  57   4.768   6.929  11.634
  423    HE   ARG  57           HE       ARG  57   3.146   8.914  12.790
  424   HH11  ARG  57          HH11      ARG  57   5.580   6.581  13.719
  425   HH12  ARG  57          HH12      ARG  57   6.250   7.585  14.974
  426   HH21  ARG  57          HH21      ARG  57   4.018  10.244  14.453
  427   HH22  ARG  57          HH22      ARG  57   5.374   9.667  15.385
  428    H    GLY  58           HN       GLY  58   0.082   7.921   8.785
  429    HA2  GLY  58           HA2      GLY  58   1.809  10.242   8.519
  430    HA3  GLY  58           HA1      GLY  58   0.656   9.981   7.210
  431    H    ARG  59           HN       ARG  59  -1.373  10.622   7.459
  432    HA   ARG  59           HA       ARG  59  -2.528  10.871  10.115
  433    HB2  ARG  59           HB2      ARG  59  -2.492  13.148   8.115
  434    HB3  ARG  59           HB1      ARG  59  -3.455  13.118   9.584
  435    HG2  ARG  59           HG2      ARG  59  -1.324  12.957  10.880
  436    HG3  ARG  59           HG1      ARG  59  -0.456  13.200   9.363
  437    HD2  ARG  59           HD2      ARG  59  -0.649  15.307  10.514
  438    HD3  ARG  59           HD1      ARG  59  -1.651  15.340   9.062
  439    HE   ARG  59           HE       ARG  59  -3.112  14.515  11.379
  440   HH11  ARG  59          HH11      ARG  59  -1.862  17.291   9.660
  441   HH12  ARG  59          HH12      ARG  59  -3.068  18.384  10.266
  442   HH21  ARG  59          HH21      ARG  59  -4.706  15.929  12.187
  443   HH22  ARG  59          HH22      ARG  59  -4.679  17.611  11.747
  444    HA   PRO  60           HA       PRO  60  -6.252   9.366   8.039
  445    HB2  PRO  60           HB2      PRO  60  -7.587  11.663   9.406
  446    HB3  PRO  60           HB1      PRO  60  -8.054   9.959   9.354
  447    HG2  PRO  60           HG2      PRO  60  -6.935  11.001  11.537
  448    HG3  PRO  60           HG1      PRO  60  -6.553   9.354  11.003
  449    HD2  PRO  60           HD2      PRO  60  -4.919  11.838  10.807
  450    HD3  PRO  60           HD1      PRO  60  -4.399  10.157  11.034
  451    H    THR  61           HN       THR  61  -6.192   9.836   5.906
  452    HA   THR  61           HA       THR  61  -5.750  12.593   5.083
  453    HB   THR  61           HB       THR  61  -5.844  10.445   3.051
  454    HG1  THR  61           HG1      THR  61  -4.076  10.422   5.282
  455   HG21  THR  61          HG21      THR  61  -3.743  12.497   3.774
  456   HG22  THR  61          HG22      THR  61  -5.021  12.734   2.585
  457   HG23  THR  61          HG23      THR  61  -3.782  11.511   2.312
  458    H    GLU  62           HN       GLU  62  -6.800  12.076   2.386
  459    HA   GLU  62           HA       GLU  62  -9.347  13.126   2.576
  460    HB2  GLU  62           HB2      GLU  62  -8.231  11.415   0.343
  461    HB3  GLU  62           HB1      GLU  62  -9.613  12.499   0.217
  462    HG2  GLU  62           HG2      GLU  62  -8.138  14.396   0.763
  463    HG3  GLU  62           HG1      GLU  62  -6.765  13.293   0.786
  464    H    PHE  63           HN       PHE  63  -8.324   9.771   2.249
  465    HA   PHE  63           HA       PHE  63  -9.808   8.668   4.187
  466    HB2  PHE  63           HB2      PHE  63 -11.526   9.019   1.808
  467    HB3  PHE  63           HB1      PHE  63 -11.564   7.427   2.562
  468    HD1  PHE  63           HD1      PHE  63 -10.803   8.963   5.309
  469    HD2  PHE  63           HD2      PHE  63 -13.911   9.112   2.429
  470    HE1  PHE  63           HE1      PHE  63 -12.363   9.800   7.042
  471    HE2  PHE  63           HE2      PHE  63 -15.483   9.938   4.122
  472    HZ   PHE  63           HZ       PHE  63 -14.598  10.366   6.504
  473    H    VAL  64           HN       VAL  64  -7.415   8.247   3.209
  474    HA   VAL  64           HA       VAL  64  -7.478   5.858   1.564
  475    HB   VAL  64           HB       VAL  64  -5.214   6.135   1.210
  476   HG11  VAL  64          HG11      VAL  64  -6.557   7.740  -0.029
  477   HG12  VAL  64          HG12      VAL  64  -4.992   8.448   0.375
  478   HG13  VAL  64          HG13      VAL  64  -6.427   8.896   1.298
  479   HG21  VAL  64          HG21      VAL  64  -3.789   7.756   2.386
  480   HG22  VAL  64          HG22      VAL  64  -4.471   6.550   3.477
  481   HG23  VAL  64          HG23      VAL  64  -5.154   8.174   3.420
  482    H    ASN  65           HN       ASN  65  -5.351   4.469   2.260
  483    HA   ASN  65           HA       ASN  65  -5.024   4.117   5.060
  484    HB2  ASN  65           HB2      ASN  65  -6.055   2.031   5.395
  485    HB3  ASN  65           HB1      ASN  65  -7.239   2.938   4.487
  486   HD21  ASN  65          HD21      ASN  65  -5.545   0.065   4.702
  487   HD22  ASN  65          HD22      ASN  65  -5.932  -0.559   3.137
  488    H    HIS  66           HN       HIS  66  -2.883   3.878   5.107
  489    HA   HIS  66           HA       HIS  66  -1.653   2.323   2.966
  490    HB2  HIS  66           HB2      HIS  66   0.514   3.284   4.047
  491    HB3  HIS  66           HB1      HIS  66  -0.483   4.293   3.015
  492    HD1  HIS  66           HD1      HIS  66  -1.090   3.597   6.701
  493    HD2  HIS  66           HD2      HIS  66  -0.045   6.702   4.152
  494    HE1  HIS  66           HE1      HIS  66  -1.259   5.696   8.084
  495    HE2  HIS  66           HE2      HIS  66  -0.783   7.581   6.464
  496    H    TYR  67           HN       TYR  67  -1.658   0.300   3.388
  497    HA   TYR  67           HA       TYR  67  -1.014  -0.635   6.126
  498    HB2  TYR  67           HB2      TYR  67  -3.165  -1.411   5.268
  499    HB3  TYR  67           HB1      TYR  67  -2.393  -2.026   3.815
  500    HD1  TYR  67           HD1      TYR  67  -2.752  -2.537   7.457
  501    HD2  TYR  67           HD2      TYR  67  -1.378  -4.183   3.782
  502    HE1  TYR  67           HE1      TYR  67  -2.478  -4.720   8.548
  503    HE2  TYR  67           HE2      TYR  67  -1.098  -6.373   4.864
  504    HH   TYR  67           HH       TYR  67  -2.289  -7.014   8.059
  505    H    CYS  68           HN       CYS  68   0.491  -2.459   6.352
  506    HA   CYS  68           HA       CYS  68   2.193  -2.880   4.017
  507    HB2  CYS  68           HB2      CYS  68   4.007  -2.742   6.128
  508    HB3  CYS  68           HB1      CYS  68   3.833  -1.615   4.789
  509    H    CYS  69           HN       CYS  69   3.177  -4.766   3.863
  510    HA   CYS  69           HA       CYS  69   2.922  -6.720   6.064
  511    HB2  CYS  69           HB2      CYS  69   2.851  -7.067   3.080
  512    HB3  CYS  69           HB1      CYS  69   3.310  -8.397   4.128
  513    H    ASP  70           HN       ASP  70   4.754  -7.927   6.559
  514    HA   ASP  70           HA       ASP  70   7.265  -6.780   5.593
  515    HB2  ASP  70           HB2      ASP  70   6.710  -8.621   7.937
  516    HB3  ASP  70           HB1      ASP  70   8.290  -7.967   7.519
  517    H    SER  71           HN       SER  71   5.652  -8.679   3.993
  518    HA   SER  71           HA       SER  71   7.727 -10.677   3.526
  519    HB2  SER  71           HB2      SER  71   4.805 -11.428   3.831
  520    HB3  SER  71           HB1      SER  71   6.145 -12.523   3.493
  521    HG   SER  71           HG       SER  71   6.588 -12.586   5.549
  522    H    HIS  72           HN       HIS  72   7.824 -11.390   1.389
  523    HA   HIS  72           HA       HIS  72   6.922  -9.607  -0.583
  524    HB2  HIS  72           HB2      HIS  72   7.903 -11.081  -2.191
  525    HB3  HIS  72           HB1      HIS  72   8.922 -11.134  -0.759
  526    HD1  HIS  72           HD1      HIS  72   7.841 -13.318  -3.224
  527    HD2  HIS  72           HD2      HIS  72   7.801 -13.539   0.936
  528    HE1  HIS  72           HE1      HIS  72   7.660 -15.769  -2.669
  529    HE2  HIS  72           HE2      HIS  72   7.728 -15.888  -0.149
  530    H    LEU  73           HN       LEU  73   5.221  -9.597  -1.943
  531    HA   LEU  73           HA       LEU  73   3.281 -10.124  -2.994
  532    HB2  LEU  73           HB2      LEU  73   3.936 -12.977  -2.265
  533    HB3  LEU  73           HB1      LEU  73   2.764 -12.461  -3.461
  534    HG   LEU  73           HG       LEU  73   5.764 -12.254  -3.611
  535   HD11  LEU  73          HD11      LEU  73   3.705 -13.598  -5.358
  536   HD12  LEU  73          HD12      LEU  73   4.778 -14.400  -4.209
  537   HD13  LEU  73          HD13      LEU  73   5.451 -13.590  -5.626
  538   HD21  LEU  73          HD21      LEU  73   4.834 -10.158  -4.422
  539   HD22  LEU  73          HD22      LEU  73   3.718 -11.036  -5.469
  540   HD23  LEU  73          HD23      LEU  73   5.455 -11.121  -5.761
  541    H    CYS  74           HN       CYS  74   3.283  -9.576  -0.114
  542    HA   CYS  74           HA       CYS  74   1.221 -11.316   0.970
  543    HB2  CYS  74           HB2      CYS  74   2.946 -10.562   2.511
  544    HB3  CYS  74           HB1      CYS  74   2.571  -8.881   2.153
  545    H    ASN  75           HN       ASN  75   1.575  -7.995  -0.187
  546    HA   ASN  75           HA       ASN  75  -1.240  -7.498   0.339
  547    HB2  ASN  75           HB2      ASN  75   1.055  -5.767  -0.493
  548    HB3  ASN  75           HB1      ASN  75  -0.601  -5.218  -0.743
  549   HD21  ASN  75          HD21      ASN  75   1.222  -3.943   0.953
  550   HD22  ASN  75          HD22      ASN  75   0.640  -4.079   2.573
  551    H    HIS  76           HN       HIS  76  -0.072  -9.376  -1.739
  552    HA   HIS  76           HA       HIS  76  -1.006  -8.473  -4.249
  553    HB2  HIS  76           HB2      HIS  76   0.379 -10.382  -4.342
  554    HB3  HIS  76           HB1      HIS  76  -0.493 -11.187  -3.045
  555    HD1  HIS  76           HD1      HIS  76  -0.781 -10.402  -6.729
  556    HD2  HIS  76           HD2      HIS  76  -2.587 -12.783  -3.842
  557    HE1  HIS  76           HE1      HIS  76  -2.349 -11.922  -7.982
  558    HE2  HIS  76           HE2      HIS  76  -3.607 -13.163  -6.183
  559    H    ASN  77           HN       ASN  77  -2.419 -10.089  -1.521
  560    HA   ASN  77           HA       ASN  77  -5.062 -10.153  -2.821
  561    HB2  ASN  77           HB2      ASN  77  -5.424 -12.056  -1.131
  562    HB3  ASN  77           HB1      ASN  77  -4.352 -12.384  -2.490
  563   HD21  ASN  77          HD21      ASN  77  -4.536 -11.785   0.932
  564   HD22  ASN  77          HD22      ASN  77  -2.931 -12.306   1.317
  565    H    VAL  78           HN       VAL  78  -4.235  -7.851  -1.543
  566    HA   VAL  78           HA       VAL  78  -5.343  -7.938   1.171
  567    HB   VAL  78           HB       VAL  78  -3.059  -6.966   0.664
  568   HG11  VAL  78          HG11      VAL  78  -3.705  -5.808  -1.398
  569   HG12  VAL  78          HG12      VAL  78  -2.961  -4.716  -0.230
  570   HG13  VAL  78          HG13      VAL  78  -4.711  -4.705  -0.452
  571   HG21  VAL  78          HG21      VAL  78  -3.374  -4.978   2.144
  572   HG22  VAL  78          HG22      VAL  78  -4.072  -6.471   2.779
  573   HG23  VAL  78          HG23      VAL  78  -5.114  -5.249   2.048
  574    H    SER  79           HN       SER  79  -6.647  -6.034   1.816
  575    HA   SER  79           HA       SER  79  -8.390  -5.074  -0.337
  576    HB2  SER  79           HB2      SER  79  -8.756  -5.204   2.669
  577    HB3  SER  79           HB1      SER  79  -9.906  -4.444   1.579
  578    HG   SER  79           HG       SER  79 -10.290  -6.724   2.193
  579    H    LEU  80           HN       LEU  80  -8.930  -2.759  -0.316
  580    HA   LEU  80           HA       LEU  80  -7.122  -1.104   1.280
  581    HB2  LEU  80           HB2      LEU  80  -7.538  -1.016  -1.666
  582    HB3  LEU  80           HB1      LEU  80  -7.303   0.498  -0.814
  583    HG   LEU  80           HG       LEU  80  -5.165  -0.046  -1.524
  584   HD11  LEU  80          HD11      LEU  80  -5.167  -1.355   1.169
  585   HD12  LEU  80          HD12      LEU  80  -5.453   0.374   0.965
  586   HD13  LEU  80          HD13      LEU  80  -3.929  -0.338   0.432
  587   HD21  LEU  80          HD21      LEU  80  -5.429  -2.885  -0.568
  588   HD22  LEU  80          HD22      LEU  80  -4.231  -2.203  -1.672
  589   HD23  LEU  80          HD23      LEU  80  -5.901  -2.396  -2.192
  590    H    VAL  81           HN       VAL  81  -8.595  -0.418   2.706
  591    HA   VAL  81           HA       VAL  81  -9.790   1.984   2.010
  592    HB   VAL  81           HB       VAL  81 -11.574   0.815   0.937
  593   HG11  VAL  81          HG11      VAL  81 -12.957  -0.887   2.002
  594   HG12  VAL  81          HG12      VAL  81 -11.972  -0.794   3.463
  595   HG13  VAL  81          HG13      VAL  81 -11.271  -1.401   1.962
  596   HG21  VAL  81          HG21      VAL  81 -12.433   1.712   3.669
  597   HG22  VAL  81          HG22      VAL  81 -13.508   1.505   2.284
  598   HG23  VAL  81          HG23      VAL  81 -12.234   2.725   2.242
  599    H    LEU  82           HN       LEU  82  -8.858   2.791   3.732
  600    HA   LEU  82           HA       LEU  82  -8.595   3.543   5.852
  601    HB2  LEU  82           HB2      LEU  82 -11.508   2.911   5.681
  602    HB3  LEU  82           HB1      LEU  82 -10.822   3.653   7.115
  603    HG   LEU  82           HG       LEU  82 -10.597   4.827   4.342
  604   HD11  LEU  82          HD11      LEU  82 -12.316   6.397   5.004
  605   HD12  LEU  82          HD12      LEU  82 -12.479   5.597   6.568
  606   HD13  LEU  82          HD13      LEU  82 -12.939   4.749   5.091
  607   HD21  LEU  82          HD21      LEU  82 -10.050   5.988   7.073
  608   HD22  LEU  82          HD22      LEU  82  -9.928   6.848   5.537
  609   HD23  LEU  82          HD23      LEU  82  -8.833   5.510   5.887
  610    H    GLU  83           HN       GLU  83  -8.368   0.485   5.491
  611    HA   GLU  83           HA       GLU  83  -7.548  -0.078   8.099
  612    HB2  GLU  83           HB2      GLU  83 -10.084  -0.163   8.399
  613    HB3  GLU  83           HB1      GLU  83 -10.038  -1.612   7.403
  614    HG2  GLU  83           HG2      GLU  83  -8.084  -2.009   9.351
  615    HG3  GLU  83           HG1      GLU  83  -9.444  -1.274  10.197
  616    H    ALA  84           HN       ALA  84  -9.196  -2.646   6.756
  617    HA   ALA  84           HA       ALA  84  -8.707  -4.445   5.457
  618    HB1  ALA  84           HB1      ALA  84  -8.046  -2.831   3.742
  619    HB2  ALA  84           HB2      ALA  84  -7.045  -4.283   3.705
  620    HB3  ALA  84           HB3      ALA  84  -6.414  -2.794   4.412
  621    H    THR  85           HN       THR  85  -7.744  -4.158   8.121
  622    HA   THR  85           HA       THR  85  -5.175  -5.589   7.990
  623    HB   THR  85           HB       THR  85  -5.185  -3.401   9.228
  624    HG1  THR  85           HG1      THR  85  -4.410  -4.657  11.316
  625   HG21  THR  85          HG21      THR  85  -7.432  -3.547  10.200
  626   HG22  THR  85          HG22      THR  85  -6.208  -3.304  11.446
  627   HG23  THR  85          HG23      THR  85  -6.912  -4.903  11.201
  628    H    GLN  86           HN       GLN  86  -8.172  -6.422   7.892
  629    HA   GLN  86           HA       GLN  86  -7.834  -8.682   9.682
  630    HB2  GLN  86           HB2      GLN  86 -10.299  -6.931   9.663
  631    HB3  GLN  86           HB1      GLN  86 -10.252  -8.540  10.366
  632    HG2  GLN  86           HG2      GLN  86  -8.437  -6.310  11.233
  633    HG3  GLN  86           HG1      GLN  86 -10.006  -6.621  11.966
  634   HE21  GLN  86          HE21      GLN  86  -7.878  -9.171  10.850
  635   HE22  GLN  86          HE22      GLN  86  -7.469  -9.776  12.418
  636    HA   PRO  87           HA       PRO  87 -10.480 -10.031   6.041
  637    HB2  PRO  87           HB2      PRO  87 -12.494  -8.493   5.140
  638    HB3  PRO  87           HB1      PRO  87 -12.553  -9.274   6.724
  639    HG2  PRO  87           HG2      PRO  87 -12.304  -6.433   6.086
  640    HG3  PRO  87           HG1      PRO  87 -12.662  -7.197   7.641
  641    HD2  PRO  87           HD2      PRO  87 -10.083  -6.244   6.578
  642    HD3  PRO  87           HD1      PRO  87 -10.551  -6.596   8.257
  643    HA   PRO  88           HA       PRO  88  -8.292  -7.575   2.669
  644    HB2  PRO  88           HB2      PRO  88  -6.687 -10.028   2.452
  645    HB3  PRO  88           HB1      PRO  88  -6.158  -8.345   2.568
  646    HG2  PRO  88           HG2      PRO  88  -5.834 -10.034   4.616
  647    HG3  PRO  88           HG1      PRO  88  -6.275  -8.337   4.885
  648    HD2  PRO  88           HD2      PRO  88  -7.998 -10.762   4.880
  649    HD3  PRO  88           HD1      PRO  88  -7.923  -9.426   6.050
  650    H    SER  89           HN       SER  89  -7.993  -8.372   0.376
  651    HA   SER  89           HA       SER  89 -10.478  -9.569  -0.371
  652    HB2  SER  89           HB2      SER  89  -8.191  -8.653  -2.120
  653    HB3  SER  89           HB1      SER  89  -9.846  -8.974  -2.642
  654    HG   SER  89           HG       SER  89  -9.790  -7.241  -0.559
  655    H    GLU  90           HN       GLU  90  -7.603 -10.971   0.476
  656    HA   GLU  90           HA       GLU  90  -7.281 -13.066  -1.344
  657    HB2  GLU  90           HB2      GLU  90  -5.806 -12.601   0.632
  658    HB3  GLU  90           HB1      GLU  90  -7.054 -13.281   1.666
  659    HG2  GLU  90           HG2      GLU  90  -6.854 -15.397   0.301
  660    HG3  GLU  90           HG1      GLU  90  -5.407 -14.690  -0.413
  661    H    GLN  91           HN       GLN  91  -9.501 -12.708   1.362
  662    HA   GLN  91           HA       GLN  91 -10.820 -15.222   0.616
  663    HB2  GLN  91           HB2      GLN  91 -11.828 -15.152   2.866
  664    HB3  GLN  91           HB1      GLN  91 -10.072 -15.145   2.944
  665    HG2  GLN  91           HG2      GLN  91 -10.114 -12.715   3.303
  666    HG3  GLN  91           HG1      GLN  91 -11.875 -12.758   3.271
  667   HE21  GLN  91          HE21      GLN  91  -9.906 -15.252   4.723
  668   HE22  GLN  91          HE22      GLN  91 -10.357 -14.921   6.355
  669    HA   PRO  92           HA       PRO  92 -14.446 -13.069  -0.782
  670    HB2  PRO  92           HB2      PRO  92 -16.100 -14.760   1.001
  671    HB3  PRO  92           HB1      PRO  92 -16.173 -14.566  -0.753
  672    HG2  PRO  92           HG2      PRO  92 -15.196 -16.794   0.349
  673    HG3  PRO  92           HG1      PRO  92 -14.490 -16.108  -1.129
  674    HD2  PRO  92           HD2      PRO  92 -13.494 -15.970   1.692
  675    HD3  PRO  92           HD1      PRO  92 -12.583 -16.190   0.184
  676    H    GLY  93           HN       GLY  93 -14.428 -11.042   0.049
  677    HA2  GLY  93           HA2      GLY  93 -16.207 -10.051   1.803
  678    HA3  GLY  93           HA1      GLY  93 -14.911 -10.579   2.869
  679    H    THR  94           HN       THR  94 -15.752  -7.930   2.643
  680    HA   THR  94           HA       THR  94 -13.261  -6.636   2.083
  681    HB   THR  94           HB       THR  94 -15.661  -5.805   0.416
  682    HG1  THR  94           HG1      THR  94 -13.688  -7.600  -0.057
  683   HG21  THR  94          HG21      THR  94 -14.267  -3.916   1.123
  684   HG22  THR  94          HG22      THR  94 -14.120  -4.205  -0.612
  685   HG23  THR  94          HG23      THR  94 -12.839  -4.729   0.483
  686    H    ASP  95           HN       ASP  95 -13.226  -5.778   4.095
  687    HA   ASP  95           HA       ASP  95 -15.468  -4.063   4.878
  688    HB2  ASP  95           HB2      ASP  95 -15.808  -6.251   5.954
  689    HB3  ASP  95           HB1      ASP  95 -14.198  -6.163   6.651
  690    H    GLY  96           HN       GLY  96 -14.928  -2.558   6.578
  691    HA2  GLY  96           HA2      GLY  96 -12.538  -1.980   7.720
  692    HA3  GLY  96           HA1      GLY  96 -12.349  -1.373   6.077
  693    H    GLN  97           HN       GLN  97 -12.186   0.749   6.919
  694    HA   GLN  97           HA       GLN  97 -12.877   2.733   7.801
  695    HB2  GLN  97           HB2      GLN  97 -14.864   3.645   6.567
  696    HB3  GLN  97           HB1      GLN  97 -13.576   3.003   5.560
  697    HG2  GLN  97           HG2      GLN  97 -14.874   0.956   5.219
  698    HG3  GLN  97           HG1      GLN  97 -16.164   1.615   6.223
  699   HE21  GLN  97          HE21      GLN  97 -17.666   1.560   4.590
  700   HE22  GLN  97          HE22      GLN  97 -17.622   2.644   3.243
  Start of MODEL   12
    1    H    ASP   1           HN       ASP   1  25.438   1.211   7.380
    2    HA   ASP   1           HA       ASP   1  23.101   1.447   9.017
    3    HB2  ASP   1           HB2      ASP   1  25.270   3.427   8.307
    4    HB3  ASP   1           HB1      ASP   1  23.938   3.800   9.397
    5    HA   PRO   2           HA       PRO   2  21.533   4.010   5.236
    6    HB2  PRO   2           HB2      PRO   2  22.967   3.653   2.942
    7    HB3  PRO   2           HB1      PRO   2  23.185   5.052   4.000
    8    HG2  PRO   2           HG2      PRO   2  24.812   2.546   3.815
    9    HG3  PRO   2           HG1      PRO   2  25.356   4.227   3.977
   10    HD2  PRO   2           HD2      PRO   2  25.268   2.537   6.078
   11    HD3  PRO   2           HD1      PRO   2  24.951   4.275   6.247
   12    H    VAL   3           HN       VAL   3  20.461   2.980   3.293
   13    HA   VAL   3           HA       VAL   3  19.052   1.267   2.787
   14    HB   VAL   3           HB       VAL   3  20.105  -0.603   1.607
   15   HG11  VAL   3          HG11      VAL   3  21.201   0.737  -0.132
   16   HG12  VAL   3          HG12      VAL   3  21.268   2.098   0.990
   17   HG13  VAL   3          HG13      VAL   3  19.707   1.476   0.453
   18   HG21  VAL   3          HG21      VAL   3  22.543  -0.687   1.304
   19   HG22  VAL   3          HG22      VAL   3  22.079  -0.985   2.978
   20   HG23  VAL   3          HG23      VAL   3  22.725   0.586   2.510
   21    H    LYS   4           HN       LYS   4  19.189   1.362   5.436
   22    HA   LYS   4           HA       LYS   4  19.778  -1.097   6.708
   23    HB2  LYS   4           HB2      LYS   4  18.356  -0.180   8.531
   24    HB3  LYS   4           HB1      LYS   4  19.606   0.932   7.997
   25    HG2  LYS   4           HG2      LYS   4  17.884   2.102   6.630
   26    HG3  LYS   4           HG1      LYS   4  16.666   1.042   7.349
   27    HD2  LYS   4           HD2      LYS   4  18.484   2.937   8.842
   28    HD3  LYS   4           HD1      LYS   4  16.762   3.179   8.528
   29    HE2  LYS   4           HE2      LYS   4  16.124   1.593  10.056
   30    HE3  LYS   4           HE1      LYS   4  17.627   0.684   9.907
   31    HZ1  LYS   4           HZ1      LYS   4  17.510   1.773  12.034
   32    HZ2  LYS   4           HZ2      LYS   4  17.288   3.288  11.302
   33    HZ3  LYS   4           HZ3      LYS   4  18.758   2.458  11.114
   34    HA   PRO   5           HA       PRO   5  16.122  -3.650   6.087
   35    HB2  PRO   5           HB2      PRO   5  15.231  -3.237   8.891
   36    HB3  PRO   5           HB1      PRO   5  15.513  -4.741   8.007
   37    HG2  PRO   5           HG2      PRO   5  17.251  -3.909   9.836
   38    HG3  PRO   5           HG1      PRO   5  17.809  -4.651   8.326
   39    HD2  PRO   5           HD2      PRO   5  17.760  -1.768   9.117
   40    HD3  PRO   5           HD1      PRO   5  18.994  -2.668   8.213
   41    H    SER   6           HN       SER   6  15.321  -1.905   4.785
   42    HA   SER   6           HA       SER   6  12.713  -1.295   4.823
   43    HB2  SER   6           HB2      SER   6  13.123  -0.072   6.998
   44    HB3  SER   6           HB1      SER   6  14.170   1.037   6.112
   45    HG   SER   6           HG       SER   6  12.049   1.105   4.713
   46    H    ARG   7           HN       ARG   7  15.948  -0.423   4.167
   47    HA   ARG   7           HA       ARG   7  15.097   0.642   1.560
   48    HB2  ARG   7           HB2      ARG   7  17.553   1.519   3.075
   49    HB3  ARG   7           HB1      ARG   7  16.917   2.216   1.591
   50    HG2  ARG   7           HG2      ARG   7  14.973   3.039   2.770
   51    HG3  ARG   7           HG1      ARG   7  15.529   2.269   4.260
   52    HD2  ARG   7           HD2      ARG   7  17.607   3.665   4.076
   53    HD3  ARG   7           HD1      ARG   7  16.817   4.539   2.765
   54    HE   ARG   7           HE       ARG   7  14.999   4.796   4.687
   55   HH11  ARG   7          HH11      ARG   7  18.479   5.206   4.763
   56   HH12  ARG   7          HH12      ARG   7  18.440   6.356   6.074
   57   HH21  ARG   7          HH21      ARG   7  14.944   6.288   6.408
   58   HH22  ARG   7          HH22      ARG   7  16.424   6.970   7.011
   59    H    GLY   8           HN       GLY   8  16.984  -1.566   3.285
   60    HA2  GLY   8           HA2      GLY   8  18.865  -2.042   1.108
   61    HA3  GLY   8           HA1      GLY   8  18.968  -2.707   2.727
   62    HA   PRO   9           HA       PRO   9  16.908  -6.594   1.688
   63    HB2  PRO   9           HB2      PRO   9  14.331  -6.144   2.784
   64    HB3  PRO   9           HB1      PRO   9  15.671  -7.016   3.529
   65    HG2  PRO   9           HG2      PRO   9  14.797  -4.202   3.907
   66    HG3  PRO   9           HG1      PRO   9  15.546  -5.316   5.067
   67    HD2  PRO   9           HD2      PRO   9  16.949  -3.327   3.994
   68    HD3  PRO   9           HD1      PRO   9  17.690  -4.918   4.240
   69    H    LEU  10           HN       LEU  10  14.589  -7.368   0.681
   70    HA   LEU  10           HA       LEU  10  13.799  -5.483  -1.308
   71    HB2  LEU  10           HB2      LEU  10  15.543  -7.835  -1.916
   72    HB3  LEU  10           HB1      LEU  10  14.408  -7.225  -3.086
   73    HG   LEU  10           HG       LEU  10  16.679  -5.659  -1.869
   74   HD11  LEU  10          HD11      LEU  10  17.446  -7.355  -3.445
   75   HD12  LEU  10          HD12      LEU  10  17.642  -5.734  -4.114
   76   HD13  LEU  10          HD13      LEU  10  16.310  -6.754  -4.653
   77   HD21  LEU  10          HD21      LEU  10  14.740  -4.875  -4.043
   78   HD22  LEU  10          HD22      LEU  10  16.083  -3.906  -3.436
   79   HD23  LEU  10          HD23      LEU  10  14.712  -4.270  -2.386
   80    H    VAL  11           HN       VAL  11  11.730  -5.747  -0.968
   81    HA   VAL  11           HA       VAL  11  10.608  -8.452  -1.122
   82    HB   VAL  11           HB       VAL  11   9.599  -6.042   0.402
   83   HG11  VAL  11          HG11      VAL  11   8.152  -8.641  -0.077
   84   HG12  VAL  11          HG12      VAL  11   7.725  -7.082  -0.782
   85   HG13  VAL  11          HG13      VAL  11   7.613  -7.322   0.962
   86   HG21  VAL  11          HG21      VAL  11   9.681  -7.517   2.317
   87   HG22  VAL  11          HG22      VAL  11  11.260  -7.446   1.534
   88   HG23  VAL  11          HG23      VAL  11  10.220  -8.849   1.296
   89    H    THR  12           HN       THR  12   9.888  -8.727  -3.121
   90    HA   THR  12           HA       THR  12   8.685  -6.548  -4.568
   91    HB   THR  12           HB       THR  12   9.253  -9.402  -5.206
   92    HG1  THR  12           HG1      THR  12   9.822  -6.859  -6.268
   93   HG21  THR  12          HG21      THR  12   7.369  -7.689  -6.831
   94   HG22  THR  12          HG22      THR  12   6.868  -9.043  -5.816
   95   HG23  THR  12          HG23      THR  12   7.910  -9.328  -7.218
   96    H    CYS  13           HN       CYS  13   6.603  -6.172  -4.876
   97    HA   CYS  13           HA       CYS  13   4.649  -8.020  -3.725
   98    HB2  CYS  13           HB2      CYS  13   4.649  -5.017  -3.340
   99    HB3  CYS  13           HB1      CYS  13   3.462  -6.148  -2.704
  100    H    THR  14           HN       THR  14   2.638  -7.988  -4.812
  101    HA   THR  14           HA       THR  14   2.427  -7.308  -7.474
  102    HB   THR  14           HB       THR  14   0.276  -7.361  -5.338
  103    HG1  THR  14           HG1      THR  14   1.214  -9.285  -7.229
  104   HG21  THR  14          HG21      THR  14  -0.071  -7.425  -8.344
  105   HG22  THR  14          HG22      THR  14  -0.515  -6.079  -7.291
  106   HG23  THR  14          HG23      THR  14  -1.352  -7.626  -7.142
  107    H    CYS  15           HN       CYS  15   1.811  -5.399  -8.566
  108    HA   CYS  15           HA       CYS  15   1.628  -3.039  -6.856
  109    HB2  CYS  15           HB2      CYS  15   3.847  -3.626  -8.492
  110    HB3  CYS  15           HB1      CYS  15   2.957  -2.357  -9.315
  111    H    GLU  16           HN       GLU  16   0.406  -1.353  -7.710
  112    HA   GLU  16           HA       GLU  16  -0.862  -1.575 -10.260
  113    HB2  GLU  16           HB2      GLU  16  -2.101  -3.258  -8.834
  114    HB3  GLU  16           HB1      GLU  16  -2.607  -1.915  -7.812
  115    HG2  GLU  16           HG2      GLU  16  -4.319  -2.601  -9.445
  116    HG3  GLU  16           HG1      GLU  16  -3.833  -0.914  -9.610
  117    H    SER  17           HN       SER  17  -0.020   0.488 -10.481
  118    HA   SER  17           HA       SER  17  -0.076   2.757 -10.517
  119    HB2  SER  17           HB2      SER  17  -2.735   1.997  -9.500
  120    HB3  SER  17           HB1      SER  17  -2.247   3.677  -9.346
  121    HG   SER  17           HG       SER  17  -2.136   3.852 -11.537
  122    HA   PRO  18           HA       PRO  18   0.506   3.642  -5.919
  123    HB2  PRO  18           HB2      PRO  18   1.939   1.581  -4.799
  124    HB3  PRO  18           HB1      PRO  18   0.176   1.586  -4.927
  125    HG2  PRO  18           HG2      PRO  18   2.026  -0.149  -6.236
  126    HG3  PRO  18           HG1      PRO  18   0.269  -0.084  -6.453
  127    HD2  PRO  18           HD2      PRO  18   2.427   1.236  -8.044
  128    HD3  PRO  18           HD1      PRO  18   0.869   0.553  -8.595
  129    H    HIS  19           HN       HIS  19   3.233   1.542  -6.454
  130    HA   HIS  19           HA       HIS  19   5.125   3.781  -6.286
  131    HB2  HIS  19           HB2      HIS  19   6.048   0.992  -5.880
  132    HB3  HIS  19           HB1      HIS  19   6.488   2.457  -5.003
  133    HD1  HIS  19           HD1      HIS  19   4.033  -0.348  -5.022
  134    HD2  HIS  19           HD2      HIS  19   4.856   3.040  -2.791
  135    HE1  HIS  19           HE1      HIS  19   2.548  -0.484  -3.005
  136    HE2  HIS  19           HE2      HIS  19   3.271   1.426  -1.548
  137    H    CYS  20           HN       CYS  20   3.530   2.026  -8.406
  138    HA   CYS  20           HA       CYS  20   5.748   1.630 -10.272
  139    HB2  CYS  20           HB2      CYS  20   3.654  -0.501  -9.876
  140    HB3  CYS  20           HB1      CYS  20   5.204  -0.628 -10.701
  141    H    LYS  21           HN       LYS  21   4.831   1.119 -12.488
  142    HA   LYS  21           HA       LYS  21   2.441   2.768 -12.852
  143    HB2  LYS  21           HB2      LYS  21   4.589   3.328 -14.044
  144    HB3  LYS  21           HB1      LYS  21   4.398   1.841 -14.956
  145    HG2  LYS  21           HG2      LYS  21   3.661   3.708 -16.280
  146    HG3  LYS  21           HG1      LYS  21   2.272   2.704 -15.867
  147    HD2  LYS  21           HD2      LYS  21   2.946   5.013 -14.105
  148    HD3  LYS  21           HD1      LYS  21   2.182   5.333 -15.662
  149    HE2  LYS  21           HE2      LYS  21   1.093   3.444 -13.577
  150    HE3  LYS  21           HE1      LYS  21   0.577   5.118 -13.768
  151    HZ1  LYS  21           HZ1      LYS  21  -0.868   3.432 -14.871
  152    HZ2  LYS  21           HZ2      LYS  21   0.406   3.103 -15.941
  153    HZ3  LYS  21           HZ3      LYS  21  -0.293   4.646 -15.907
  154    H    GLY  22           HN       GLY  22   2.692  -0.222 -12.114
  155    HA2  GLY  22           HA2      GLY  22   0.409  -1.220 -13.250
  156    HA3  GLY  22           HA1      GLY  22   1.667  -1.533 -14.441
  157    HA   PRO  23           HA       PRO  23   2.614  -5.131 -13.118
  158    HB2  PRO  23           HB2      PRO  23   5.222  -5.415 -13.442
  159    HB3  PRO  23           HB1      PRO  23   4.203  -4.888 -14.763
  160    HG2  PRO  23           HG2      PRO  23   5.919  -3.253 -12.924
  161    HG3  PRO  23           HG1      PRO  23   5.787  -3.168 -14.692
  162    HD2  PRO  23           HD2      PRO  23   4.431  -1.496 -13.003
  163    HD3  PRO  23           HD1      PRO  23   3.842  -1.968 -14.612
  164    H    THR  24           HN       THR  24   5.736  -4.821 -11.834
  165    HA   THR  24           HA       THR  24   4.816  -5.314  -9.099
  166    HB   THR  24           HB       THR  24   6.692  -7.053  -8.964
  167    HG1  THR  24           HG1      THR  24   6.290  -7.440 -11.729
  168   HG21  THR  24          HG21      THR  24   5.254  -8.858  -9.788
  169   HG22  THR  24          HG22      THR  24   4.272  -7.679 -10.658
  170   HG23  THR  24          HG23      THR  24   4.323  -7.656  -8.895
  171    H    CYS  25           HN       CYS  25   7.100  -5.510  -7.721
  172    HA   CYS  25           HA       CYS  25   9.052  -3.634  -8.621
  173    HB2  CYS  25           HB2      CYS  25   8.586  -1.848  -7.070
  174    HB3  CYS  25           HB1      CYS  25   7.141  -2.151  -8.012
  175    H    ARG  26           HN       ARG  26  10.931  -4.075  -7.610
  176    HA   ARG  26           HA       ARG  26  10.983  -5.593  -5.153
  177    HB2  ARG  26           HB2      ARG  26  13.162  -4.306  -6.794
  178    HB3  ARG  26           HB1      ARG  26  13.463  -5.118  -5.266
  179    HG2  ARG  26           HG2      ARG  26  12.591  -7.201  -6.217
  180    HG3  ARG  26           HG1      ARG  26  12.345  -6.374  -7.760
  181    HD2  ARG  26           HD2      ARG  26  14.732  -5.875  -7.877
  182    HD3  ARG  26           HD1      ARG  26  14.981  -6.675  -6.327
  183    HE   ARG  26           HE       ARG  26  14.742  -8.744  -7.362
  184   HH11  ARG  26          HH11      ARG  26  14.195  -6.133  -9.647
  185   HH12  ARG  26          HH12      ARG  26  14.328  -7.170 -11.042
  186   HH21  ARG  26          HH21      ARG  26  14.948 -10.082  -9.176
  187   HH22  ARG  26          HH22      ARG  26  14.775  -9.416 -10.774
  188    H    GLY  27           HN       GLY  27  10.607  -4.656  -3.291
  189    HA2  GLY  27           HA2      GLY  27  11.688  -1.936  -2.858
  190    HA3  GLY  27           HA1      GLY  27  10.099  -2.416  -2.279
  191    H    ALA  28           HN       ALA  28  10.120  -2.670  -0.207
  192    HA   ALA  28           HA       ALA  28  12.395  -4.067   1.057
  193    HB1  ALA  28           HB1      ALA  28  12.368  -2.575   2.943
  194    HB2  ALA  28           HB2      ALA  28  11.000  -1.684   2.274
  195    HB3  ALA  28           HB3      ALA  28  12.573  -1.620   1.473
  196    H    TRP  29           HN       TRP  29   9.090  -3.310   0.854
  197    HA   TRP  29           HA       TRP  29   8.163  -5.679   1.953
  198    HB2  TRP  29           HB2      TRP  29   7.060  -4.814   3.994
  199    HB3  TRP  29           HB1      TRP  29   8.811  -4.766   4.116
  200    HD1  TRP  29           HD1      TRP  29   7.582  -1.871   2.103
  201    HE1  TRP  29           HE1      TRP  29   7.559   0.255   3.548
  202    HE3  TRP  29           HE3      TRP  29   8.282  -4.000   6.698
  203    HZ2  TRP  29           HZ2      TRP  29   7.834   0.941   6.251
  204    HZ3  TRP  29           HZ3      TRP  29   8.389  -2.531   8.670
  205    HH2  TRP  29           HH2      TRP  29   8.166  -0.110   8.448
  206    H    CYS  30           HN       CYS  30   5.648  -5.334   2.415
  207    HA   CYS  30           HA       CYS  30   4.776  -4.074  -0.069
  208    HB2  CYS  30           HB2      CYS  30   3.312  -5.911   1.839
  209    HB3  CYS  30           HB1      CYS  30   2.621  -5.252   0.361
  210    H    THR  31           HN       THR  31   3.615  -2.287  -0.155
  211    HA   THR  31           HA       THR  31   2.168  -1.452   2.259
  212    HB   THR  31           HB       THR  31   2.504   0.931   1.604
  213    HG1  THR  31           HG1      THR  31   4.651   0.953   0.238
  214   HG21  THR  31          HG21      THR  31   5.041  -0.601   2.173
  215   HG22  THR  31          HG22      THR  31   3.863  -0.067   3.372
  216   HG23  THR  31          HG23      THR  31   4.788   1.122   2.456
  217    H    VAL  32           HN       VAL  32   0.095  -1.395   1.914
  218    HA   VAL  32           HA       VAL  32  -0.878  -1.062  -0.836
  219    HB   VAL  32           HB       VAL  32  -2.866  -2.184  -0.234
  220   HG11  VAL  32          HG11      VAL  32  -0.579  -3.545   1.165
  221   HG12  VAL  32          HG12      VAL  32  -1.027  -3.699  -0.535
  222   HG13  VAL  32          HG13      VAL  32  -2.101  -4.318   0.720
  223   HG21  VAL  32          HG21      VAL  32  -2.032  -2.004   2.650
  224   HG22  VAL  32          HG22      VAL  32  -3.477  -2.820   2.033
  225   HG23  VAL  32          HG23      VAL  32  -3.312  -1.071   1.868
  226    H    VAL  33           HN       VAL  33  -2.676   0.390  -1.144
  227    HA   VAL  33           HA       VAL  33  -3.201   2.286   0.951
  228    HB   VAL  33           HB       VAL  33  -2.483   4.031  -1.086
  229   HG11  VAL  33          HG11      VAL  33  -0.953   3.325   1.396
  230   HG12  VAL  33          HG12      VAL  33  -2.302   4.455   1.294
  231   HG13  VAL  33          HG13      VAL  33  -0.784   4.814   0.469
  232   HG21  VAL  33          HG21      VAL  33  -1.147   2.298  -2.170
  233   HG22  VAL  33          HG22      VAL  33  -0.261   2.046  -0.665
  234   HG23  VAL  33          HG23      VAL  33  -0.120   3.581  -1.524
  235    H    LEU  34           HN       LEU  34  -5.298   2.449   0.783
  236    HA   LEU  34           HA       LEU  34  -6.588   2.415  -1.817
  237    HB2  LEU  34           HB2      LEU  34  -7.659   1.209  -0.010
  238    HB3  LEU  34           HB1      LEU  34  -7.683   2.649   0.999
  239    HG   LEU  34           HG       LEU  34  -9.230   3.692  -0.695
  240   HD11  LEU  34          HD11      LEU  34  -9.265   0.889  -1.811
  241   HD12  LEU  34          HD12      LEU  34  -8.657   2.335  -2.622
  242   HD13  LEU  34          HD13      LEU  34 -10.377   2.184  -2.256
  243   HD21  LEU  34          HD21      LEU  34 -11.196   2.426   0.047
  244   HD22  LEU  34          HD22      LEU  34 -10.070   2.723   1.372
  245   HD23  LEU  34          HD23      LEU  34 -10.141   1.131   0.615
  246    H    VAL  35           HN       VAL  35  -6.266   4.250  -2.908
  247    HA   VAL  35           HA       VAL  35  -6.057   6.749  -1.466
  248    HB   VAL  35           HB       VAL  35  -5.963   6.268  -4.451
  249   HG11  VAL  35          HG11      VAL  35  -6.638   8.547  -3.902
  250   HG12  VAL  35          HG12      VAL  35  -4.994   8.527  -4.548
  251   HG13  VAL  35          HG13      VAL  35  -5.258   8.706  -2.813
  252   HG21  VAL  35          HG21      VAL  35  -3.541   6.558  -4.212
  253   HG22  VAL  35          HG22      VAL  35  -4.121   5.165  -3.297
  254   HG23  VAL  35          HG23      VAL  35  -3.732   6.669  -2.461
  255    H    ARG  36           HN       ARG  36  -8.090   7.008  -0.635
  256    HA   ARG  36           HA       ARG  36 -10.340   7.317  -2.366
  257    HB2  ARG  36           HB2      ARG  36  -9.855   8.177   0.492
  258    HB3  ARG  36           HB1      ARG  36 -11.397   8.360  -0.339
  259    HG2  ARG  36           HG2      ARG  36 -11.537   5.951  -0.653
  260    HG3  ARG  36           HG1      ARG  36  -9.976   5.743   0.136
  261    HD2  ARG  36           HD2      ARG  36 -11.794   5.212   1.651
  262    HD3  ARG  36           HD1      ARG  36 -10.908   6.627   2.213
  263    HE   ARG  36           HE       ARG  36 -12.881   7.809   0.931
  264   HH11  ARG  36          HH11      ARG  36 -13.020   4.958   2.954
  265   HH12  ARG  36          HH12      ARG  36 -14.597   5.315   3.588
  266   HH21  ARG  36          HH21      ARG  36 -14.969   8.295   1.767
  267   HH22  ARG  36          HH22      ARG  36 -15.704   7.220   2.916
  268    H    GLU  37           HN       GLU  37 -10.121   8.741  -3.897
  269    HA   GLU  37           HA       GLU  37  -8.234  10.693  -4.088
  270    HB2  GLU  37           HB2      GLU  37 -10.834  10.245  -5.520
  271    HB3  GLU  37           HB1      GLU  37  -9.632  11.393  -6.024
  272    HG2  GLU  37           HG2      GLU  37  -9.184   8.447  -5.782
  273    HG3  GLU  37           HG1      GLU  37  -9.525   9.307  -7.285
  274    H    GLU  38           HN       GLU  38  -8.739  12.998  -4.701
  275    HA   GLU  38           HA       GLU  38  -9.801  14.435  -2.580
  276    HB2  GLU  38           HB2      GLU  38  -8.277  15.359  -4.326
  277    HB3  GLU  38           HB1      GLU  38  -9.623  15.350  -5.457
  278    HG2  GLU  38           HG2      GLU  38  -9.153  17.559  -4.431
  279    HG3  GLU  38           HG1      GLU  38 -10.801  16.979  -4.183
  280    H    GLY  39           HN       GLY  39 -11.777  14.221  -1.874
  281    HA2  GLY  39           HA2      GLY  39 -14.156  14.824  -2.429
  282    HA3  GLY  39           HA1      GLY  39 -13.935  13.785  -3.836
  283    H    ARG  40           HN       ARG  40 -12.849  11.572  -3.097
  284    HA   ARG  40           HA       ARG  40 -13.228  10.305  -0.797
  285    HB2  ARG  40           HB2      ARG  40 -15.362   9.562  -0.405
  286    HB3  ARG  40           HB1      ARG  40 -15.665  11.174  -1.022
  287    HG2  ARG  40           HG2      ARG  40 -17.195  10.118  -2.273
  288    HG3  ARG  40           HG1      ARG  40 -15.813   9.768  -3.313
  289    HD2  ARG  40           HD2      ARG  40 -17.197   7.768  -2.845
  290    HD3  ARG  40           HD1      ARG  40 -15.532   7.599  -2.286
  291    HE   ARG  40           HE       ARG  40 -17.203   8.593  -0.213
  292   HH11  ARG  40          HH11      ARG  40 -16.434   5.630  -1.935
  293   HH12  ARG  40          HH12      ARG  40 -16.827   4.610  -0.590
  294   HH21  ARG  40          HH21      ARG  40 -17.728   7.258   1.531
  295   HH22  ARG  40          HH22      ARG  40 -17.561   5.527   1.395
  296    H    HIS  41           HN       HIS  41 -13.534  10.117  -4.232
  297    HA   HIS  41           HA       HIS  41 -14.177   7.474  -4.675
  298    HB2  HIS  41           HB2      HIS  41 -12.344   9.190  -6.356
  299    HB3  HIS  41           HB1      HIS  41 -13.142   7.717  -6.890
  300    HD1  HIS  41           HD1      HIS  41 -13.450  11.093  -7.451
  301    HD2  HIS  41           HD2      HIS  41 -16.196   8.211  -6.224
  302    HE1  HIS  41           HE1      HIS  41 -15.722  12.044  -7.978
  303    HE2  HIS  41           HE2      HIS  41 -17.362  10.241  -7.342
  304    HA   PRO  42           HA       PRO  42 -10.425   5.664  -2.974
  305    HB2  PRO  42           HB2      PRO  42 -11.948   3.199  -2.885
  306    HB3  PRO  42           HB1      PRO  42 -11.360   4.187  -1.547
  307    HG2  PRO  42           HG2      PRO  42 -13.998   3.928  -2.172
  308    HG3  PRO  42           HG1      PRO  42 -13.316   5.368  -1.392
  309    HD2  PRO  42           HD2      PRO  42 -14.016   4.920  -4.270
  310    HD3  PRO  42           HD1      PRO  42 -14.268   6.360  -3.258
  311    H    GLN  43           HN       GLN  43  -8.851   5.099  -4.320
  312    HA   GLN  43           HA       GLN  43  -9.394   2.964  -6.278
  313    HB2  GLN  43           HB2      GLN  43  -7.202   5.045  -6.406
  314    HB3  GLN  43           HB1      GLN  43  -7.558   3.826  -7.621
  315    HG2  GLN  43           HG2      GLN  43  -9.832   4.920  -7.855
  316    HG3  GLN  43           HG1      GLN  43  -9.185   6.243  -6.885
  317   HE21  GLN  43          HE21      GLN  43  -7.520   7.534  -7.740
  318   HE22  GLN  43          HE22      GLN  43  -7.209   7.576  -9.446
  319    H    GLU  44           HN       GLU  44  -8.427   1.078  -5.844
  320    HA   GLU  44           HA       GLU  44  -6.708   0.905  -3.517
  321    HB2  GLU  44           HB2      GLU  44  -8.628  -0.673  -4.174
  322    HB3  GLU  44           HB1      GLU  44  -7.511  -1.352  -5.345
  323    HG2  GLU  44           HG2      GLU  44  -6.909  -1.202  -2.409
  324    HG3  GLU  44           HG1      GLU  44  -7.728  -2.570  -3.158
  325    H    HIS  45           HN       HIS  45  -4.614   1.289  -3.708
  326    HA   HIS  45           HA       HIS  45  -3.196   0.266  -6.077
  327    HB2  HIS  45           HB2      HIS  45  -2.701   2.898  -4.652
  328    HB3  HIS  45           HB1      HIS  45  -1.675   2.241  -5.909
  329    HD1  HIS  45           HD1      HIS  45  -3.070   4.990  -6.217
  330    HD2  HIS  45           HD2      HIS  45  -4.610   1.402  -7.645
  331    HE1  HIS  45           HE1      HIS  45  -4.664   5.622  -8.056
  332    HE2  HIS  45           HE2      HIS  45  -5.490   3.425  -8.991
  333    H    ARG  46           HN       ARG  46  -1.467  -1.000  -5.618
  334    HA   ARG  46           HA       ARG  46  -0.578  -1.198  -2.821
  335    HB2  ARG  46           HB2      ARG  46  -0.908  -3.731  -3.086
  336    HB3  ARG  46           HB1      ARG  46  -2.342  -2.744  -2.819
  337    HG2  ARG  46           HG2      ARG  46  -2.783  -2.760  -5.233
  338    HG3  ARG  46           HG1      ARG  46  -1.368  -3.787  -5.466
  339    HD2  ARG  46           HD2      ARG  46  -2.392  -5.519  -4.087
  340    HD3  ARG  46           HD1      ARG  46  -3.801  -4.486  -3.830
  341    HE   ARG  46           HE       ARG  46  -3.678  -4.620  -6.502
  342   HH11  ARG  46          HH11      ARG  46  -3.581  -7.094  -4.033
  343   HH12  ARG  46          HH12      ARG  46  -4.339  -8.295  -5.034
  344   HH21  ARG  46          HH21      ARG  46  -4.653  -6.192  -7.820
  345   HH22  ARG  46          HH22      ARG  46  -4.979  -7.769  -7.170
  346    H    GLY  47           HN       GLY  47   1.404  -2.376  -2.502
  347    HA2  GLY  47           HA2      GLY  47   2.901  -3.818  -4.323
  348    HA3  GLY  47           HA1      GLY  47   3.254  -2.137  -4.704
  349    H    CYS  48           HN       CYS  48   5.419  -2.310  -4.087
  350    HA   CYS  48           HA       CYS  48   5.981  -2.949  -1.291
  351    HB2  CYS  48           HB2      CYS  48   8.297  -3.078  -2.035
  352    HB3  CYS  48           HB1      CYS  48   7.278  -4.097  -3.037
  353    H    GLY  49           HN       GLY  49   6.497  -1.346   0.128
  354    HA2  GLY  49           HA2      GLY  49   6.338   1.394  -0.866
  355    HA3  GLY  49           HA1      GLY  49   6.344   0.897   0.823
  356    H    ASN  50           HN       ASN  50   8.681  -0.810   0.297
  357    HA   ASN  50           HA       ASN  50  10.865  -0.718   0.761
  358    HB2  ASN  50           HB2      ASN  50  12.273   0.487  -0.944
  359    HB3  ASN  50           HB1      ASN  50  11.165  -0.727  -1.560
  360   HD21  ASN  50          HD21      ASN  50   9.615  -0.150  -2.998
  361   HD22  ASN  50          HD22      ASN  50   9.427   1.452  -3.629
  362    H    LEU  51           HN       LEU  51  11.904   2.245  -0.346
  363    HA   LEU  51           HA       LEU  51  12.937   2.806   2.244
  364    HB2  LEU  51           HB2      LEU  51  12.996   4.588  -0.191
  365    HB3  LEU  51           HB1      LEU  51  14.059   4.676   1.198
  366    HG   LEU  51           HG       LEU  51  14.657   2.191   0.409
  367   HD11  LEU  51          HD11      LEU  51  13.971   3.587  -2.168
  368   HD12  LEU  51          HD12      LEU  51  13.042   2.270  -1.459
  369   HD13  LEU  51          HD13      LEU  51  14.702   1.993  -1.983
  370   HD21  LEU  51          HD21      LEU  51  16.220   4.052   0.720
  371   HD22  LEU  51          HD22      LEU  51  15.760   4.699  -0.855
  372   HD23  LEU  51          HD23      LEU  51  16.577   3.140  -0.746
  373    H    HIS  52           HN       HIS  52  10.029   3.612   0.752
  374    HA   HIS  52           HA       HIS  52   9.784   6.241   1.940
  375    HB2  HIS  52           HB2      HIS  52   7.717   4.626   0.437
  376    HB3  HIS  52           HB1      HIS  52   7.616   6.337   0.841
  377    HD1  HIS  52           HD1      HIS  52   9.009   3.985  -1.647
  378    HD2  HIS  52           HD2      HIS  52   9.402   8.003  -0.658
  379    HE1  HIS  52           HE1      HIS  52  10.127   5.059  -3.622
  380    HE2  HIS  52           HE2      HIS  52  10.233   7.515  -3.062
  381    H    ARG  53           HN       ARG  53   9.666   6.105   4.105
  382    HA   ARG  53           HA       ARG  53   8.122   4.096   5.469
  383    HB2  ARG  53           HB2      ARG  53  10.239   5.314   6.302
  384    HB3  ARG  53           HB1      ARG  53   9.165   6.651   6.686
  385    HG2  ARG  53           HG2      ARG  53   9.494   5.384   8.672
  386    HG3  ARG  53           HG1      ARG  53   7.847   5.079   8.113
  387    HD2  ARG  53           HD2      ARG  53   8.578   2.982   7.094
  388    HD3  ARG  53           HD1      ARG  53  10.228   3.289   7.635
  389    HE   ARG  53           HE       ARG  53   8.173   3.190   9.699
  390   HH11  ARG  53          HH11      ARG  53  10.744   1.528   7.991
  391   HH12  ARG  53          HH12      ARG  53  10.926   0.298   9.199
  392   HH21  ARG  53          HH21      ARG  53   8.412   1.552  11.292
  393   HH22  ARG  53          HH22      ARG  53   9.584   0.282  11.053
  394    H    GLU  54           HN       GLU  54   7.595   7.193   4.144
  395    HA   GLU  54           HA       GLU  54   5.413   8.109   5.650
  396    HB2  GLU  54           HB2      GLU  54   4.908   9.496   3.658
  397    HB3  GLU  54           HB1      GLU  54   6.603   9.565   4.120
  398    HG2  GLU  54           HG2      GLU  54   7.067   7.857   2.353
  399    HG3  GLU  54           HG1      GLU  54   5.392   8.032   1.837
  400    H    LEU  55           HN       LEU  55   5.658   5.631   3.254
  401    HA   LEU  55           HA       LEU  55   2.865   5.499   2.636
  402    HB2  LEU  55           HB2      LEU  55   5.079   3.501   2.188
  403    HB3  LEU  55           HB1      LEU  55   3.461   3.385   1.518
  404    HG   LEU  55           HG       LEU  55   5.439   5.585   0.912
  405   HD11  LEU  55          HD11      LEU  55   5.575   4.548  -1.297
  406   HD12  LEU  55          HD12      LEU  55   4.538   3.234  -0.739
  407   HD13  LEU  55          HD13      LEU  55   6.137   3.459  -0.029
  408   HD21  LEU  55          HD21      LEU  55   2.735   4.977  -0.282
  409   HD22  LEU  55          HD22      LEU  55   3.843   6.244  -0.813
  410   HD23  LEU  55          HD23      LEU  55   3.111   6.327   0.789
  411    H    CYS  56           HN       CYS  56   4.436   4.885   5.412
  412    HA   CYS  56           HA       CYS  56   2.356   2.986   6.250
  413    HB2  CYS  56           HB2      CYS  56   5.301   2.919   6.924
  414    HB3  CYS  56           HB1      CYS  56   4.095   2.089   7.899
  415    H    ARG  57           HN       ARG  57   2.727   5.964   6.364
  416    HA   ARG  57           HA       ARG  57   1.899   6.533   8.975
  417    HB2  ARG  57           HB2      ARG  57   4.039   6.024   9.827
  418    HB3  ARG  57           HB1      ARG  57   4.855   6.818   8.487
  419    HG2  ARG  57           HG2      ARG  57   4.185   8.987   9.314
  420    HG3  ARG  57           HG1      ARG  57   3.244   8.238  10.604
  421    HD2  ARG  57           HD2      ARG  57   6.202   7.824  10.267
  422    HD3  ARG  57           HD1      ARG  57   5.520   9.112  11.259
  423    HE   ARG  57           HE       ARG  57   4.308   6.839  12.162
  424   HH11  ARG  57          HH11      ARG  57   7.652   7.814  11.753
  425   HH12  ARG  57          HH12      ARG  57   8.202   6.935  13.151
  426   HH21  ARG  57          HH21      ARG  57   5.021   5.668  13.967
  427   HH22  ARG  57          HH22      ARG  57   6.709   5.691  14.399
  428    H    GLY  58           HN       GLY  58   0.694   8.259   8.650
  429    HA2  GLY  58           HA2      GLY  58   1.874  10.685   7.626
  430    HA3  GLY  58           HA1      GLY  58   0.616  10.018   6.590
  431    H    ARG  59           HN       ARG  59  -1.514   9.875   7.368
  432    HA   ARG  59           HA       ARG  59  -2.078  10.916  10.026
  433    HB2  ARG  59           HB2      ARG  59  -2.174  12.826   8.320
  434    HB3  ARG  59           HB1      ARG  59  -3.563  12.006   7.635
  435    HG2  ARG  59           HG2      ARG  59  -4.394  13.674   9.093
  436    HG3  ARG  59           HG1      ARG  59  -4.637  12.123   9.898
  437    HD2  ARG  59           HD2      ARG  59  -2.081  13.029  10.649
  438    HD3  ARG  59           HD1      ARG  59  -3.160  14.416  10.775
  439    HE   ARG  59           HE       ARG  59  -4.321  12.115  11.984
  440   HH11  ARG  59          HH11      ARG  59  -2.022  14.713  12.488
  441   HH12  ARG  59          HH12      ARG  59  -2.008  14.531  14.219
  442   HH21  ARG  59          HH21      ARG  59  -4.296  11.868  14.266
  443   HH22  ARG  59          HH22      ARG  59  -3.320  12.937  15.234
  444    HA   PRO  60           HA       PRO  60  -4.734   7.315   9.512
  445    HB2  PRO  60           HB2      PRO  60  -5.650   8.163  12.198
  446    HB3  PRO  60           HB1      PRO  60  -5.012   6.602  11.668
  447    HG2  PRO  60           HG2      PRO  60  -3.549   8.246  13.187
  448    HG3  PRO  60           HG1      PRO  60  -2.806   7.273  11.904
  449    HD2  PRO  60           HD2      PRO  60  -3.524  10.182  11.903
  450    HD3  PRO  60           HD1      PRO  60  -2.084   9.376  11.246
  451    H    THR  61           HN       THR  61  -5.997   8.347   7.920
  452    HA   THR  61           HA       THR  61  -8.491   9.509   8.950
  453    HB   THR  61           HB       THR  61  -8.469  11.005   6.892
  454    HG1  THR  61           HG1      THR  61  -5.727  10.209   6.917
  455   HG21  THR  61          HG21      THR  61  -8.038  11.903   9.117
  456   HG22  THR  61          HG22      THR  61  -7.009  12.691   7.920
  457   HG23  THR  61          HG23      THR  61  -6.335  11.455   8.981
  458    H    GLU  62           HN       GLU  62  -9.764   9.865   6.493
  459    HA   GLU  62           HA       GLU  62 -10.291   7.072   5.853
  460    HB2  GLU  62           HB2      GLU  62 -11.819   9.550   5.055
  461    HB3  GLU  62           HB1      GLU  62 -12.339   7.889   4.809
  462    HG2  GLU  62           HG2      GLU  62 -12.337   7.590   7.274
  463    HG3  GLU  62           HG1      GLU  62 -11.990   9.311   7.437
  464    H    PHE  63           HN       PHE  63  -9.283  10.069   4.285
  465    HA   PHE  63           HA       PHE  63  -9.498   8.934   1.650
  466    HB2  PHE  63           HB2      PHE  63  -8.529  11.110   0.905
  467    HB3  PHE  63           HB1      PHE  63  -9.999  11.268   1.863
  468    HD1  PHE  63           HD2      PHE  63  -6.351  11.760   1.822
  469    HD2  PHE  63           HD1      PHE  63  -9.953  12.329   4.018
  470    HE1  PHE  63           HE2      PHE  63  -5.186  13.319   3.327
  471    HE2  PHE  63           HE1      PHE  63  -8.793  13.892   5.523
  472    HZ   PHE  63           HZ       PHE  63  -6.406  14.386   5.180
  473    H    VAL  64           HN       VAL  64  -7.643   7.842   3.710
  474    HA   VAL  64           HA       VAL  64  -5.595   7.060   1.973
  475    HB   VAL  64           HB       VAL  64  -4.682   9.293   2.343
  476   HG11  VAL  64          HG11      VAL  64  -3.817   9.984   4.515
  477   HG12  VAL  64          HG12      VAL  64  -4.524   8.547   5.253
  478   HG13  VAL  64          HG13      VAL  64  -5.569   9.776   4.544
  479   HG21  VAL  64          HG21      VAL  64  -3.095   7.075   3.616
  480   HG22  VAL  64          HG22      VAL  64  -2.422   8.619   3.089
  481   HG23  VAL  64          HG23      VAL  64  -3.132   7.517   1.908
  482    H    ASN  65           HN       ASN  65  -5.379   5.061   2.535
  483    HA   ASN  65           HA       ASN  65  -4.948   4.408   5.342
  484    HB2  ASN  65           HB2      ASN  65  -6.351   2.304   4.984
  485    HB3  ASN  65           HB1      ASN  65  -7.222   3.812   5.201
  486   HD21  ASN  65          HD21      ASN  65  -6.675   1.096   3.288
  487   HD22  ASN  65          HD22      ASN  65  -7.711   1.520   1.971
  488    H    HIS  66           HN       HIS  66  -2.881   3.922   5.216
  489    HA   HIS  66           HA       HIS  66  -1.950   2.160   3.065
  490    HB2  HIS  66           HB2      HIS  66   0.350   2.869   4.104
  491    HB3  HIS  66           HB1      HIS  66  -0.526   3.973   3.058
  492    HD1  HIS  66           HD1      HIS  66  -0.737   3.345   6.819
  493    HD2  HIS  66           HD2      HIS  66  -0.242   6.425   4.078
  494    HE1  HIS  66           HE1      HIS  66  -0.680   5.459   8.183
  495    HE2  HIS  66           HE2      HIS  66  -0.708   7.308   6.461
  496    H    TYR  67           HN       TYR  67  -1.925   0.094   3.514
  497    HA   TYR  67           HA       TYR  67  -1.231  -0.783   6.258
  498    HB2  TYR  67           HB2      TYR  67  -3.369  -1.663   5.423
  499    HB3  TYR  67           HB1      TYR  67  -2.564  -2.293   3.999
  500    HD1  TYR  67           HD1      TYR  67  -3.034  -2.760   7.622
  501    HD2  TYR  67           HD2      TYR  67  -1.313  -4.331   4.063
  502    HE1  TYR  67           HE1      TYR  67  -2.629  -4.898   8.766
  503    HE2  TYR  67           HE2      TYR  67  -0.896  -6.470   5.197
  504    HH   TYR  67           HH       TYR  67  -0.651  -7.358   7.413
  505    H    CYS  68           HN       CYS  68   0.558  -2.120   6.592
  506    HA   CYS  68           HA       CYS  68   2.244  -2.508   4.208
  507    HB2  CYS  68           HB2      CYS  68   3.487  -2.255   6.907
  508    HB3  CYS  68           HB1      CYS  68   4.115  -1.793   5.332
  509    H    CYS  69           HN       CYS  69   3.460  -4.361   4.039
  510    HA   CYS  69           HA       CYS  69   3.031  -6.502   6.027
  511    HB2  CYS  69           HB2      CYS  69   2.887  -6.644   3.026
  512    HB3  CYS  69           HB1      CYS  69   3.278  -8.059   3.985
  513    H    ASP  70           HN       ASP  70   4.867  -7.833   6.351
  514    HA   ASP  70           HA       ASP  70   7.342  -6.531   5.456
  515    HB2  ASP  70           HB2      ASP  70   6.902  -6.712   7.885
  516    HB3  ASP  70           HB1      ASP  70   6.865  -8.462   7.739
  517    H    SER  71           HN       SER  71   5.623  -8.734   4.050
  518    HA   SER  71           HA       SER  71   7.929 -10.393   3.342
  519    HB2  SER  71           HB2      SER  71   5.117 -11.431   3.793
  520    HB3  SER  71           HB1      SER  71   6.504 -12.387   3.264
  521    HG   SER  71           HG       SER  71   7.000 -10.967   5.544
  522    H    HIS  72           HN       HIS  72   7.786 -11.330   1.207
  523    HA   HIS  72           HA       HIS  72   6.917  -9.421  -0.680
  524    HB2  HIS  72           HB2      HIS  72   7.784 -10.942  -2.366
  525    HB3  HIS  72           HB1      HIS  72   8.902 -10.838  -1.016
  526    HD1  HIS  72           HD1      HIS  72   9.253 -12.986   0.402
  527    HD2  HIS  72           HD2      HIS  72   6.630 -13.449  -2.792
  528    HE1  HIS  72           HE1      HIS  72   8.960 -15.465   0.117
  529    HE2  HIS  72           HE2      HIS  72   7.226 -15.714  -1.691
  530    H    LEU  73           HN       LEU  73   5.184  -9.307  -1.954
  531    HA   LEU  73           HA       LEU  73   3.234  -9.779  -3.030
  532    HB2  LEU  73           HB2      LEU  73   3.866 -12.669  -2.439
  533    HB3  LEU  73           HB1      LEU  73   2.709 -12.082  -3.618
  534    HG   LEU  73           HG       LEU  73   5.712 -11.834  -3.730
  535   HD11  LEU  73          HD11      LEU  73   5.453 -13.154  -5.778
  536   HD12  LEU  73          HD12      LEU  73   3.717 -13.263  -5.478
  537   HD13  LEU  73          HD13      LEU  73   4.856 -14.013  -4.358
  538   HD21  LEU  73          HD21      LEU  73   4.701  -9.774  -4.535
  539   HD22  LEU  73          HD22      LEU  73   3.645 -10.696  -5.607
  540   HD23  LEU  73          HD23      LEU  73   5.388 -10.701  -5.869
  541    H    CYS  74           HN       CYS  74   2.972  -8.992  -0.467
  542    HA   CYS  74           HA       CYS  74   1.113 -10.863   0.830
  543    HB2  CYS  74           HB2      CYS  74   2.847  -9.936   2.280
  544    HB3  CYS  74           HB1      CYS  74   2.337  -8.301   1.878
  545    H    ASN  75           HN       ASN  75   1.260  -7.807  -0.785
  546    HA   ASN  75           HA       ASN  75  -1.374  -6.939  -0.037
  547    HB2  ASN  75           HB2      ASN  75  -0.981  -5.135  -1.588
  548    HB3  ASN  75           HB1      ASN  75   0.499  -5.411  -0.674
  549   HD21  ASN  75          HD21      ASN  75  -1.012  -5.496  -3.733
  550   HD22  ASN  75          HD22      ASN  75   0.405  -5.857  -4.653
  551    H    HIS  76           HN       HIS  76  -0.325  -9.372  -1.920
  552    HA   HIS  76           HA       HIS  76  -1.727  -9.099  -4.318
  553    HB2  HIS  76           HB2      HIS  76   0.098 -10.711  -3.964
  554    HB3  HIS  76           HB1      HIS  76  -0.933 -11.646  -2.889
  555    HD1  HIS  76           HD1      HIS  76  -0.281 -10.940  -6.493
  556    HD2  HIS  76           HD2      HIS  76  -2.911 -13.184  -4.184
  557    HE1  HIS  76           HE1      HIS  76  -1.400 -12.532  -8.092
  558    HE2  HIS  76           HE2      HIS  76  -3.110 -13.749  -6.697
  559    H    ASN  77           HN       ASN  77  -2.776 -10.014  -1.158
  560    HA   ASN  77           HA       ASN  77  -5.548 -10.171  -2.066
  561    HB2  ASN  77           HB2      ASN  77  -5.899 -12.231  -0.642
  562    HB3  ASN  77           HB1      ASN  77  -5.000 -12.489  -2.131
  563   HD21  ASN  77          HD21      ASN  77  -4.070 -14.367  -1.351
  564   HD22  ASN  77          HD22      ASN  77  -2.828 -14.353  -0.144
  565    H    VAL  78           HN       VAL  78  -3.890  -8.324  -0.552
  566    HA   VAL  78           HA       VAL  78  -4.313  -8.500   2.224
  567    HB   VAL  78           HB       VAL  78  -2.613  -7.067   1.204
  568   HG11  VAL  78          HG11      VAL  78  -4.931  -5.367   0.308
  569   HG12  VAL  78          HG12      VAL  78  -3.859  -6.302  -0.730
  570   HG13  VAL  78          HG13      VAL  78  -3.228  -4.929   0.179
  571   HG21  VAL  78          HG21      VAL  78  -4.612  -5.567   2.884
  572   HG22  VAL  78          HG22      VAL  78  -2.953  -5.050   2.585
  573   HG23  VAL  78          HG23      VAL  78  -3.263  -6.547   3.466
  574    H    SER  79           HN       SER  79  -5.812  -7.527   3.575
  575    HA   SER  79           HA       SER  79  -8.252  -6.553   2.272
  576    HB2  SER  79           HB2      SER  79  -7.919  -7.440   5.140
  577    HB3  SER  79           HB1      SER  79  -9.429  -7.150   4.280
  578    HG   SER  79           HG       SER  79  -7.512  -9.187   3.745
  579    H    LEU  80           HN       LEU  80  -7.439  -4.469   1.890
  580    HA   LEU  80           HA       LEU  80  -6.873  -2.839   4.264
  581    HB2  LEU  80           HB2      LEU  80  -5.610  -1.391   2.990
  582    HB3  LEU  80           HB1      LEU  80  -5.251  -2.947   2.264
  583    HG   LEU  80           HG       LEU  80  -7.353  -1.101   1.154
  584   HD11  LEU  80          HD11      LEU  80  -5.723  -0.361  -0.487
  585   HD12  LEU  80          HD12      LEU  80  -4.462  -1.270   0.347
  586   HD13  LEU  80          HD13      LEU  80  -5.244   0.096   1.148
  587   HD21  LEU  80          HD21      LEU  80  -5.938  -3.551   0.191
  588   HD22  LEU  80          HD22      LEU  80  -6.714  -2.433  -0.929
  589   HD23  LEU  80          HD23      LEU  80  -7.671  -3.242   0.309
  590    H    VAL  81           HN       VAL  81  -9.358  -3.620   2.374
  591    HA   VAL  81           HA       VAL  81 -10.413  -1.260   1.399
  592    HB   VAL  81           HB       VAL  81 -11.182  -3.348   0.578
  593   HG11  VAL  81          HG11      VAL  81 -12.586  -4.885   1.866
  594   HG12  VAL  81          HG12      VAL  81 -12.355  -3.886   3.300
  595   HG13  VAL  81          HG13      VAL  81 -10.978  -4.715   2.572
  596   HG21  VAL  81          HG21      VAL  81 -12.745  -1.512   0.401
  597   HG22  VAL  81          HG22      VAL  81 -13.423  -1.910   1.980
  598   HG23  VAL  81          HG23      VAL  81 -13.610  -3.031   0.632
  599    H    LEU  82           HN       LEU  82 -10.238   0.326   2.884
  600    HA   LEU  82           HA       LEU  82 -11.943   0.339   5.231
  601    HB2  LEU  82           HB2      LEU  82  -9.802   1.569   5.250
  602    HB3  LEU  82           HB1      LEU  82 -10.348   2.548   3.904
  603    HG   LEU  82           HG       LEU  82 -12.199   3.394   5.388
  604   HD11  LEU  82          HD11      LEU  82 -10.572   2.056   7.540
  605   HD12  LEU  82          HD12      LEU  82 -12.183   1.575   7.011
  606   HD13  LEU  82          HD13      LEU  82 -11.942   3.137   7.792
  607   HD21  LEU  82          HD21      LEU  82  -9.364   3.928   6.257
  608   HD22  LEU  82          HD22      LEU  82 -10.756   4.958   6.595
  609   HD23  LEU  82          HD23      LEU  82 -10.215   4.723   4.932
  610    H    GLU  83           HN       GLU  83 -13.873  -0.186   4.032
  611    HA   GLU  83           HA       GLU  83 -15.307   1.946   2.882
  612    HB2  GLU  83           HB2      GLU  83 -13.703   1.649   1.060
  613    HB3  GLU  83           HB1      GLU  83 -14.106  -0.068   0.986
  614    HG2  GLU  83           HG2      GLU  83 -16.449   0.591   0.409
  615    HG3  GLU  83           HG1      GLU  83 -15.898   2.261   0.303
  616    H    ALA  84           HN       ALA  84 -14.823  -1.437   2.705
  617    HA   ALA  84           HA       ALA  84 -17.725  -1.890   2.896
  618    HB1  ALA  84           HB1      ALA  84 -16.811  -2.454   0.683
  619    HB2  ALA  84           HB2      ALA  84 -17.478  -3.858   1.516
  620    HB3  ALA  84           HB3      ALA  84 -15.730  -3.623   1.444
  621    H    THR  85           HN       THR  85 -18.486  -3.440   4.241
  622    HA   THR  85           HA       THR  85 -16.552  -4.737   6.032
  623    HB   THR  85           HB       THR  85 -18.738  -5.227   7.359
  624    HG1  THR  85           HG1      THR  85 -19.590  -2.980   5.800
  625   HG21  THR  85          HG21      THR  85 -17.674  -2.411   7.115
  626   HG22  THR  85          HG22      THR  85 -16.997  -3.693   8.120
  627   HG23  THR  85          HG23      THR  85 -18.599  -3.044   8.473
  628    H    GLN  86           HN       GLN  86 -17.205  -5.552   3.310
  629    HA   GLN  86           HA       GLN  86 -18.731  -8.025   3.641
  630    HB2  GLN  86           HB2      GLN  86 -17.675  -6.713   1.119
  631    HB3  GLN  86           HB1      GLN  86 -18.723  -8.122   1.188
  632    HG2  GLN  86           HG2      GLN  86 -19.485  -5.407   2.233
  633    HG3  GLN  86           HG1      GLN  86 -19.872  -5.990   0.617
  634   HE21  GLN  86          HE21      GLN  86 -22.067  -5.834   0.971
  635   HE22  GLN  86          HE22      GLN  86 -22.920  -6.947   1.999
  636    HA   PRO  87           HA       PRO  87 -15.538 -10.902   4.185
  637    HB2  PRO  87           HB2      PRO  87 -16.200 -11.831   1.413
  638    HB3  PRO  87           HB1      PRO  87 -15.892 -12.783   2.870
  639    HG2  PRO  87           HG2      PRO  87 -18.385 -12.265   2.013
  640    HG3  PRO  87           HG1      PRO  87 -17.986 -12.393   3.734
  641    HD2  PRO  87           HD2      PRO  87 -18.752 -10.033   2.175
  642    HD3  PRO  87           HD1      PRO  87 -18.714 -10.253   3.934
  643    HA   PRO  88           HA       PRO  88 -12.252  -8.292   2.279
  644    HB2  PRO  88           HB2      PRO  88 -10.933 -10.058   4.294
  645    HB3  PRO  88           HB1      PRO  88 -10.667  -8.344   3.949
  646    HG2  PRO  88           HG2      PRO  88 -12.127  -9.154   6.050
  647    HG3  PRO  88           HG1      PRO  88 -12.515  -7.678   5.152
  648    HD2  PRO  88           HD2      PRO  88 -13.918 -10.243   5.242
  649    HD3  PRO  88           HD1      PRO  88 -14.511  -8.640   4.796
  650    H    SER  89           HN       SER  89 -10.677  -8.743   0.855
  651    HA   SER  89           HA       SER  89  -9.326 -10.976   0.167
  652    HB2  SER  89           HB2      SER  89 -11.514 -12.169  -0.026
  653    HB3  SER  89           HB1      SER  89 -12.024 -10.999  -1.241
  654    HG   SER  89           HG       SER  89 -10.654 -11.851  -2.680
  655    H    GLU  90           HN       GLU  90  -8.081  -9.082  -0.310
  656    HA   GLU  90           HA       GLU  90  -7.231  -7.428  -1.610
  657    HB2  GLU  90           HB2      GLU  90  -7.449  -9.253  -3.348
  658    HB3  GLU  90           HB1      GLU  90  -8.982  -8.545  -3.815
  659    HG2  GLU  90           HG2      GLU  90  -7.766  -6.440  -4.360
  660    HG3  GLU  90           HG1      GLU  90  -6.258  -7.288  -4.027
  661    H    GLN  91           HN       GLN  91  -9.653  -6.795  -3.849
  662    HA   GLN  91           HA       GLN  91 -11.107  -5.059  -1.978
  663    HB2  GLN  91           HB2      GLN  91  -9.746  -3.638  -3.393
  664    HB3  GLN  91           HB1      GLN  91 -10.353  -4.438  -4.840
  665    HG2  GLN  91           HG2      GLN  91 -12.601  -3.615  -4.349
  666    HG3  GLN  91           HG1      GLN  91 -11.988  -2.804  -2.911
  667   HE21  GLN  91          HE21      GLN  91 -10.808  -0.931  -3.128
  668   HE22  GLN  91          HE22      GLN  91 -10.717  -0.054  -4.614
  669    HA   PRO  92           HA       PRO  92 -14.500  -7.409  -3.813
  670    HB2  PRO  92           HB2      PRO  92 -16.120  -7.228  -1.659
  671    HB3  PRO  92           HB1      PRO  92 -14.844  -8.442  -1.778
  672    HG2  PRO  92           HG2      PRO  92 -14.904  -5.900  -0.231
  673    HG3  PRO  92           HG1      PRO  92 -14.156  -7.450   0.184
  674    HD2  PRO  92           HD2      PRO  92 -12.815  -5.234  -0.816
  675    HD3  PRO  92           HD1      PRO  92 -12.206  -6.898  -0.847
  676    H    GLY  93           HN       GLY  93 -15.550  -6.134  -5.283
  677    HA2  GLY  93           HA2      GLY  93 -16.332  -3.429  -4.436
  678    HA3  GLY  93           HA1      GLY  93 -16.087  -3.956  -6.098
  679    H    THR  94           HN       THR  94 -17.982  -5.193  -3.383
  680    HA   THR  94           HA       THR  94 -20.238  -5.606  -5.180
  681    HB   THR  94           HB       THR  94 -19.716  -7.505  -3.809
  682    HG1  THR  94           HG1      THR  94 -22.046  -6.623  -4.017
  683   HG21  THR  94          HG21      THR  94 -19.922  -7.390  -1.317
  684   HG22  THR  94          HG22      THR  94 -19.938  -5.631  -1.461
  685   HG23  THR  94          HG23      THR  94 -18.524  -6.550  -1.979
  686    H    ASP  95           HN       ASP  95 -19.395  -3.880  -2.228
  687    HA   ASP  95           HA       ASP  95 -20.937  -1.629  -2.871
  688    HB2  ASP  95           HB2      ASP  95 -22.690  -1.683  -1.239
  689    HB3  ASP  95           HB1      ASP  95 -22.801  -3.179  -2.157
  690    H    GLY  96           HN       GLY  96 -20.324   0.091  -1.599
  691    HA2  GLY  96           HA2      GLY  96 -18.932  -0.377   0.894
  692    HA3  GLY  96           HA1      GLY  96 -17.906   0.162  -0.425
  693    H    GLN  97           HN       GLN  97 -19.179   1.269   2.211
  694    HA   GLN  97           HA       GLN  97 -19.668   3.934   1.081
  695    HB2  GLN  97           HB2      GLN  97 -21.138   2.627   3.380
  696    HB3  GLN  97           HB1      GLN  97 -21.223   4.344   3.018
  697    HG2  GLN  97           HG2      GLN  97 -22.086   2.123   1.181
  698    HG3  GLN  97           HG1      GLN  97 -23.154   3.130   2.158
  699   HE21  GLN  97          HE21      GLN  97 -23.041   2.762  -0.735
  700   HE22  GLN  97          HE22      GLN  97 -22.808   4.340  -1.409
  Start of MODEL   13
    1    H    ASP   1           HN       ASP   1  21.350   8.375  -4.728
    2    HA   ASP   1           HA       ASP   1  22.548   9.615  -2.361
    3    HB2  ASP   1           HB2      ASP   1  19.977   9.285  -2.834
    4    HB3  ASP   1           HB1      ASP   1  20.280   7.652  -2.253
    5    HA   PRO   2           HA       PRO   2  25.015   5.919  -1.827
    6    HB2  PRO   2           HB2      PRO   2  25.792   7.053   0.745
    7    HB3  PRO   2           HB1      PRO   2  26.768   6.801  -0.703
    8    HG2  PRO   2           HG2      PRO   2  26.063   9.260   0.177
    9    HG3  PRO   2           HG1      PRO   2  26.307   8.888  -1.539
   10    HD2  PRO   2           HD2      PRO   2  23.750   9.125   0.006
   11    HD3  PRO   2           HD1      PRO   2  24.143   9.719  -1.624
   12    H    VAL   3           HN       VAL   3  22.220   5.766  -1.017
   13    HA   VAL   3           HA       VAL   3  22.340   4.492   1.615
   14    HB   VAL   3           HB       VAL   3  19.862   4.221   1.344
   15   HG11  VAL   3          HG11      VAL   3  20.764   6.070   2.621
   16   HG12  VAL   3          HG12      VAL   3  19.330   6.583   1.732
   17   HG13  VAL   3          HG13      VAL   3  20.936   7.030   1.153
   18   HG21  VAL   3          HG21      VAL   3  19.744   4.258  -1.086
   19   HG22  VAL   3          HG22      VAL   3  20.292   5.935  -1.101
   20   HG23  VAL   3          HG23      VAL   3  18.728   5.525  -0.395
   21    H    LYS   4           HN       LYS   4  21.079   2.402   1.835
   22    HA   LYS   4           HA       LYS   4  22.002   0.461  -0.054
   23    HB2  LYS   4           HB2      LYS   4  20.054   0.237   2.251
   24    HB3  LYS   4           HB1      LYS   4  20.523  -1.122   1.245
   25    HG2  LYS   4           HG2      LYS   4  21.900  -1.361   3.068
   26    HG3  LYS   4           HG1      LYS   4  22.935  -0.493   1.933
   27    HD2  LYS   4           HD2      LYS   4  22.528   1.586   3.055
   28    HD3  LYS   4           HD1      LYS   4  21.300   0.844   4.084
   29    HE2  LYS   4           HE2      LYS   4  23.072  -0.646   5.003
   30    HE3  LYS   4           HE1      LYS   4  24.256   0.271   4.074
   31    HZ1  LYS   4           HZ1      LYS   4  23.761   2.223   5.308
   32    HZ2  LYS   4           HZ2      LYS   4  24.022   0.973   6.427
   33    HZ3  LYS   4           HZ3      LYS   4  22.444   1.483   6.079
   34    HA   PRO   5           HA       PRO   5  18.757   0.457  -3.052
   35    HB2  PRO   5           HB2      PRO   5  18.407  -2.296  -3.286
   36    HB3  PRO   5           HB1      PRO   5  19.583  -1.333  -4.184
   37    HG2  PRO   5           HG2      PRO   5  19.960  -2.991  -1.737
   38    HG3  PRO   5           HG1      PRO   5  21.055  -2.747  -3.108
   39    HD2  PRO   5           HD2      PRO   5  21.455  -1.524  -0.753
   40    HD3  PRO   5           HD1      PRO   5  21.821  -0.714  -2.293
   41    H    SER   6           HN       SER   6  16.792   1.037  -2.479
   42    HA   SER   6           HA       SER   6  14.672   1.016  -1.691
   43    HB2  SER   6           HB2      SER   6  15.110  -1.957  -1.354
   44    HB3  SER   6           HB1      SER   6  13.554  -1.130  -1.405
   45    HG   SER   6           HG       SER   6  14.236  -2.094  -3.428
   46    H    ARG   7           HN       ARG   7  16.912   1.443   0.125
   47    HA   ARG   7           HA       ARG   7  17.259   1.885   2.319
   48    HB2  ARG   7           HB2      ARG   7  14.271   1.668   2.214
   49    HB3  ARG   7           HB1      ARG   7  15.094   1.994   3.732
   50    HG2  ARG   7           HG2      ARG   7  15.333   3.665   1.241
   51    HG3  ARG   7           HG1      ARG   7  14.290   4.024   2.618
   52    HD2  ARG   7           HD2      ARG   7  17.302   3.849   2.631
   53    HD3  ARG   7           HD1      ARG   7  16.333   5.315   2.769
   54    HE   ARG   7           HE       ARG   7  16.216   3.172   4.797
   55   HH11  ARG   7          HH11      ARG   7  16.584   6.556   3.933
   56   HH12  ARG   7          HH12      ARG   7  16.634   7.095   5.589
   57   HH21  ARG   7          HH21      ARG   7  16.283   3.860   6.930
   58   HH22  ARG   7          HH22      ARG   7  16.469   5.551   7.310
   59    H    GLY   8           HN       GLY   8  17.438  -0.973   1.518
   60    HA2  GLY   8           HA2      GLY   8  18.426  -2.284   3.450
   61    HA3  GLY   8           HA1      GLY   8  16.828  -2.138   4.161
   62    HA   PRO   9           HA       PRO   9  16.419  -6.202   2.371
   63    HB2  PRO   9           HB2      PRO   9  13.691  -6.117   3.445
   64    HB3  PRO   9           HB1      PRO   9  15.030  -7.185   3.871
   65    HG2  PRO   9           HG2      PRO   9  14.138  -5.272   5.548
   66    HG3  PRO   9           HG1      PRO   9  15.845  -5.748   5.478
   67    HD2  PRO   9           HD2      PRO   9  14.491  -3.367   4.253
   68    HD3  PRO   9           HD1      PRO   9  16.058  -3.465   5.087
   69    H    LEU  10           HN       LEU  10  15.315  -7.157   0.657
   70    HA   LEU  10           HA       LEU  10  13.748  -5.269  -0.946
   71    HB2  LEU  10           HB2      LEU  10  15.342  -7.696  -1.749
   72    HB3  LEU  10           HB1      LEU  10  14.327  -6.789  -2.848
   73    HG   LEU  10           HG       LEU  10  16.750  -5.711  -1.406
   74   HD11  LEU  10          HD11      LEU  10  17.335  -7.273  -3.178
   75   HD12  LEU  10          HD12      LEU  10  17.737  -5.621  -3.646
   76   HD13  LEU  10          HD13      LEU  10  16.299  -6.398  -4.308
   77   HD21  LEU  10          HD21      LEU  10  16.420  -3.708  -2.723
   78   HD22  LEU  10          HD22      LEU  10  14.980  -4.032  -1.753
   79   HD23  LEU  10          HD23      LEU  10  14.987  -4.409  -3.475
   80    H    VAL  11           HN       VAL  11  11.673  -5.599  -1.159
   81    HA   VAL  11           HA       VAL  11  10.605  -8.324  -1.042
   82    HB   VAL  11           HB       VAL  11   9.520  -5.906   0.421
   83   HG11  VAL  11          HG11      VAL  11   8.216  -8.593   0.032
   84   HG12  VAL  11          HG12      VAL  11   7.679  -7.062  -0.661
   85   HG13  VAL  11          HG13      VAL  11   7.631  -7.304   1.085
   86   HG21  VAL  11          HG21      VAL  11  10.352  -8.625   1.416
   87   HG22  VAL  11          HG22      VAL  11   9.676  -7.326   2.397
   88   HG23  VAL  11          HG23      VAL  11  11.248  -7.120   1.627
   89    H    THR  12           HN       THR  12   9.799  -8.640  -3.031
   90    HA   THR  12           HA       THR  12   8.597  -6.477  -4.496
   91    HB   THR  12           HB       THR  12   8.941  -9.392  -5.107
   92    HG1  THR  12           HG1      THR  12   9.908  -6.980  -6.230
   93   HG21  THR  12          HG21      THR  12   7.864  -8.991  -7.280
   94   HG22  THR  12          HG22      THR  12   7.451  -7.352  -6.764
   95   HG23  THR  12          HG23      THR  12   6.729  -8.740  -5.947
   96    H    CYS  13           HN       CYS  13   6.501  -6.169  -4.917
   97    HA   CYS  13           HA       CYS  13   4.513  -7.906  -3.668
   98    HB2  CYS  13           HB2      CYS  13   4.725  -4.910  -3.284
   99    HB3  CYS  13           HB1      CYS  13   3.389  -5.895  -2.702
  100    H    THR  14           HN       THR  14   2.533  -7.881  -4.783
  101    HA   THR  14           HA       THR  14   2.369  -7.194  -7.448
  102    HB   THR  14           HB       THR  14   0.155  -7.251  -5.377
  103    HG1  THR  14           HG1      THR  14   0.990  -9.196  -7.300
  104   HG21  THR  14          HG21      THR  14  -1.404  -7.527  -7.247
  105   HG22  THR  14          HG22      THR  14  -0.079  -7.329  -8.392
  106   HG23  THR  14          HG23      THR  14  -0.564  -5.978  -7.364
  107    H    CYS  15           HN       CYS  15   1.790  -5.297  -8.547
  108    HA   CYS  15           HA       CYS  15   1.500  -2.944  -6.855
  109    HB2  CYS  15           HB2      CYS  15   3.603  -2.275  -7.356
  110    HB3  CYS  15           HB1      CYS  15   3.797  -3.529  -8.525
  111    H    GLU  16           HN       GLU  16   0.155  -1.476  -7.631
  112    HA   GLU  16           HA       GLU  16  -0.744  -1.554 -10.374
  113    HB2  GLU  16           HB2      GLU  16  -2.144  -3.172  -8.861
  114    HB3  GLU  16           HB1      GLU  16  -2.854  -1.686  -8.239
  115    HG2  GLU  16           HG2      GLU  16  -2.799  -2.376 -11.160
  116    HG3  GLU  16           HG1      GLU  16  -4.118  -2.826 -10.083
  117    H    SER  17           HN       SER  17   0.178   0.435 -10.507
  118    HA   SER  17           HA       SER  17   0.423   2.692 -10.346
  119    HB2  SER  17           HB2      SER  17  -2.404   2.111 -10.028
  120    HB3  SER  17           HB1      SER  17  -1.895   3.621  -9.270
  121    HG   SER  17           HG       SER  17  -2.535   3.832 -11.520
  122    HA   PRO  18           HA       PRO  18   0.040   2.761  -5.625
  123    HB2  PRO  18           HB2      PRO  18   2.120   1.079  -4.783
  124    HB3  PRO  18           HB1      PRO  18   0.418   0.630  -4.898
  125    HG2  PRO  18           HG2      PRO  18   2.596  -0.335  -6.419
  126    HG3  PRO  18           HG1      PRO  18   0.879  -0.691  -6.659
  127    HD2  PRO  18           HD2      PRO  18   2.637   1.221  -8.072
  128    HD3  PRO  18           HD1      PRO  18   1.175   0.371  -8.617
  129    H    HIS  19           HN       HIS  19   3.174   1.788  -5.369
  130    HA   HIS  19           HA       HIS  19   4.345   4.437  -5.604
  131    HB2  HIS  19           HB2      HIS  19   5.936   3.353  -3.762
  132    HB3  HIS  19           HB1      HIS  19   4.442   4.178  -3.308
  133    HD1  HIS  19           HD1      HIS  19   2.286   2.479  -3.059
  134    HD2  HIS  19           HD2      HIS  19   6.058   0.803  -3.034
  135    HE1  HIS  19           HE1      HIS  19   1.952   0.031  -2.459
  136    HE2  HIS  19           HE2      HIS  19   4.293  -0.740  -1.958
  137    H    CYS  20           HN       CYS  20   3.808   2.411  -7.419
  138    HA   CYS  20           HA       CYS  20   6.459   1.852  -8.486
  139    HB2  CYS  20           HB2      CYS  20   6.172  -0.316  -7.721
  140    HB3  CYS  20           HB1      CYS  20   4.433  -0.132  -7.596
  141    H    LYS  21           HN       LYS  21   6.220   1.548 -10.881
  142    HA   LYS  21           HA       LYS  21   3.735   2.876 -11.669
  143    HB2  LYS  21           HB2      LYS  21   5.963   3.955 -12.229
  144    HB3  LYS  21           HB1      LYS  21   6.196   2.655 -13.388
  145    HG2  LYS  21           HG2      LYS  21   5.347   4.513 -14.590
  146    HG3  LYS  21           HG1      LYS  21   4.038   3.342 -14.464
  147    HD2  LYS  21           HD2      LYS  21   4.336   5.667 -12.567
  148    HD3  LYS  21           HD1      LYS  21   3.428   5.775 -14.072
  149    HE2  LYS  21           HE2      LYS  21   2.866   3.796 -11.864
  150    HE3  LYS  21           HE1      LYS  21   2.015   5.324 -12.075
  151    HZ1  LYS  21           HZ1      LYS  21   2.111   3.249 -14.197
  152    HZ2  LYS  21           HZ2      LYS  21   1.074   4.584 -14.086
  153    HZ3  LYS  21           HZ3      LYS  21   0.901   3.286 -13.012
  154    H    GLY  22           HN       GLY  22   3.192   0.245 -11.199
  155    HA2  GLY  22           HA2      GLY  22   1.445  -0.128 -13.089
  156    HA3  GLY  22           HA1      GLY  22   2.867  -0.617 -13.977
  157    HA   PRO  23           HA       PRO  23   2.291  -4.534 -12.505
  158    HB2  PRO  23           HB2      PRO  23   4.801  -5.489 -13.079
  159    HB3  PRO  23           HB1      PRO  23   3.653  -4.911 -14.284
  160    HG2  PRO  23           HG2      PRO  23   6.156  -3.715 -13.542
  161    HG3  PRO  23           HG1      PRO  23   4.975  -3.105 -14.714
  162    HD2  PRO  23           HD2      PRO  23   5.307  -2.420 -11.823
  163    HD3  PRO  23           HD1      PRO  23   4.758  -1.376 -13.156
  164    H    THR  24           HN       THR  24   5.642  -4.551 -11.518
  165    HA   THR  24           HA       THR  24   5.013  -5.136  -8.755
  166    HB   THR  24           HB       THR  24   6.365  -7.261  -8.787
  167    HG1  THR  24           HG1      THR  24   6.364  -6.675 -11.517
  168   HG21  THR  24          HG21      THR  24   3.928  -7.375  -8.667
  169   HG22  THR  24          HG22      THR  24   4.579  -8.716  -9.614
  170   HG23  THR  24          HG23      THR  24   3.834  -7.339 -10.431
  171    H    CYS  25           HN       CYS  25   6.907  -4.971  -7.424
  172    HA   CYS  25           HA       CYS  25   9.367  -4.211  -8.807
  173    HB2  CYS  25           HB2      CYS  25   9.392  -2.024  -8.091
  174    HB3  CYS  25           HB1      CYS  25   7.649  -2.260  -8.241
  175    H    ARG  26           HN       ARG  26  11.211  -4.254  -7.506
  176    HA   ARG  26           HA       ARG  26  10.946  -5.771  -5.019
  177    HB2  ARG  26           HB2      ARG  26  13.455  -4.988  -6.521
  178    HB3  ARG  26           HB1      ARG  26  13.397  -5.971  -5.059
  179    HG2  ARG  26           HG2      ARG  26  11.879  -7.533  -6.381
  180    HG3  ARG  26           HG1      ARG  26  12.409  -6.645  -7.808
  181    HD2  ARG  26           HD2      ARG  26  14.734  -7.233  -7.302
  182    HD3  ARG  26           HD1      ARG  26  14.197  -8.124  -5.874
  183    HE   ARG  26           HE       ARG  26  13.687  -8.868  -8.680
  184   HH11  ARG  26          HH11      ARG  26  13.755  -9.701  -5.276
  185   HH12  ARG  26          HH12      ARG  26  13.301 -11.360  -5.542
  186   HH21  ARG  26          HH21      ARG  26  13.083 -11.042  -9.028
  187   HH22  ARG  26          HH22      ARG  26  12.902 -12.120  -7.678
  188    H    GLY  27           HN       GLY  27  10.466  -4.556  -3.346
  189    HA2  GLY  27           HA2      GLY  27  11.726  -1.894  -3.155
  190    HA3  GLY  27           HA1      GLY  27  10.109  -2.261  -2.576
  191    H    ALA  28           HN       ALA  28   9.960  -2.460  -0.547
  192    HA   ALA  28           HA       ALA  28  12.253  -3.474   1.030
  193    HB1  ALA  28           HB1      ALA  28  12.104  -1.003   1.232
  194    HB2  ALA  28           HB2      ALA  28  11.867  -1.839   2.767
  195    HB3  ALA  28           HB3      ALA  28  10.477  -1.189   1.897
  196    H    TRP  29           HN       TRP  29   8.852  -3.127   0.616
  197    HA   TRP  29           HA       TRP  29   8.170  -5.529   1.864
  198    HB2  TRP  29           HB2      TRP  29   6.902  -4.653   3.816
  199    HB3  TRP  29           HB1      TRP  29   8.639  -4.428   3.974
  200    HD1  TRP  29           HD1      TRP  29   7.705  -1.763   1.725
  201    HE1  TRP  29           HE1      TRP  29   7.268   0.434   2.978
  202    HE3  TRP  29           HE3      TRP  29   7.267  -3.597   6.479
  203    HZ2  TRP  29           HZ2      TRP  29   6.817   1.283   5.595
  204    HZ3  TRP  29           HZ3      TRP  29   6.827  -2.011   8.307
  205    HH2  TRP  29           HH2      TRP  29   6.603   0.384   7.873
  206    H    CYS  30           HN       CYS  30   5.593  -5.314   2.447
  207    HA   CYS  30           HA       CYS  30   4.513  -4.355  -0.096
  208    HB2  CYS  30           HB2      CYS  30   3.493  -6.311   1.958
  209    HB3  CYS  30           HB1      CYS  30   2.445  -5.660   0.701
  210    H    THR  31           HN       THR  31   3.340  -2.585  -0.196
  211    HA   THR  31           HA       THR  31   1.980  -1.672   2.225
  212    HB   THR  31           HB       THR  31   2.590   0.724   1.467
  213    HG1  THR  31           HG1      THR  31   5.033  -0.056   0.607
  214   HG21  THR  31          HG21      THR  31   3.386  -0.281   3.543
  215   HG22  THR  31          HG22      THR  31   4.671   0.660   2.781
  216   HG23  THR  31          HG23      THR  31   4.682  -1.100   2.668
  217    H    VAL  32           HN       VAL  32  -0.004  -0.920   1.892
  218    HA   VAL  32           HA       VAL  32  -0.885  -0.601  -0.899
  219    HB   VAL  32           HB       VAL  32  -2.954  -1.717  -0.366
  220   HG11  VAL  32          HG11      VAL  32  -1.089  -3.108  -1.098
  221   HG12  VAL  32          HG12      VAL  32  -2.128  -3.986   0.025
  222   HG13  VAL  32          HG13      VAL  32  -0.590  -3.326   0.578
  223   HG21  VAL  32          HG21      VAL  32  -1.847  -2.085   2.406
  224   HG22  VAL  32          HG22      VAL  32  -3.355  -2.770   1.793
  225   HG23  VAL  32          HG23      VAL  32  -3.182  -1.021   1.948
  226    H    VAL  33           HN       VAL  33  -2.690   0.803  -1.189
  227    HA   VAL  33           HA       VAL  33  -3.511   2.486   1.007
  228    HB   VAL  33           HB       VAL  33  -2.765   4.369  -0.958
  229   HG11  VAL  33          HG11      VAL  33  -1.426   5.299   0.822
  230   HG12  VAL  33          HG12      VAL  33  -1.474   3.770   1.706
  231   HG13  VAL  33          HG13      VAL  33  -2.957   4.706   1.468
  232   HG21  VAL  33          HG21      VAL  33  -1.140   2.680  -1.788
  233   HG22  VAL  33          HG22      VAL  33  -0.400   2.664  -0.183
  234   HG23  VAL  33          HG23      VAL  33  -0.375   4.137  -1.151
  235    H    LEU  34           HN       LEU  34  -5.636   2.842   0.715
  236    HA   LEU  34           HA       LEU  34  -6.745   2.835  -1.971
  237    HB2  LEU  34           HB2      LEU  34  -8.032   1.841  -0.079
  238    HB3  LEU  34           HB1      LEU  34  -8.145   3.438   0.641
  239    HG   LEU  34           HG       LEU  34  -9.366   4.210  -1.442
  240   HD11  LEU  34          HD11      LEU  34  -9.380   1.248  -2.016
  241   HD12  LEU  34          HD12      LEU  34  -8.576   2.499  -2.965
  242   HD13  LEU  34          HD13      LEU  34 -10.336   2.463  -2.860
  243   HD21  LEU  34          HD21      LEU  34 -11.482   3.151  -0.837
  244   HD22  LEU  34          HD22      LEU  34 -10.576   3.638   0.595
  245   HD23  LEU  34          HD23      LEU  34 -10.619   1.943   0.115
  246    H    VAL  35           HN       VAL  35  -6.378   4.574  -3.119
  247    HA   VAL  35           HA       VAL  35  -6.283   7.197  -1.869
  248    HB   VAL  35           HB       VAL  35  -6.004   6.419  -4.784
  249   HG11  VAL  35          HG11      VAL  35  -6.709   8.736  -4.508
  250   HG12  VAL  35          HG12      VAL  35  -5.041   8.654  -5.079
  251   HG13  VAL  35          HG13      VAL  35  -5.374   9.021  -3.388
  252   HG21  VAL  35          HG21      VAL  35  -4.236   5.452  -3.405
  253   HG22  VAL  35          HG22      VAL  35  -3.860   7.050  -2.760
  254   HG23  VAL  35          HG23      VAL  35  -3.606   6.707  -4.471
  255    H    ARG  36           HN       ARG  36  -7.987   8.595  -1.906
  256    HA   ARG  36           HA       ARG  36 -10.469   7.862  -3.012
  257    HB2  ARG  36           HB2      ARG  36  -9.498  10.003  -1.434
  258    HB3  ARG  36           HB1      ARG  36 -10.228  10.707  -2.872
  259    HG2  ARG  36           HG2      ARG  36 -11.864  10.527  -1.108
  260    HG3  ARG  36           HG1      ARG  36 -12.285   9.456  -2.445
  261    HD2  ARG  36           HD2      ARG  36 -11.228   7.574  -1.181
  262    HD3  ARG  36           HD1      ARG  36 -11.013   8.681   0.179
  263    HE   ARG  36           HE       ARG  36 -13.463   7.432  -0.680
  264   HH11  ARG  36          HH11      ARG  36 -12.094  10.126   1.095
  265   HH12  ARG  36          HH12      ARG  36 -13.486  10.318   2.118
  266   HH21  ARG  36          HH21      ARG  36 -15.285   7.659   0.700
  267   HH22  ARG  36          HH22      ARG  36 -15.291   8.915   1.897
  268    H    GLU  37           HN       GLU  37 -10.587   7.440  -5.025
  269    HA   GLU  37           HA       GLU  37  -8.875   8.106  -7.039
  270    HB2  GLU  37           HB2      GLU  37 -10.526   6.259  -6.977
  271    HB3  GLU  37           HB1      GLU  37 -11.777   7.431  -7.346
  272    HG2  GLU  37           HG2      GLU  37  -9.660   7.726  -9.222
  273    HG3  GLU  37           HG1      GLU  37 -10.148   6.033  -9.156
  274    H    GLU  38           HN       GLU  38  -8.392  10.119  -7.409
  275    HA   GLU  38           HA       GLU  38  -8.540  12.342  -7.712
  276    HB2  GLU  38           HB2      GLU  38  -9.004  11.327  -9.955
  277    HB3  GLU  38           HB1      GLU  38 -10.718  11.546  -9.636
  278    HG2  GLU  38           HG2      GLU  38 -10.427  13.943  -9.538
  279    HG3  GLU  38           HG1      GLU  38  -8.685  13.758  -9.760
  280    H    GLY  39           HN       GLY  39  -9.460  12.440  -5.482
  281    HA2  GLY  39           HA2      GLY  39 -10.679  14.208  -4.454
  282    HA3  GLY  39           HA1      GLY  39 -11.904  14.045  -5.699
  283    H    ARG  40           HN       ARG  40 -12.773  11.497  -5.619
  284    HA   ARG  40           HA       ARG  40 -13.649  11.261  -2.822
  285    HB2  ARG  40           HB2      ARG  40 -15.898  11.651  -3.215
  286    HB3  ARG  40           HB1      ARG  40 -15.100  12.869  -4.194
  287    HG2  ARG  40           HG2      ARG  40 -16.120  10.251  -5.281
  288    HG3  ARG  40           HG1      ARG  40 -17.054  11.744  -5.272
  289    HD2  ARG  40           HD2      ARG  40 -14.395  11.358  -6.647
  290    HD3  ARG  40           HD1      ARG  40 -15.965  11.297  -7.437
  291    HE   ARG  40           HE       ARG  40 -15.764  13.743  -6.079
  292   HH11  ARG  40          HH11      ARG  40 -14.334  12.091  -8.827
  293   HH12  ARG  40          HH12      ARG  40 -13.991  13.554  -9.694
  294   HH21  ARG  40          HH21      ARG  40 -15.331  15.671  -7.227
  295   HH22  ARG  40          HH22      ARG  40 -14.562  15.585  -8.786
  296    H    HIS  41           HN       HIS  41 -13.187   9.604  -5.852
  297    HA   HIS  41           HA       HIS  41 -14.878   7.371  -5.133
  298    HB2  HIS  41           HB2      HIS  41 -12.831   7.611  -7.345
  299    HB3  HIS  41           HB1      HIS  41 -14.006   6.316  -7.170
  300    HD1  HIS  41           HD1      HIS  41 -16.625   7.269  -7.239
  301    HD2  HIS  41           HD2      HIS  41 -13.630   9.560  -8.982
  302    HE1  HIS  41           HE1      HIS  41 -17.801   8.833  -8.817
  303    HE2  HIS  41           HE2      HIS  41 -15.945  10.021 -10.047
  304    HA   PRO  42           HA       PRO  42 -11.295   5.044  -3.548
  305    HB2  PRO  42           HB2      PRO  42 -12.237   2.565  -3.621
  306    HB3  PRO  42           HB1      PRO  42 -13.099   3.803  -2.699
  307    HG2  PRO  42           HG2      PRO  42 -13.795   2.571  -5.316
  308    HG3  PRO  42           HG1      PRO  42 -14.864   3.212  -4.060
  309    HD2  PRO  42           HD2      PRO  42 -13.922   4.559  -6.435
  310    HD3  PRO  42           HD1      PRO  42 -14.985   5.195  -5.166
  311    H    GLN  43           HN       GLN  43  -9.362   4.780  -4.656
  312    HA   GLN  43           HA       GLN  43  -9.327   2.575  -6.581
  313    HB2  GLN  43           HB2      GLN  43  -7.476   3.705  -7.730
  314    HB3  GLN  43           HB1      GLN  43  -8.943   4.668  -7.687
  315    HG2  GLN  43           HG2      GLN  43  -8.073   6.067  -5.966
  316    HG3  GLN  43           HG1      GLN  43  -6.630   5.063  -5.835
  317   HE21  GLN  43          HE21      GLN  43  -8.013   5.718  -8.954
  318   HE22  GLN  43          HE22      GLN  43  -6.775   6.805  -9.488
  319    H    GLU  44           HN       GLU  44  -8.236   0.887  -5.923
  320    HA   GLU  44           HA       GLU  44  -6.653   1.030  -3.497
  321    HB2  GLU  44           HB2      GLU  44  -6.647  -1.459  -3.675
  322    HB3  GLU  44           HB1      GLU  44  -8.254  -0.749  -3.600
  323    HG2  GLU  44           HG2      GLU  44  -8.445  -0.984  -6.038
  324    HG3  GLU  44           HG1      GLU  44  -6.859  -1.746  -6.073
  325    H    HIS  45           HN       HIS  45  -4.621   1.707  -3.768
  326    HA   HIS  45           HA       HIS  45  -3.126   0.579  -6.034
  327    HB2  HIS  45           HB2      HIS  45  -2.842   3.213  -4.599
  328    HB3  HIS  45           HB1      HIS  45  -1.562   2.576  -5.616
  329    HD1  HIS  45           HD1      HIS  45  -2.566   5.125  -6.664
  330    HD2  HIS  45           HD2      HIS  45  -4.546   1.553  -7.479
  331    HE1  HIS  45           HE1      HIS  45  -3.963   5.566  -8.705
  332    HE2  HIS  45           HE2      HIS  45  -5.098   3.380  -9.223
  333    H    ARG  46           HN       ARG  46  -1.976  -1.068  -5.472
  334    HA   ARG  46           HA       ARG  46  -0.780  -1.193  -2.773
  335    HB2  ARG  46           HB2      ARG  46  -1.129  -3.755  -3.162
  336    HB3  ARG  46           HB1      ARG  46  -2.483  -2.761  -2.635
  337    HG2  ARG  46           HG2      ARG  46  -3.256  -2.620  -4.972
  338    HG3  ARG  46           HG1      ARG  46  -1.929  -3.681  -5.453
  339    HD2  ARG  46           HD2      ARG  46  -2.812  -5.486  -4.173
  340    HD3  ARG  46           HD1      ARG  46  -3.994  -4.434  -3.397
  341    HE   ARG  46           HE       ARG  46  -4.319  -4.485  -6.231
  342   HH11  ARG  46          HH11      ARG  46  -4.974  -6.288  -3.313
  343   HH12  ARG  46          HH12      ARG  46  -6.389  -7.066  -3.947
  344   HH21  ARG  46          HH21      ARG  46  -6.176  -5.504  -7.092
  345   HH22  ARG  46          HH22      ARG  46  -7.087  -6.594  -6.090
  346    H    GLY  47           HN       GLY  47   1.329  -1.973  -2.601
  347    HA2  GLY  47           HA2      GLY  47   2.647  -3.413  -4.704
  348    HA3  GLY  47           HA1      GLY  47   3.049  -1.703  -4.791
  349    H    CYS  48           HN       CYS  48   5.191  -1.925  -4.312
  350    HA   CYS  48           HA       CYS  48   5.977  -3.208  -1.769
  351    HB2  CYS  48           HB2      CYS  48   8.221  -3.087  -3.325
  352    HB3  CYS  48           HB1      CYS  48   7.159  -4.488  -3.230
  353    H    GLY  49           HN       GLY  49   6.431  -1.623  -0.321
  354    HA2  GLY  49           HA2      GLY  49   6.845   1.090  -1.171
  355    HA3  GLY  49           HA1      GLY  49   6.964   0.483   0.487
  356    H    ASN  50           HN       ASN  50   8.723   2.041  -1.716
  357    HA   ASN  50           HA       ASN  50  11.080   0.339  -1.546
  358    HB2  ASN  50           HB2      ASN  50  10.175   1.461  -3.705
  359    HB3  ASN  50           HB1      ASN  50  10.978   2.900  -3.089
  360   HD21  ASN  50          HD21      ASN  50  11.389  -0.310  -4.309
  361   HD22  ASN  50          HD22      ASN  50  13.095  -0.212  -4.582
  362    H    LEU  51           HN       LEU  51  10.861   3.907  -1.543
  363    HA   LEU  51           HA       LEU  51  12.907   3.841   0.576
  364    HB2  LEU  51           HB2      LEU  51  12.433   5.952  -1.528
  365    HB3  LEU  51           HB1      LEU  51  13.710   5.963  -0.327
  366    HG   LEU  51           HG       LEU  51  13.439   3.849  -2.470
  367   HD11  LEU  51          HD11      LEU  51  15.261   4.998  -3.610
  368   HD12  LEU  51          HD12      LEU  51  15.235   6.274  -2.393
  369   HD13  LEU  51          HD13      LEU  51  13.852   6.049  -3.465
  370   HD21  LEU  51          HD21      LEU  51  15.706   4.553  -0.608
  371   HD22  LEU  51          HD22      LEU  51  15.741   3.316  -1.864
  372   HD23  LEU  51          HD23      LEU  51  14.662   3.138  -0.480
  373    H    HIS  52           HN       HIS  52   9.838   4.065   0.686
  374    HA   HIS  52           HA       HIS  52   9.823   6.442   2.422
  375    HB2  HIS  52           HB2      HIS  52   7.651   5.496   0.558
  376    HB3  HIS  52           HB1      HIS  52   7.344   6.610   1.882
  377    HD1  HIS  52           HD1      HIS  52   7.328   6.999  -1.407
  378    HD2  HIS  52           HD2      HIS  52   9.900   8.621   1.433
  379    HE1  HIS  52           HE1      HIS  52   8.278   9.073  -2.457
  380    HE2  HIS  52           HE2      HIS  52   9.702  10.127  -0.668
  381    H    ARG  53           HN       ARG  53   9.356   6.073   4.450
  382    HA   ARG  53           HA       ARG  53   8.389   3.442   5.262
  383    HB2  ARG  53           HB2      ARG  53  10.365   4.514   6.356
  384    HB3  ARG  53           HB1      ARG  53   9.306   5.783   6.948
  385    HG2  ARG  53           HG2      ARG  53   9.836   4.077   8.643
  386    HG3  ARG  53           HG1      ARG  53   8.110   4.225   8.321
  387    HD2  ARG  53           HD2      ARG  53   8.973   1.872   8.536
  388    HD3  ARG  53           HD1      ARG  53   8.077   2.221   7.059
  389    HE   ARG  53           HE       ARG  53  10.567   2.615   6.222
  390   HH11  ARG  53          HH11      ARG  53   9.330   0.048   8.262
  391   HH12  ARG  53          HH12      ARG  53  10.397  -1.155   7.600
  392   HH21  ARG  53          HH21      ARG  53  11.965   1.043   5.361
  393   HH22  ARG  53          HH22      ARG  53  11.885  -0.594   5.950
  394    H    GLU  54           HN       GLU  54   7.314   6.643   4.808
  395    HA   GLU  54           HA       GLU  54   5.104   6.827   6.509
  396    HB2  GLU  54           HB2      GLU  54   4.231   8.457   4.883
  397    HB3  GLU  54           HB1      GLU  54   5.938   8.721   5.217
  398    HG2  GLU  54           HG2      GLU  54   6.597   7.877   3.142
  399    HG3  GLU  54           HG1      GLU  54   5.039   7.102   2.862
  400    H    LEU  55           HN       LEU  55   5.626   4.690   3.950
  401    HA   LEU  55           HA       LEU  55   3.015   4.579   2.863
  402    HB2  LEU  55           HB2      LEU  55   5.346   2.685   2.665
  403    HB3  LEU  55           HB1      LEU  55   3.859   2.508   1.753
  404    HG   LEU  55           HG       LEU  55   5.754   4.853   1.564
  405   HD11  LEU  55          HD11      LEU  55   5.222   2.585  -0.349
  406   HD12  LEU  55          HD12      LEU  55   6.694   2.833   0.589
  407   HD13  LEU  55          HD13      LEU  55   6.246   3.986  -0.667
  408   HD21  LEU  55          HD21      LEU  55   3.280   4.196  -0.032
  409   HD22  LEU  55          HD22      LEU  55   4.373   5.551  -0.317
  410   HD23  LEU  55          HD23      LEU  55   3.423   5.483   1.166
  411    H    CYS  56           HN       CYS  56   3.884   3.718   5.873
  412    HA   CYS  56           HA       CYS  56   1.645   1.814   5.923
  413    HB2  CYS  56           HB2      CYS  56   3.838   0.675   6.368
  414    HB3  CYS  56           HB1      CYS  56   4.019   1.691   7.795
  415    H    ARG  57           HN       ARG  57   2.261   4.834   6.467
  416    HA   ARG  57           HA       ARG  57   1.029   4.935   9.131
  417    HB2  ARG  57           HB2      ARG  57   2.621   7.004   7.621
  418    HB3  ARG  57           HB1      ARG  57   1.775   7.335   9.126
  419    HG2  ARG  57           HG2      ARG  57   3.979   5.319   8.749
  420    HG3  ARG  57           HG1      ARG  57   4.136   6.900   9.516
  421    HD2  ARG  57           HD2      ARG  57   2.561   6.231  11.251
  422    HD3  ARG  57           HD1      ARG  57   2.352   4.662  10.473
  423    HE   ARG  57           HE       ARG  57   5.089   5.120  11.050
  424   HH11  ARG  57          HH11      ARG  57   2.054   4.318  12.601
  425   HH12  ARG  57          HH12      ARG  57   2.804   3.470  13.919
  426   HH21  ARG  57          HH21      ARG  57   6.079   4.033  12.775
  427   HH22  ARG  57          HH22      ARG  57   5.107   3.327  14.032
  428    H    GLY  58           HN       GLY  58  -1.021   5.377   9.273
  429    HA2  GLY  58           HA2      GLY  58  -2.384   6.748   7.056
  430    HA3  GLY  58           HA1      GLY  58  -3.164   5.825   8.334
  431    H    ARG  59           HN       ARG  59  -2.875   8.835   7.217
  432    HA   ARG  59           HA       ARG  59  -2.960  10.040   9.903
  433    HB2  ARG  59           HB2      ARG  59  -1.842  11.379   7.436
  434    HB3  ARG  59           HB1      ARG  59  -1.793  11.979   9.086
  435    HG2  ARG  59           HG2      ARG  59  -0.337  10.068   9.688
  436    HG3  ARG  59           HG1      ARG  59  -0.315   9.595   7.989
  437    HD2  ARG  59           HD2      ARG  59   1.651  10.840   8.319
  438    HD3  ARG  59           HD1      ARG  59   0.532  11.931   7.501
  439    HE   ARG  59           HE       ARG  59   0.899  12.011  10.430
  440   HH11  ARG  59          HH11      ARG  59   0.768  13.606   7.311
  441   HH12  ARG  59          HH12      ARG  59   1.060  15.186   7.969
  442   HH21  ARG  59          HH21      ARG  59   1.280  14.102  11.294
  443   HH22  ARG  59          HH22      ARG  59   1.330  15.475  10.220
  444    HA   PRO  60           HA       PRO  60  -6.826  11.940   8.700
  445    HB2  PRO  60           HB2      PRO  60  -5.846  14.352  10.119
  446    HB3  PRO  60           HB1      PRO  60  -7.314  13.406  10.387
  447    HG2  PRO  60           HG2      PRO  60  -5.258  13.273  12.086
  448    HG3  PRO  60           HG1      PRO  60  -6.222  11.837  11.694
  449    HD2  PRO  60           HD2      PRO  60  -3.517  12.636  10.695
  450    HD3  PRO  60           HD1      PRO  60  -4.123  11.029  11.148
  451    H    THR  61           HN       THR  61  -6.416  12.146   6.511
  452    HA   THR  61           HA       THR  61  -6.137  14.874   5.630
  453    HB   THR  61           HB       THR  61  -3.838  14.366   5.455
  454    HG1  THR  61           HG1      THR  61  -4.638  15.278   3.513
  455   HG21  THR  61          HG21      THR  61  -3.880  11.980   5.806
  456   HG22  THR  61          HG22      THR  61  -2.945  12.341   4.355
  457   HG23  THR  61          HG23      THR  61  -4.588  11.720   4.214
  458    H    GLU  62           HN       GLU  62  -5.577  12.842   3.033
  459    HA   GLU  62           HA       GLU  62  -8.313  12.860   2.158
  460    HB2  GLU  62           HB2      GLU  62  -5.853  11.537   1.050
  461    HB3  GLU  62           HB1      GLU  62  -7.402  11.609   0.230
  462    HG2  GLU  62           HG2      GLU  62  -7.258  14.024   0.103
  463    HG3  GLU  62           HG1      GLU  62  -5.739  13.997   1.003
  464    H    PHE  63           HN       PHE  63  -7.887  11.434   4.561
  465    HA   PHE  63           HA       PHE  63  -8.093   9.451   5.681
  466    HB2  PHE  63           HB2      PHE  63  -9.838   8.813   3.292
  467    HB3  PHE  63           HB1      PHE  63  -9.884   7.994   4.851
  468    HD1  PHE  63           HD1      PHE  63 -10.701   9.173   6.845
  469    HD2  PHE  63           HD2      PHE  63 -10.910  10.904   2.963
  470    HE1  PHE  63           HE1      PHE  63 -12.361  10.800   7.662
  471    HE2  PHE  63           HE2      PHE  63 -12.565  12.534   3.774
  472    HZ   PHE  63           HZ       PHE  63 -13.274  12.506   6.112
  473    H    VAL  64           HN       VAL  64  -5.832   9.592   3.866
  474    HA   VAL  64           HA       VAL  64  -5.447   7.419   2.224
  475    HB   VAL  64           HB       VAL  64  -3.893   9.350   2.478
  476   HG11  VAL  64          HG11      VAL  64  -2.966   7.878   4.934
  477   HG12  VAL  64          HG12      VAL  64  -3.715   9.472   4.876
  478   HG13  VAL  64          HG13      VAL  64  -2.114   9.225   4.179
  479   HG21  VAL  64          HG21      VAL  64  -2.640   6.618   2.648
  480   HG22  VAL  64          HG22      VAL  64  -1.841   8.074   2.060
  481   HG23  VAL  64          HG23      VAL  64  -3.227   7.418   1.191
  482    H    ASN  65           HN       ASN  65  -4.654   5.310   2.491
  483    HA   ASN  65           HA       ASN  65  -4.835   4.276   5.234
  484    HB2  ASN  65           HB2      ASN  65  -6.991   3.846   4.118
  485    HB3  ASN  65           HB1      ASN  65  -6.151   3.053   2.790
  486   HD21  ASN  65          HD21      ASN  65  -7.046   1.064   3.034
  487   HD22  ASN  65          HD22      ASN  65  -6.798   0.058   4.416
  488    H    HIS  66           HN       HIS  66  -2.547   4.273   5.126
  489    HA   HIS  66           HA       HIS  66  -1.235   2.636   3.126
  490    HB2  HIS  66           HB2      HIS  66  -0.252   4.223   5.472
  491    HB3  HIS  66           HB1      HIS  66   0.811   3.161   4.576
  492    HD1  HIS  66           HD1      HIS  66  -0.162   6.564   4.828
  493    HD2  HIS  66           HD2      HIS  66   0.945   4.043   1.712
  494    HE1  HIS  66           HE1      HIS  66   0.585   8.081   2.964
  495    HE2  HIS  66           HE2      HIS  66   1.070   6.543   1.027
  496    H    TYR  67           HN       TYR  67  -1.867   0.466   3.511
  497    HA   TYR  67           HA       TYR  67  -1.217  -0.590   6.190
  498    HB2  TYR  67           HB2      TYR  67  -3.379  -1.276   5.296
  499    HB3  TYR  67           HB1      TYR  67  -2.615  -1.874   3.837
  500    HD1  TYR  67           HD1      TYR  67  -2.963  -2.452   7.465
  501    HD2  TYR  67           HD2      TYR  67  -1.681  -4.063   3.743
  502    HE1  TYR  67           HE1      TYR  67  -2.739  -4.663   8.510
  503    HE2  TYR  67           HE2      TYR  67  -1.452  -6.283   4.778
  504    HH   TYR  67           HH       TYR  67  -1.063  -7.193   7.122
  505    H    CYS  68           HN       CYS  68   0.577  -1.837   6.559
  506    HA   CYS  68           HA       CYS  68   2.166  -2.554   4.183
  507    HB2  CYS  68           HB2      CYS  68   4.169  -2.371   5.593
  508    HB3  CYS  68           HB1      CYS  68   3.288  -0.854   5.503
  509    H    CYS  69           HN       CYS  69   3.150  -4.532   4.082
  510    HA   CYS  69           HA       CYS  69   2.726  -6.414   6.308
  511    HB2  CYS  69           HB2      CYS  69   1.319  -6.909   4.224
  512    HB3  CYS  69           HB1      CYS  69   2.846  -7.242   3.412
  513    H    ASP  70           HN       ASP  70   4.379  -8.300   6.054
  514    HA   ASP  70           HA       ASP  70   6.967  -6.947   5.634
  515    HB2  ASP  70           HB2      ASP  70   6.056  -8.727   7.884
  516    HB3  ASP  70           HB1      ASP  70   7.756  -8.395   7.578
  517    H    SER  71           HN       SER  71   5.553  -8.852   3.784
  518    HA   SER  71           HA       SER  71   7.852 -10.537   3.345
  519    HB2  SER  71           HB2      SER  71   6.444 -12.577   3.039
  520    HB3  SER  71           HB1      SER  71   6.481 -12.014   4.709
  521    HG   SER  71           HG       SER  71   4.424 -11.465   4.604
  522    H    HIS  72           HN       HIS  72   7.955 -11.284   1.148
  523    HA   HIS  72           HA       HIS  72   6.978  -9.396  -0.693
  524    HB2  HIS  72           HB2      HIS  72   7.993 -10.794  -2.422
  525    HB3  HIS  72           HB1      HIS  72   9.074 -10.597  -1.052
  526    HD1  HIS  72           HD1      HIS  72   9.625 -12.693   0.345
  527    HD2  HIS  72           HD2      HIS  72   7.133 -13.412  -2.905
  528    HE1  HIS  72           HE1      HIS  72   9.588 -15.192   0.057
  529    HE2  HIS  72           HE2      HIS  72   8.284 -15.571  -2.068
  530    H    LEU  73           HN       LEU  73   5.365  -9.415  -2.134
  531    HA   LEU  73           HA       LEU  73   3.398  -9.904  -3.143
  532    HB2  LEU  73           HB2      LEU  73   4.135 -12.783  -2.634
  533    HB3  LEU  73           HB1      LEU  73   2.956 -12.198  -3.796
  534    HG   LEU  73           HG       LEU  73   5.952 -11.861  -3.898
  535   HD11  LEU  73          HD11      LEU  73   4.000 -13.195  -5.761
  536   HD12  LEU  73          HD12      LEU  73   5.086 -14.019  -4.641
  537   HD13  LEU  73          HD13      LEU  73   5.747 -13.088  -5.986
  538   HD21  LEU  73          HD21      LEU  73   5.591 -10.626  -5.988
  539   HD22  LEU  73          HD22      LEU  73   4.934  -9.775  -4.589
  540   HD23  LEU  73          HD23      LEU  73   3.852 -10.639  -5.683
  541    H    CYS  74           HN       CYS  74   3.389  -9.410  -0.357
  542    HA   CYS  74           HA       CYS  74   1.416 -11.254   0.764
  543    HB2  CYS  74           HB2      CYS  74   3.252 -10.594   2.241
  544    HB3  CYS  74           HB1      CYS  74   2.841  -8.897   2.023
  545    H    ASN  75           HN       ASN  75   1.681  -8.142  -0.661
  546    HA   ASN  75           HA       ASN  75  -0.906  -7.239   0.264
  547    HB2  ASN  75           HB2      ASN  75  -0.533  -5.282  -1.099
  548    HB3  ASN  75           HB1      ASN  75   0.971  -5.618  -0.251
  549   HD21  ASN  75          HD21      ASN  75   0.418  -4.193  -2.711
  550   HD22  ASN  75          HD22      ASN  75   1.381  -4.944  -3.936
  551    H    HIS  76           HN       HIS  76   0.122  -9.468  -2.027
  552    HA   HIS  76           HA       HIS  76  -1.200  -8.867  -4.316
  553    HB2  HIS  76           HB2      HIS  76   0.420 -10.647  -4.117
  554    HB3  HIS  76           HB1      HIS  76  -0.652 -11.560  -3.068
  555    HD1  HIS  76           HD1      HIS  76  -0.257 -10.492  -6.665
  556    HD2  HIS  76           HD2      HIS  76  -2.475 -13.164  -4.377
  557    HE1  HIS  76           HE1      HIS  76  -1.400 -12.009  -8.314
  558    HE2  HIS  76           HE2      HIS  76  -2.560 -13.745  -6.900
  559    H    ASN  77           HN       ASN  77  -2.518 -10.311  -1.394
  560    HA   ASN  77           HA       ASN  77  -5.184 -10.310  -2.664
  561    HB2  ASN  77           HB2      ASN  77  -5.842 -12.109  -1.163
  562    HB3  ASN  77           HB1      ASN  77  -4.411 -12.581  -2.071
  563   HD21  ASN  77          HD21      ASN  77  -5.500 -13.513   0.493
  564   HD22  ASN  77          HD22      ASN  77  -4.204 -13.341   1.631
  565    H    VAL  78           HN       VAL  78  -3.817  -8.115  -1.351
  566    HA   VAL  78           HA       VAL  78  -4.872  -7.798   1.288
  567    HB   VAL  78           HB       VAL  78  -2.773  -6.709   0.322
  568   HG11  VAL  78          HG11      VAL  78  -3.086  -4.526  -0.745
  569   HG12  VAL  78          HG12      VAL  78  -4.828  -4.794  -0.769
  570   HG13  VAL  78          HG13      VAL  78  -3.763  -5.832  -1.717
  571   HG21  VAL  78          HG21      VAL  78  -4.753  -4.975   1.794
  572   HG22  VAL  78          HG22      VAL  78  -3.008  -4.718   1.722
  573   HG23  VAL  78          HG23      VAL  78  -3.657  -6.151   2.521
  574    H    SER  79           HN       SER  79  -6.316  -6.067   1.925
  575    HA   SER  79           HA       SER  79  -8.240  -5.314  -0.153
  576    HB2  SER  79           HB2      SER  79  -8.756  -5.955   2.748
  577    HB3  SER  79           HB1      SER  79  -9.952  -5.277   1.656
  578    HG   SER  79           HG       SER  79  -8.832  -7.846   1.708
  579    H    LEU  80           HN       LEU  80  -8.526  -3.195  -0.408
  580    HA   LEU  80           HA       LEU  80  -7.305  -1.423   1.569
  581    HB2  LEU  80           HB2      LEU  80  -7.932  -1.118  -1.331
  582    HB3  LEU  80           HB1      LEU  80  -7.790   0.308  -0.322
  583    HG   LEU  80           HG       LEU  80  -5.661   0.071  -1.270
  584   HD11  LEU  80          HD11      LEU  80  -4.199  -0.384   0.530
  585   HD12  LEU  80          HD12      LEU  80  -5.418  -1.365   1.346
  586   HD13  LEU  80          HD13      LEU  80  -5.659   0.377   1.171
  587   HD21  LEU  80          HD21      LEU  80  -6.131  -2.252  -2.128
  588   HD22  LEU  80          HD22      LEU  80  -5.607  -2.852  -0.552
  589   HD23  LEU  80          HD23      LEU  80  -4.485  -1.963  -1.579
  590    H    VAL  81           HN       VAL  81  -9.173  -1.991   2.895
  591    HA   VAL  81           HA       VAL  81 -11.617  -0.564   2.252
  592    HB   VAL  81           HB       VAL  81 -10.827  -1.916   4.842
  593   HG11  VAL  81          HG11      VAL  81 -12.576  -0.254   5.131
  594   HG12  VAL  81          HG12      VAL  81 -13.229  -1.880   5.332
  595   HG13  VAL  81          HG13      VAL  81 -13.514  -0.994   3.833
  596   HG21  VAL  81          HG21      VAL  81 -10.887  -3.496   2.956
  597   HG22  VAL  81          HG22      VAL  81 -12.539  -2.983   2.596
  598   HG23  VAL  81          HG23      VAL  81 -12.179  -3.799   4.120
  599    H    LEU  82           HN       LEU  82 -11.447   1.558   2.331
  600    HA   LEU  82           HA       LEU  82  -9.565   3.087   3.687
  601    HB2  LEU  82           HB2      LEU  82 -11.317   3.728   1.856
  602    HB3  LEU  82           HB1      LEU  82 -12.338   4.124   3.227
  603    HG   LEU  82           HG       LEU  82 -10.471   5.645   4.019
  604   HD11  LEU  82          HD11      LEU  82  -8.684   4.660   2.681
  605   HD12  LEU  82          HD12      LEU  82  -8.867   6.381   2.345
  606   HD13  LEU  82          HD13      LEU  82  -9.495   5.188   1.207
  607   HD21  LEU  82          HD21      LEU  82 -12.499   6.501   2.993
  608   HD22  LEU  82          HD22      LEU  82 -11.813   6.248   1.389
  609   HD23  LEU  82          HD23      LEU  82 -11.099   7.440   2.476
  610    H    GLU  83           HN       GLU  83  -9.271   2.588   5.804
  611    HA   GLU  83           HA       GLU  83 -11.009   3.423   7.848
  612    HB2  GLU  83           HB2      GLU  83 -12.193   1.367   6.714
  613    HB3  GLU  83           HB1      GLU  83 -10.985   0.427   7.577
  614    HG2  GLU  83           HG2      GLU  83 -12.999   0.464   8.865
  615    HG3  GLU  83           HG1      GLU  83 -11.793   1.444   9.698
  616    H    ALA  84           HN       ALA  84 -10.175   0.667   9.125
  617    HA   ALA  84           HA       ALA  84  -7.370   1.375   9.646
  618    HB1  ALA  84           HB1      ALA  84  -8.901   1.583  11.586
  619    HB2  ALA  84           HB2      ALA  84  -7.633   0.386  11.830
  620    HB3  ALA  84           HB3      ALA  84  -9.270  -0.135  11.436
  621    H    THR  85           HN       THR  85  -6.874  -1.165  10.978
  622    HA   THR  85           HA       THR  85  -6.296  -2.794   8.729
  623    HB   THR  85           HB       THR  85  -5.757  -4.502  10.627
  624    HG1  THR  85           HG1      THR  85  -5.641  -3.647  12.651
  625   HG21  THR  85          HG21      THR  85  -4.053  -3.354   9.346
  626   HG22  THR  85          HG22      THR  85  -3.612  -3.343  11.054
  627   HG23  THR  85          HG23      THR  85  -4.277  -1.891  10.304
  628    H    GLN  86           HN       GLN  86  -8.765  -2.663   8.171
  629    HA   GLN  86           HA       GLN  86 -10.299  -4.808   9.375
  630    HB2  GLN  86           HB2      GLN  86 -10.836  -3.071   6.953
  631    HB3  GLN  86           HB1      GLN  86 -11.955  -4.267   7.588
  632    HG2  GLN  86           HG2      GLN  86 -10.949  -1.903   9.151
  633    HG3  GLN  86           HG1      GLN  86 -12.457  -1.924   8.241
  634   HE21  GLN  86          HE21      GLN  86 -13.675  -1.565  10.082
  635   HE22  GLN  86          HE22      GLN  86 -13.931  -2.784  11.278
  636    HA   PRO  87           HA       PRO  87  -8.163  -8.241   8.022
  637    HB2  PRO  87           HB2      PRO  87 -10.715  -8.821   6.565
  638    HB3  PRO  87           HB1      PRO  87  -9.689  -9.915   7.499
  639    HG2  PRO  87           HG2      PRO  87 -11.912  -8.591   8.502
  640    HG3  PRO  87           HG1      PRO  87 -10.598  -9.261   9.484
  641    HD2  PRO  87           HD2      PRO  87 -11.303  -6.523   9.208
  642    HD3  PRO  87           HD1      PRO  87  -9.856  -7.175  10.006
  643    HA   PRO  88           HA       PRO  88  -7.158  -6.963   3.757
  644    HB2  PRO  88           HB2      PRO  88  -4.752  -5.775   4.364
  645    HB3  PRO  88           HB1      PRO  88  -6.289  -4.915   4.264
  646    HG2  PRO  88           HG2      PRO  88  -4.680  -5.407   6.593
  647    HG3  PRO  88           HG1      PRO  88  -6.196  -4.503   6.481
  648    HD2  PRO  88           HD2      PRO  88  -5.710  -7.262   7.352
  649    HD3  PRO  88           HD1      PRO  88  -7.072  -6.179   7.708
  650    H    SER  89           HN       SER  89  -5.735  -8.047   2.399
  651    HA   SER  89           HA       SER  89  -4.390  -9.740   1.688
  652    HB2  SER  89           HB2      SER  89  -3.017  -9.298   4.355
  653    HB3  SER  89           HB1      SER  89  -2.386 -10.311   3.057
  654    HG   SER  89           HG       SER  89  -1.689  -8.598   2.092
  655    H    GLU  90           HN       GLU  90  -6.813 -10.149   3.156
  656    HA   GLU  90           HA       GLU  90  -8.105 -11.723   4.157
  657    HB2  GLU  90           HB2      GLU  90  -6.801 -13.009   2.235
  658    HB3  GLU  90           HB1      GLU  90  -6.116 -13.872   3.604
  659    HG2  GLU  90           HG2      GLU  90  -7.991 -15.099   2.807
  660    HG3  GLU  90           HG1      GLU  90  -8.419 -14.388   4.363
  661    H    GLN  91           HN       GLN  91  -5.662 -10.526   5.620
  662    HA   GLN  91           HA       GLN  91  -5.356 -12.518   7.747
  663    HB2  GLN  91           HB2      GLN  91  -3.929  -9.891   7.278
  664    HB3  GLN  91           HB1      GLN  91  -3.606 -10.984   8.617
  665    HG2  GLN  91           HG2      GLN  91  -2.901 -12.709   7.041
  666    HG3  GLN  91           HG1      GLN  91  -3.231 -11.615   5.698
  667   HE21  GLN  91          HE21      GLN  91  -1.870  -9.858   5.356
  668   HE22  GLN  91          HE22      GLN  91  -0.292  -9.772   6.047
  669    HA   PRO  92           HA       PRO  92  -8.275 -10.435  10.324
  670    HB2  PRO  92           HB2      PRO  92  -7.295 -11.115  12.775
  671    HB3  PRO  92           HB1      PRO  92  -8.188 -12.235  11.740
  672    HG2  PRO  92           HG2      PRO  92  -5.234 -11.958  12.135
  673    HG3  PRO  92           HG1      PRO  92  -6.215 -13.432  12.025
  674    HD2  PRO  92           HD2      PRO  92  -4.763 -12.503   9.948
  675    HD3  PRO  92           HD1      PRO  92  -6.310 -13.344   9.721
  676    H    GLY  93           HN       GLY  93  -8.504  -8.684  11.801
  677    HA2  GLY  93           HA2      GLY  93  -6.243  -7.240  12.797
  678    HA3  GLY  93           HA1      GLY  93  -6.910  -6.490  11.354
  679    H    THR  94           HN       THR  94  -6.856  -5.191  13.814
  680    HA   THR  94           HA       THR  94  -9.658  -4.585  14.150
  681    HB   THR  94           HB       THR  94  -8.147  -5.511  16.603
  682    HG1  THR  94           HG1      THR  94  -9.486  -6.959  14.726
  683   HG21  THR  94          HG21      THR  94  -9.869  -3.826  17.026
  684   HG22  THR  94          HG22      THR  94 -10.356  -5.395  17.673
  685   HG23  THR  94          HG23      THR  94 -11.053  -4.807  16.161
  686    H    ASP  95           HN       ASP  95  -9.449  -2.439  13.837
  687    HA   ASP  95           HA       ASP  95  -8.322  -0.891  15.964
  688    HB2  ASP  95           HB2      ASP  95  -6.422  -1.430  14.166
  689    HB3  ASP  95           HB1      ASP  95  -7.200  -0.110  13.301
  690    H    GLY  96           HN       GLY  96  -8.322   1.616  14.732
  691    HA2  GLY  96           HA2      GLY  96 -10.661   1.909  13.078
  692    HA3  GLY  96           HA1      GLY  96 -10.940   2.397  14.743
  693    H    GLN  97           HN       GLN  97  -9.972   3.433  11.737
  694    HA   GLN  97           HA       GLN  97  -8.337   5.623  12.758
  695    HB2  GLN  97           HB2      GLN  97  -7.505   4.535  10.752
  696    HB3  GLN  97           HB1      GLN  97  -9.037   4.805   9.931
  697    HG2  GLN  97           HG2      GLN  97  -7.294   6.366   9.208
  698    HG3  GLN  97           HG1      GLN  97  -8.671   7.188   9.939
  699   HE21  GLN  97          HE21      GLN  97  -7.505   9.009  10.468
  700   HE22  GLN  97          HE22      GLN  97  -6.323   9.032  11.733
  Start of MODEL   14
    1    H    ASP   1           HN       ASP   1  20.381  13.602   0.169
    2    HA   ASP   1           HA       ASP   1  21.045  10.955  -0.810
    3    HB2  ASP   1           HB2      ASP   1  21.918  10.582   1.507
    4    HB3  ASP   1           HB1      ASP   1  22.664  11.932   0.668
    5    HA   PRO   2           HA       PRO   2  16.991   9.601   0.346
    6    HB2  PRO   2           HB2      PRO   2  17.084   7.188  -0.808
    7    HB3  PRO   2           HB1      PRO   2  17.016   8.672  -1.766
    8    HG2  PRO   2           HG2      PRO   2  19.362   6.926  -1.143
    9    HG3  PRO   2           HG1      PRO   2  18.946   7.747  -2.659
   10    HD2  PRO   2           HD2      PRO   2  20.785   8.673  -0.815
   11    HD3  PRO   2           HD1      PRO   2  19.955   9.683  -2.012
   12    H    VAL   3           HN       VAL   3  15.962   7.925   1.577
   13    HA   VAL   3           HA       VAL   3  17.535   7.116   3.849
   14    HB   VAL   3           HB       VAL   3  14.656   6.381   3.330
   15   HG11  VAL   3          HG11      VAL   3  15.678   5.286   5.237
   16   HG12  VAL   3          HG12      VAL   3  14.480   6.462   5.778
   17   HG13  VAL   3          HG13      VAL   3  16.201   6.842   5.879
   18   HG21  VAL   3          HG21      VAL   3  14.862   8.773   2.942
   19   HG22  VAL   3          HG22      VAL   3  15.693   8.969   4.484
   20   HG23  VAL   3          HG23      VAL   3  14.003   8.465   4.450
   21    H    LYS   4           HN       LYS   4  18.683   5.820   1.894
   22    HA   LYS   4           HA       LYS   4  19.348   3.836   1.038
   23    HB2  LYS   4           HB2      LYS   4  17.930   2.702   3.450
   24    HB3  LYS   4           HB1      LYS   4  19.118   1.859   2.466
   25    HG2  LYS   4           HG2      LYS   4  20.796   3.562   3.100
   26    HG3  LYS   4           HG1      LYS   4  19.599   4.297   4.168
   27    HD2  LYS   4           HD2      LYS   4  19.434   2.175   5.407
   28    HD3  LYS   4           HD1      LYS   4  20.672   1.482   4.358
   29    HE2  LYS   4           HE2      LYS   4  21.739   2.168   6.377
   30    HE3  LYS   4           HE1      LYS   4  22.214   3.299   5.112
   31    HZ1  LYS   4           HZ1      LYS   4  20.454   4.812   5.942
   32    HZ2  LYS   4           HZ2      LYS   4  21.687   4.524   7.068
   33    HZ3  LYS   4           HZ3      LYS   4  20.189   3.748   7.237
   34    HA   PRO   5           HA       PRO   5  15.511   3.109  -1.258
   35    HB2  PRO   5           HB2      PRO   5  16.745   2.443  -3.590
   36    HB3  PRO   5           HB1      PRO   5  16.486   4.113  -3.073
   37    HG2  PRO   5           HG2      PRO   5  18.948   2.428  -2.875
   38    HG3  PRO   5           HG1      PRO   5  18.792   4.134  -3.329
   39    HD2  PRO   5           HD2      PRO   5  19.579   3.338  -0.861
   40    HD3  PRO   5           HD1      PRO   5  18.665   4.834  -1.137
   41    H    SER   6           HN       SER   6  15.336   1.268   0.246
   42    HA   SER   6           HA       SER   6  14.814  -1.143  -0.870
   43    HB2  SER   6           HB2      SER   6  16.720  -2.594  -0.188
   44    HB3  SER   6           HB1      SER   6  17.185  -1.426  -1.424
   45    HG   SER   6           HG       SER   6  18.513  -0.513  -0.065
   46    H    ARG   7           HN       ARG   7  15.874   0.713   1.779
   47    HA   ARG   7           HA       ARG   7  15.810   0.518   4.053
   48    HB2  ARG   7           HB2      ARG   7  13.058  -0.255   3.134
   49    HB3  ARG   7           HB1      ARG   7  13.443  -0.084   4.841
   50    HG2  ARG   7           HG2      ARG   7  14.018   2.116   2.890
   51    HG3  ARG   7           HG1      ARG   7  12.423   1.922   3.620
   52    HD2  ARG   7           HD2      ARG   7  13.877   3.535   4.828
   53    HD3  ARG   7           HD1      ARG   7  13.339   2.187   5.828
   54    HE   ARG   7           HE       ARG   7  15.864   1.624   4.682
   55   HH11  ARG   7          HH11      ARG   7  14.388   3.606   7.156
   56   HH12  ARG   7          HH12      ARG   7  15.796   3.606   8.176
   57   HH21  ARG   7          HH21      ARG   7  17.710   1.602   6.011
   58   HH22  ARG   7          HH22      ARG   7  17.697   2.488   7.511
   59    H    GLY   8           HN       GLY   8  16.844  -1.928   2.769
   60    HA2  GLY   8           HA2      GLY   8  17.775  -3.673   4.179
   61    HA3  GLY   8           HA1      GLY   8  16.219  -3.771   4.986
   62    HA   PRO   9           HA       PRO   9  15.443  -7.148   2.290
   63    HB2  PRO   9           HB2      PRO   9  12.688  -7.241   2.992
   64    HB3  PRO   9           HB1      PRO   9  14.011  -8.158   3.708
   65    HG2  PRO   9           HG2      PRO   9  12.531  -6.199   5.002
   66    HG3  PRO   9           HG1      PRO   9  14.123  -6.784   5.514
   67    HD2  PRO   9           HD2      PRO   9  13.404  -4.316   3.993
   68    HD3  PRO   9           HD1      PRO   9  14.663  -4.560   5.223
   69    H    LEU  10           HN       LEU  10  15.285  -6.982   0.126
   70    HA   LEU  10           HA       LEU  10  13.420  -5.207  -1.138
   71    HB2  LEU  10           HB2      LEU  10  15.197  -7.369  -2.258
   72    HB3  LEU  10           HB1      LEU  10  14.156  -6.356  -3.240
   73    HG   LEU  10           HG       LEU  10  16.421  -5.345  -1.518
   74   HD11  LEU  10          HD11      LEU  10  16.236  -5.651  -4.513
   75   HD12  LEU  10          HD12      LEU  10  17.206  -6.657  -3.438
   76   HD13  LEU  10          HD13      LEU  10  17.582  -4.943  -3.620
   77   HD21  LEU  10          HD21      LEU  10  14.582  -3.741  -1.801
   78   HD22  LEU  10          HD22      LEU  10  14.702  -3.928  -3.551
   79   HD23  LEU  10          HD23      LEU  10  16.042  -3.228  -2.645
   80    H    VAL  11           HN       VAL  11  11.384  -5.718  -0.674
   81    HA   VAL  11           HA       VAL  11  10.428  -8.444  -1.055
   82    HB   VAL  11           HB       VAL  11   9.089  -6.025   0.178
   83   HG11  VAL  11          HG11      VAL  11   8.105  -8.866   0.001
   84   HG12  VAL  11          HG12      VAL  11   7.456  -7.491  -0.892
   85   HG13  VAL  11          HG13      VAL  11   7.319  -7.545   0.865
   86   HG21  VAL  11          HG21      VAL  11  10.878  -6.903   1.555
   87   HG22  VAL  11          HG22      VAL  11  10.216  -8.532   1.415
   88   HG23  VAL  11          HG23      VAL  11   9.314  -7.286   2.276
   89    H    THR  12           HN       THR  12   9.615  -8.960  -2.983
   90    HA   THR  12           HA       THR  12   8.507  -6.965  -4.756
   91    HB   THR  12           HB       THR  12   8.573  -9.982  -4.942
   92    HG1  THR  12           HG1      THR  12  10.193  -9.631  -6.444
   93   HG21  THR  12          HG21      THR  12   7.793  -9.723  -7.238
   94   HG22  THR  12          HG22      THR  12   7.668  -7.978  -7.007
   95   HG23  THR  12          HG23      THR  12   6.612  -9.065  -6.100
   96    H    CYS  13           HN       CYS  13   6.383  -6.523  -5.061
   97    HA   CYS  13           HA       CYS  13   4.399  -8.404  -4.096
   98    HB2  CYS  13           HB2      CYS  13   5.086  -6.134  -2.571
   99    HB3  CYS  13           HB1      CYS  13   3.529  -5.781  -3.316
  100    H    THR  14           HN       THR  14   2.321  -8.081  -4.995
  101    HA   THR  14           HA       THR  14   2.016  -7.262  -7.581
  102    HB   THR  14           HB       THR  14  -0.054  -7.055  -5.380
  103    HG1  THR  14           HG1      THR  14   0.854  -9.199  -7.015
  104   HG21  THR  14          HG21      THR  14  -0.443  -7.386  -8.359
  105   HG22  THR  14          HG22      THR  14  -0.724  -5.892  -7.458
  106   HG23  THR  14          HG23      THR  14  -1.712  -7.321  -7.135
  107    H    CYS  15           HN       CYS  15   2.093  -5.357  -8.563
  108    HA   CYS  15           HA       CYS  15   1.764  -2.929  -6.943
  109    HB2  CYS  15           HB2      CYS  15   3.954  -2.694  -7.530
  110    HB3  CYS  15           HB1      CYS  15   3.787  -3.664  -8.989
  111    H    GLU  16           HN       GLU  16   0.518  -1.294  -7.763
  112    HA   GLU  16           HA       GLU  16  -0.454  -1.352 -10.448
  113    HB2  GLU  16           HB2      GLU  16  -1.938  -3.029  -9.188
  114    HB3  GLU  16           HB1      GLU  16  -2.554  -1.637  -8.296
  115    HG2  GLU  16           HG2      GLU  16  -3.106  -0.605 -10.544
  116    HG3  GLU  16           HG1      GLU  16  -2.794  -2.195 -11.235
  117    H    SER  17           HN       SER  17   0.518   0.683 -10.425
  118    HA   SER  17           HA       SER  17   0.467   2.951 -10.434
  119    HB2  SER  17           HB2      SER  17  -2.224   2.076 -10.370
  120    HB3  SER  17           HB1      SER  17  -2.064   3.511  -9.355
  121    HG   SER  17           HG       SER  17  -1.079   3.325 -12.020
  122    HA   PRO  18           HA       PRO  18   0.044   3.676  -5.792
  123    HB2  PRO  18           HB2      PRO  18   1.553   1.880  -4.422
  124    HB3  PRO  18           HB1      PRO  18  -0.110   1.558  -4.923
  125    HG2  PRO  18           HG2      PRO  18   2.341   0.339  -5.874
  126    HG3  PRO  18           HG1      PRO  18   0.667  -0.107  -6.239
  127    HD2  PRO  18           HD2      PRO  18   2.552   1.536  -7.795
  128    HD3  PRO  18           HD1      PRO  18   1.083   0.690  -8.332
  129    H    HIS  19           HN       HIS  19   3.087   2.080  -5.694
  130    HA   HIS  19           HA       HIS  19   4.574   4.600  -5.509
  131    HB2  HIS  19           HB2      HIS  19   5.990   2.521  -4.183
  132    HB3  HIS  19           HB1      HIS  19   5.264   3.950  -3.452
  133    HD1  HIS  19           HD1      HIS  19   4.538   0.324  -4.160
  134    HD2  HIS  19           HD2      HIS  19   2.965   3.475  -2.015
  135    HE1  HIS  19           HE1      HIS  19   2.622  -0.651  -2.839
  136    HE2  HIS  19           HE2      HIS  19   1.894   1.233  -1.343
  137    H    CYS  20           HN       CYS  20   3.799   2.730  -7.689
  138    HA   CYS  20           HA       CYS  20   6.382   2.169  -8.815
  139    HB2  CYS  20           HB2      CYS  20   6.384   0.095  -7.758
  140    HB3  CYS  20           HB1      CYS  20   4.646   0.134  -7.545
  141    H    LYS  21           HN       LYS  21   6.075   2.767 -10.892
  142    HA   LYS  21           HA       LYS  21   3.380   2.530 -12.003
  143    HB2  LYS  21           HB2      LYS  21   5.863   3.906 -13.044
  144    HB3  LYS  21           HB1      LYS  21   4.347   3.810 -13.935
  145    HG2  LYS  21           HG2      LYS  21   4.885   5.240 -11.349
  146    HG3  LYS  21           HG1      LYS  21   4.379   5.929 -12.895
  147    HD2  LYS  21           HD2      LYS  21   2.230   4.763 -12.705
  148    HD3  LYS  21           HD1      LYS  21   2.737   4.075 -11.163
  149    HE2  LYS  21           HE2      LYS  21   1.362   5.917 -10.635
  150    HE3  LYS  21           HE1      LYS  21   3.016   6.452 -10.347
  151    HZ1  LYS  21           HZ1      LYS  21   3.003   7.571 -12.480
  152    HZ2  LYS  21           HZ2      LYS  21   1.707   8.112 -11.526
  153    HZ3  LYS  21           HZ3      LYS  21   1.427   7.021 -12.788
  154    H    GLY  22           HN       GLY  22   4.513   0.162 -11.397
  155    HA2  GLY  22           HA2      GLY  22   4.826  -1.070 -13.992
  156    HA3  GLY  22           HA1      GLY  22   6.352  -1.006 -13.123
  157    HA   PRO  23           HA       PRO  23   2.176  -3.250 -11.009
  158    HB2  PRO  23           HB2      PRO  23   2.628  -5.134 -13.292
  159    HB3  PRO  23           HB1      PRO  23   1.157  -4.859 -12.347
  160    HG2  PRO  23           HG2      PRO  23   1.612  -3.608 -14.679
  161    HG3  PRO  23           HG1      PRO  23   0.726  -2.852 -13.348
  162    HD2  PRO  23           HD2      PRO  23   3.304  -2.121 -14.452
  163    HD3  PRO  23           HD1      PRO  23   2.336  -1.269 -13.222
  164    H    THR  24           HN       THR  24   5.391  -4.356 -11.473
  165    HA   THR  24           HA       THR  24   4.967  -5.729  -8.974
  166    HB   THR  24           HB       THR  24   6.741  -7.500  -9.839
  167    HG1  THR  24           HG1      THR  24   6.246  -6.246 -12.058
  168   HG21  THR  24          HG21      THR  24   4.577  -8.110  -8.920
  169   HG22  THR  24          HG22      THR  24   4.910  -9.065 -10.366
  170   HG23  THR  24          HG23      THR  24   3.789  -7.703 -10.443
  171    H    CYS  25           HN       CYS  25   6.629  -5.372  -7.545
  172    HA   CYS  25           HA       CYS  25   9.145  -4.349  -8.537
  173    HB2  CYS  25           HB2      CYS  25   8.965  -2.166  -7.510
  174    HB3  CYS  25           HB1      CYS  25   7.616  -2.392  -8.622
  175    H    ARG  26           HN       ARG  26  10.743  -4.799  -7.213
  176    HA   ARG  26           HA       ARG  26  10.321  -5.607  -4.474
  177    HB2  ARG  26           HB2      ARG  26  12.870  -5.056  -6.015
  178    HB3  ARG  26           HB1      ARG  26  12.799  -5.744  -4.398
  179    HG2  ARG  26           HG2      ARG  26  11.680  -7.693  -5.218
  180    HG3  ARG  26           HG1      ARG  26  11.559  -6.993  -6.831
  181    HD2  ARG  26           HD2      ARG  26  13.981  -7.018  -7.038
  182    HD3  ARG  26           HD1      ARG  26  14.124  -7.672  -5.405
  183    HE   ARG  26           HE       ARG  26  12.695  -9.578  -6.392
  184   HH11  ARG  26          HH11      ARG  26  15.151  -7.795  -8.148
  185   HH12  ARG  26          HH12      ARG  26  15.541  -9.129  -9.187
  186   HH21  ARG  26          HH21      ARG  26  13.176 -11.300  -7.785
  187   HH22  ARG  26          HH22      ARG  26  14.417 -11.122  -8.990
  188    H    GLY  27           HN       GLY  27  10.930  -4.437  -2.647
  189    HA2  GLY  27           HA2      GLY  27  11.919  -1.725  -2.938
  190    HA3  GLY  27           HA1      GLY  27  10.249  -1.855  -2.406
  191    H    ALA  28           HN       ALA  28   9.908  -1.952  -0.334
  192    HA   ALA  28           HA       ALA  28  12.101  -2.853   1.432
  193    HB1  ALA  28           HB1      ALA  28  11.599  -0.436   1.632
  194    HB2  ALA  28           HB2      ALA  28  11.289  -1.324   3.124
  195    HB3  ALA  28           HB3      ALA  28   9.944  -0.844   2.087
  196    H    TRP  29           HN       TRP  29   8.673  -2.699   0.858
  197    HA   TRP  29           HA       TRP  29   8.129  -5.293   1.724
  198    HB2  TRP  29           HB2      TRP  29   6.638  -4.642   3.684
  199    HB3  TRP  29           HB1      TRP  29   8.368  -4.601   3.984
  200    HD1  TRP  29           HD1      TRP  29   6.629  -1.669   2.210
  201    HE1  TRP  29           HE1      TRP  29   6.729   0.390   3.753
  202    HE3  TRP  29           HE3      TRP  29   8.539  -3.884   6.401
  203    HZ2  TRP  29           HZ2      TRP  29   7.518   0.996   6.384
  204    HZ3  TRP  29           HZ3      TRP  29   8.940  -2.489   8.390
  205    HH2  TRP  29           HH2      TRP  29   8.440  -0.103   8.376
  206    H    CYS  30           HN       CYS  30   5.517  -5.284   2.215
  207    HA   CYS  30           HA       CYS  30   4.501  -4.193  -0.289
  208    HB2  CYS  30           HB2      CYS  30   3.204  -6.088   1.679
  209    HB3  CYS  30           HB1      CYS  30   2.578  -5.660   0.089
  210    H    THR  31           HN       THR  31   3.605  -2.263  -0.221
  211    HA   THR  31           HA       THR  31   2.043  -1.569   2.171
  212    HB   THR  31           HB       THR  31   2.427   0.835   1.411
  213    HG1  THR  31           HG1      THR  31   4.086  -0.587  -0.329
  214   HG21  THR  31          HG21      THR  31   4.588   0.968   2.537
  215   HG22  THR  31          HG22      THR  31   4.803  -0.771   2.346
  216   HG23  THR  31          HG23      THR  31   3.510  -0.151   3.373
  217    H    VAL  32           HN       VAL  32  -0.018  -1.261   1.945
  218    HA   VAL  32           HA       VAL  32  -1.109  -1.057  -0.781
  219    HB   VAL  32           HB       VAL  32  -3.030  -2.208  -0.082
  220   HG11  VAL  32          HG11      VAL  32  -0.701  -3.429   1.375
  221   HG12  VAL  32          HG12      VAL  32  -1.146  -3.690  -0.311
  222   HG13  VAL  32          HG13      VAL  32  -2.203  -4.265   0.979
  223   HG21  VAL  32          HG21      VAL  32  -3.429  -0.952   1.993
  224   HG22  VAL  32          HG22      VAL  32  -2.166  -1.890   2.787
  225   HG23  VAL  32          HG23      VAL  32  -3.632  -2.689   2.218
  226    H    VAL  33           HN       VAL  33  -3.063   0.330  -0.974
  227    HA   VAL  33           HA       VAL  33  -3.438   2.378   0.981
  228    HB   VAL  33           HB       VAL  33  -2.674   3.854  -1.336
  229   HG11  VAL  33          HG11      VAL  33  -1.564   3.824   1.443
  230   HG12  VAL  33          HG12      VAL  33  -2.938   4.771   0.874
  231   HG13  VAL  33          HG13      VAL  33  -1.321   5.099   0.249
  232   HG21  VAL  33          HG21      VAL  33  -1.071   2.109  -1.851
  233   HG22  VAL  33          HG22      VAL  33  -0.434   2.195  -0.209
  234   HG23  VAL  33          HG23      VAL  33  -0.245   3.567  -1.300
  235    H    LEU  34           HN       LEU  34  -5.604   2.625   0.800
  236    HA   LEU  34           HA       LEU  34  -6.868   2.531  -1.803
  237    HB2  LEU  34           HB2      LEU  34  -8.042   1.620   0.144
  238    HB3  LEU  34           HB1      LEU  34  -8.010   3.196   0.917
  239    HG   LEU  34           HG       LEU  34  -9.322   4.018  -1.136
  240   HD11  LEU  34          HD11      LEU  34  -9.813   1.057  -1.395
  241   HD12  LEU  34          HD12      LEU  34  -8.934   2.066  -2.544
  242   HD13  LEU  34          HD13      LEU  34 -10.658   2.331  -2.276
  243   HD21  LEU  34          HD21      LEU  34 -11.451   3.285  -0.159
  244   HD22  LEU  34          HD22      LEU  34 -10.308   3.852   1.058
  245   HD23  LEU  34          HD23      LEU  34 -10.575   2.122   0.836
  246    H    VAL  35           HN       VAL  35  -6.713   4.224  -3.101
  247    HA   VAL  35           HA       VAL  35  -6.544   6.929  -2.018
  248    HB   VAL  35           HB       VAL  35  -6.569   6.018  -4.909
  249   HG11  VAL  35          HG11      VAL  35  -7.245   8.337  -4.646
  250   HG12  VAL  35          HG12      VAL  35  -5.642   8.240  -5.375
  251   HG13  VAL  35          HG13      VAL  35  -5.811   8.661  -3.672
  252   HG21  VAL  35          HG21      VAL  35  -4.640   5.103  -3.734
  253   HG22  VAL  35          HG22      VAL  35  -4.231   6.709  -3.130
  254   HG23  VAL  35          HG23      VAL  35  -4.141   6.367  -4.858
  255    H    ARG  36           HN       ARG  36  -8.360   8.039  -1.634
  256    HA   ARG  36           HA       ARG  36 -10.872   6.800  -2.259
  257    HB2  ARG  36           HB2      ARG  36 -10.273   9.381  -0.808
  258    HB3  ARG  36           HB1      ARG  36 -11.871   8.673  -0.972
  259    HG2  ARG  36           HG2      ARG  36 -11.298   7.944   1.117
  260    HG3  ARG  36           HG1      ARG  36 -10.740   6.588   0.138
  261    HD2  ARG  36           HD2      ARG  36  -9.108   7.278   1.860
  262    HD3  ARG  36           HD1      ARG  36  -8.469   7.405   0.223
  263    HE   ARG  36           HE       ARG  36  -9.579   9.767   1.583
  264   HH11  ARG  36          HH11      ARG  36  -6.847   8.131   0.125
  265   HH12  ARG  36          HH12      ARG  36  -5.880   9.569   0.031
  266   HH21  ARG  36          HH21      ARG  36  -8.306  11.655   1.454
  267   HH22  ARG  36          HH22      ARG  36  -6.706  11.574   0.786
  268    H    GLU  37           HN       GLU  37 -12.685   8.525  -2.786
  269    HA   GLU  37           HA       GLU  37 -12.178   9.088  -5.531
  270    HB2  GLU  37           HB2      GLU  37 -14.511   9.948  -5.573
  271    HB3  GLU  37           HB1      GLU  37 -14.354   8.308  -4.966
  272    HG2  GLU  37           HG2      GLU  37 -14.427  10.585  -3.039
  273    HG3  GLU  37           HG1      GLU  37 -15.922  10.050  -3.798
  274    H    GLU  38           HN       GLU  38 -10.568  10.636  -5.619
  275    HA   GLU  38           HA       GLU  38 -11.431  13.335  -4.913
  276    HB2  GLU  38           HB2      GLU  38  -9.051  12.619  -4.511
  277    HB3  GLU  38           HB1      GLU  38  -8.856  12.471  -6.253
  278    HG2  GLU  38           HG2      GLU  38  -7.974  14.584  -5.343
  279    HG3  GLU  38           HG1      GLU  38  -9.237  14.822  -6.552
  280    H    GLY  39           HN       GLY  39 -13.233  13.270  -6.341
  281    HA2  GLY  39           HA2      GLY  39 -14.205  13.957  -8.339
  282    HA3  GLY  39           HA1      GLY  39 -12.614  13.951  -9.088
  283    H    ARG  40           HN       ARG  40 -11.913  11.300  -8.364
  284    HA   ARG  40           HA       ARG  40 -13.413   9.863 -10.385
  285    HB2  ARG  40           HB2      ARG  40 -10.950   9.965 -10.433
  286    HB3  ARG  40           HB1      ARG  40 -10.886   9.153  -8.880
  287    HG2  ARG  40           HG2      ARG  40 -12.178   7.274 -10.048
  288    HG3  ARG  40           HG1      ARG  40 -11.672   8.060 -11.544
  289    HD2  ARG  40           HD2      ARG  40  -9.844   7.133  -9.338
  290    HD3  ARG  40           HD1      ARG  40 -10.124   6.278 -10.855
  291    HE   ARG  40           HE       ARG  40  -9.034   8.101 -12.009
  292   HH11  ARG  40          HH11      ARG  40  -8.692   8.104  -8.531
  293   HH12  ARG  40          HH12      ARG  40  -7.241   9.063  -8.538
  294   HH21  ARG  40          HH21      ARG  40  -7.080   9.335 -12.024
  295   HH22  ARG  40          HH22      ARG  40  -6.327   9.731 -10.509
  296    H    HIS  41           HN       HIS  41 -11.929   7.792  -8.123
  297    HA   HIS  41           HA       HIS  41 -14.059   7.506  -6.256
  298    HB2  HIS  41           HB2      HIS  41 -15.021   5.457  -6.926
  299    HB3  HIS  41           HB1      HIS  41 -14.950   6.391  -8.412
  300    HD1  HIS  41           HD1      HIS  41 -13.781   3.260  -6.839
  301    HD2  HIS  41           HD2      HIS  41 -12.972   5.456 -10.282
  302    HE1  HIS  41           HE1      HIS  41 -12.502   1.713  -8.352
  303    HE2  HIS  41           HE2      HIS  41 -11.925   3.090 -10.384
  304    HA   PRO  42           HA       PRO  42 -10.841   5.531  -3.934
  305    HB2  PRO  42           HB2      PRO  42 -12.654   3.319  -3.185
  306    HB3  PRO  42           HB1      PRO  42 -11.811   4.484  -2.159
  307    HG2  PRO  42           HG2      PRO  42 -14.450   4.637  -2.554
  308    HG3  PRO  42           HG1      PRO  42 -13.448   6.093  -2.411
  309    HD2  PRO  42           HD2      PRO  42 -14.583   4.808  -4.866
  310    HD3  PRO  42           HD1      PRO  42 -14.440   6.531  -4.456
  311    H    GLN  43           HN       GLN  43  -9.198   4.508  -4.862
  312    HA   GLN  43           HA       GLN  43  -9.652   1.822  -5.988
  313    HB2  GLN  43           HB2      GLN  43  -7.367   3.455  -6.937
  314    HB3  GLN  43           HB1      GLN  43  -8.284   2.229  -7.797
  315    HG2  GLN  43           HG2      GLN  43  -9.329   3.844  -8.879
  316    HG3  GLN  43           HG1      GLN  43 -10.016   4.402  -7.349
  317   HE21  GLN  43          HE21      GLN  43  -9.081   6.131  -6.281
  318   HE22  GLN  43          HE22      GLN  43  -7.876   7.140  -7.007
  319    H    GLU  44           HN       GLU  44  -8.350   0.279  -5.050
  320    HA   GLU  44           HA       GLU  44  -6.343   1.233  -3.204
  321    HB2  GLU  44           HB2      GLU  44  -6.039  -1.030  -2.490
  322    HB3  GLU  44           HB1      GLU  44  -7.753  -0.665  -2.554
  323    HG2  GLU  44           HG2      GLU  44  -8.096  -2.031  -4.395
  324    HG3  GLU  44           HG1      GLU  44  -6.383  -2.046  -4.817
  325    H    HIS  45           HN       HIS  45  -4.305   1.482  -3.594
  326    HA   HIS  45           HA       HIS  45  -3.152   0.226  -6.000
  327    HB2  HIS  45           HB2      HIS  45  -2.481   2.877  -4.693
  328    HB3  HIS  45           HB1      HIS  45  -1.509   2.146  -5.953
  329    HD1  HIS  45           HD1      HIS  45  -2.738   4.906  -6.402
  330    HD2  HIS  45           HD2      HIS  45  -4.599   1.352  -7.510
  331    HE1  HIS  45           HE1      HIS  45  -4.374   5.523  -8.213
  332    HE2  HIS  45           HE2      HIS  45  -5.543   3.375  -8.805
  333    H    ARG  46           HN       ARG  46  -1.564  -1.211  -5.616
  334    HA   ARG  46           HA       ARG  46  -0.418  -1.271  -2.901
  335    HB2  ARG  46           HB2      ARG  46  -0.641  -3.799  -3.053
  336    HB3  ARG  46           HB1      ARG  46  -2.125  -2.889  -2.805
  337    HG2  ARG  46           HG2      ARG  46  -2.480  -3.052  -5.308
  338    HG3  ARG  46           HG1      ARG  46  -1.158  -4.223  -5.321
  339    HD2  ARG  46           HD2      ARG  46  -2.417  -5.533  -3.603
  340    HD3  ARG  46           HD1      ARG  46  -3.769  -4.426  -3.830
  341    HE   ARG  46           HE       ARG  46  -2.986  -5.504  -6.319
  342   HH11  ARG  46          HH11      ARG  46  -4.724  -6.246  -3.395
  343   HH12  ARG  46          HH12      ARG  46  -5.571  -7.611  -4.071
  344   HH21  ARG  46          HH21      ARG  46  -4.166  -7.281  -7.253
  345   HH22  ARG  46          HH22      ARG  46  -5.261  -8.183  -6.245
  346    H    GLY  47           HN       GLY  47   1.575  -2.551  -2.683
  347    HA2  GLY  47           HA2      GLY  47   3.176  -3.733  -4.494
  348    HA3  GLY  47           HA1      GLY  47   3.296  -2.050  -4.990
  349    H    CYS  48           HN       CYS  48   5.457  -1.768  -4.476
  350    HA   CYS  48           HA       CYS  48   6.371  -2.559  -1.825
  351    HB2  CYS  48           HB2      CYS  48   8.617  -2.164  -2.802
  352    HB3  CYS  48           HB1      CYS  48   7.693  -3.350  -3.702
  353    H    GLY  49           HN       GLY  49   6.568  -1.067  -0.260
  354    HA2  GLY  49           HA2      GLY  49   6.135   1.698  -0.658
  355    HA3  GLY  49           HA1      GLY  49   6.777   0.961   0.805
  356    H    ASN  50           HN       ASN  50   8.939  -0.268  -0.802
  357    HA   ASN  50           HA       ASN  50  11.023   0.061  -1.582
  358    HB2  ASN  50           HB2      ASN  50   9.602   1.741  -3.094
  359    HB3  ASN  50           HB1      ASN  50  10.600   2.922  -2.251
  360   HD21  ASN  50          HD21      ASN  50  10.559   0.279  -4.486
  361   HD22  ASN  50          HD22      ASN  50  12.172   0.465  -5.062
  362    H    LEU  51           HN       LEU  51  10.210   3.266  -0.226
  363    HA   LEU  51           HA       LEU  51  12.052   2.826   1.959
  364    HB2  LEU  51           HB2      LEU  51  13.152   5.126   1.337
  365    HB3  LEU  51           HB1      LEU  51  13.748   3.624   0.659
  366    HG   LEU  51           HG       LEU  51  12.360   4.087  -1.386
  367   HD11  LEU  51          HD11      LEU  51  12.080   6.813  -0.120
  368   HD12  LEU  51          HD12      LEU  51  10.775   5.661  -0.402
  369   HD13  LEU  51          HD13      LEU  51  11.624   6.382  -1.769
  370   HD21  LEU  51          HD21      LEU  51  14.474   6.114  -0.663
  371   HD22  LEU  51          HD22      LEU  51  13.937   5.712  -2.295
  372   HD23  LEU  51          HD23      LEU  51  14.761   4.500  -1.313
  373    H    HIS  52           HN       HIS  52   9.161   3.635   1.192
  374    HA   HIS  52           HA       HIS  52   8.968   6.109   2.741
  375    HB2  HIS  52           HB2      HIS  52   6.974   4.630   1.028
  376    HB3  HIS  52           HB1      HIS  52   6.503   5.957   2.082
  377    HD1  HIS  52           HD1      HIS  52   7.063   8.335   1.327
  378    HD2  HIS  52           HD2      HIS  52   8.523   5.381  -1.224
  379    HE1  HIS  52           HE1      HIS  52   7.834   9.539  -0.746
  380    HE2  HIS  52           HE2      HIS  52   8.847   7.757  -2.211
  381    H    ARG  53           HN       ARG  53   8.895   5.852   4.852
  382    HA   ARG  53           HA       ARG  53   7.893   3.461   6.103
  383    HB2  ARG  53           HB2      ARG  53   9.749   4.650   7.115
  384    HB3  ARG  53           HB1      ARG  53   8.789   6.116   7.244
  385    HG2  ARG  53           HG2      ARG  53   8.928   5.093   9.401
  386    HG3  ARG  53           HG1      ARG  53   7.277   4.931   8.809
  387    HD2  ARG  53           HD2      ARG  53   7.999   2.864   9.841
  388    HD3  ARG  53           HD1      ARG  53   7.769   2.629   8.108
  389    HE   ARG  53           HE       ARG  53  10.365   3.113   8.155
  390   HH11  ARG  53          HH11      ARG  53   8.463   1.150  10.339
  391   HH12  ARG  53          HH12      ARG  53   9.769   0.053  10.692
  392   HH21  ARG  53          HH21      ARG  53  12.072   1.681   8.593
  393   HH22  ARG  53          HH22      ARG  53  11.826   0.343   9.685
  394    H    GLU  54           HN       GLU  54   6.684   6.583   5.301
  395    HA   GLU  54           HA       GLU  54   4.593   6.935   7.082
  396    HB2  GLU  54           HB2      GLU  54   3.617   8.377   5.332
  397    HB3  GLU  54           HB1      GLU  54   5.339   8.662   5.542
  398    HG2  GLU  54           HG2      GLU  54   5.626   7.000   3.596
  399    HG3  GLU  54           HG1      GLU  54   3.917   7.300   3.288
  400    H    LEU  55           HN       LEU  55   4.748   4.959   4.194
  401    HA   LEU  55           HA       LEU  55   1.913   4.582   3.993
  402    HB2  LEU  55           HB2      LEU  55   4.190   3.219   2.570
  403    HB3  LEU  55           HB1      LEU  55   2.497   3.069   2.141
  404    HG   LEU  55           HG       LEU  55   4.075   5.642   2.066
  405   HD11  LEU  55          HD11      LEU  55   4.838   4.064   0.374
  406   HD12  LEU  55          HD12      LEU  55   3.964   5.410  -0.357
  407   HD13  LEU  55          HD13      LEU  55   3.177   3.843  -0.178
  408   HD21  LEU  55          HD21      LEU  55   1.294   4.985   1.103
  409   HD22  LEU  55          HD22      LEU  55   2.132   6.522   0.878
  410   HD23  LEU  55          HD23      LEU  55   1.700   5.982   2.501
  411    H    CYS  56           HN       CYS  56   3.501   3.548   6.416
  412    HA   CYS  56           HA       CYS  56   2.936   0.685   6.136
  413    HB2  CYS  56           HB2      CYS  56   5.221   1.315   6.773
  414    HB3  CYS  56           HB1      CYS  56   4.608   2.161   8.184
  415    H    ARG  57           HN       ARG  57   2.088   3.494   8.142
  416    HA   ARG  57           HA       ARG  57   0.285   1.724   9.645
  417    HB2  ARG  57           HB2      ARG  57   1.985   3.918  10.845
  418    HB3  ARG  57           HB1      ARG  57   0.816   2.937  11.715
  419    HG2  ARG  57           HG2      ARG  57   3.309   1.903  10.368
  420    HG3  ARG  57           HG1      ARG  57   3.113   2.181  12.100
  421    HD2  ARG  57           HD2      ARG  57   1.474   0.463  12.273
  422    HD3  ARG  57           HD1      ARG  57   1.329   0.339  10.521
  423    HE   ARG  57           HE       ARG  57   3.961  -0.241  11.124
  424   HH11  ARG  57          HH11      ARG  57   0.823  -1.578  11.947
  425   HH12  ARG  57          HH12      ARG  57   1.410  -3.214  12.004
  426   HH21  ARG  57          HH21      ARG  57   4.717  -2.388  11.198
  427   HH22  ARG  57          HH22      ARG  57   3.620  -3.682  11.572
  428    H    GLY  58           HN       GLY  58  -1.402   2.516   8.222
  429    HA2  GLY  58           HA2      GLY  58  -2.082   5.325   8.465
  430    HA3  GLY  58           HA1      GLY  58  -2.897   4.130   7.475
  431    H    ARG  59           HN       ARG  59  -4.422   5.866   8.747
  432    HA   ARG  59           HA       ARG  59  -5.864   4.287  10.680
  433    HB2  ARG  59           HB2      ARG  59  -4.652   6.965  11.361
  434    HB3  ARG  59           HB1      ARG  59  -6.060   6.335  12.204
  435    HG2  ARG  59           HG2      ARG  59  -4.819   4.452  13.009
  436    HG3  ARG  59           HG1      ARG  59  -3.424   4.892  12.022
  437    HD2  ARG  59           HD2      ARG  59  -3.104   5.521  14.354
  438    HD3  ARG  59           HD1      ARG  59  -3.139   6.935  13.303
  439    HE   ARG  59           HE       ARG  59  -5.639   6.194  14.616
  440   HH11  ARG  59          HH11      ARG  59  -2.811   8.239  14.529
  441   HH12  ARG  59          HH12      ARG  59  -3.488   9.460  15.570
  442   HH21  ARG  59          HH21      ARG  59  -6.542   7.777  16.011
  443   HH22  ARG  59          HH22      ARG  59  -5.634   9.215  16.386
  444    HA   PRO  60           HA       PRO  60  -9.292   6.200   8.560
  445    HB2  PRO  60           HB2      PRO  60 -10.658   6.296  11.188
  446    HB3  PRO  60           HB1      PRO  60 -11.163   5.513   9.688
  447    HG2  PRO  60           HG2      PRO  60 -10.286   4.078  11.758
  448    HG3  PRO  60           HG1      PRO  60  -9.880   3.625  10.091
  449    HD2  PRO  60           HD2      PRO  60  -8.202   5.018  12.140
  450    HD3  PRO  60           HD1      PRO  60  -7.743   3.757  10.977
  451    H    THR  61           HN       THR  61  -9.225   8.255   7.956
  452    HA   THR  61           HA       THR  61  -9.842  10.364   9.805
  453    HB   THR  61           HB       THR  61  -7.570  10.466  10.267
  454    HG1  THR  61           HG1      THR  61  -7.259  12.290   8.230
  455   HG21  THR  61          HG21      THR  61  -6.334   9.125   8.939
  456   HG22  THR  61          HG22      THR  61  -5.920  10.665   8.183
  457   HG23  THR  61          HG23      THR  61  -7.154   9.629   7.467
  458    H    GLU  62           HN       GLU  62  -8.071  11.156   6.857
  459    HA   GLU  62           HA       GLU  62 -10.426  11.739   5.352
  460    HB2  GLU  62           HB2      GLU  62  -7.751  10.995   4.155
  461    HB3  GLU  62           HB1      GLU  62  -9.016  11.965   3.424
  462    HG2  GLU  62           HG2      GLU  62  -7.537  13.589   3.988
  463    HG3  GLU  62           HG1      GLU  62  -8.510  13.551   5.459
  464    H    PHE  63           HN       PHE  63  -8.699   8.995   6.192
  465    HA   PHE  63           HA       PHE  63  -9.383   6.906   6.460
  466    HB2  PHE  63           HB2      PHE  63 -11.498   5.996   5.406
  467    HB3  PHE  63           HB1      PHE  63 -11.680   7.197   6.662
  468    HD1  PHE  63           HD2      PHE  63 -11.942   6.552   3.065
  469    HD2  PHE  63           HD1      PHE  63 -12.792   9.262   6.232
  470    HE1  PHE  63           HE2      PHE  63 -13.426   7.807   1.578
  471    HE2  PHE  63           HE1      PHE  63 -14.275  10.539   4.739
  472    HZ   PHE  63           HZ       PHE  63 -14.637   9.858   2.488
  473    H    VAL  64           HN       VAL  64  -7.570   7.860   4.775
  474    HA   VAL  64           HA       VAL  64  -7.399   6.051   2.538
  475    HB   VAL  64           HB       VAL  64  -6.159   8.265   2.772
  476   HG11  VAL  64          HG11      VAL  64  -4.426   6.692   4.668
  477   HG12  VAL  64          HG12      VAL  64  -5.492   8.028   5.101
  478   HG13  VAL  64          HG13      VAL  64  -4.098   8.317   4.062
  479   HG21  VAL  64          HG21      VAL  64  -4.227   6.008   2.321
  480   HG22  VAL  64          HG22      VAL  64  -4.286   7.582   1.534
  481   HG23  VAL  64          HG23      VAL  64  -5.524   6.376   1.184
  482    H    ASN  65           HN       ASN  65  -5.294   4.429   2.769
  483    HA   ASN  65           HA       ASN  65  -5.181   3.291   5.397
  484    HB2  ASN  65           HB2      ASN  65  -6.089   1.414   3.223
  485    HB3  ASN  65           HB1      ASN  65  -6.054   1.142   4.956
  486   HD21  ASN  65          HD21      ASN  65  -7.853   2.149   2.293
  487   HD22  ASN  65          HD22      ASN  65  -9.306   2.581   3.133
  488    H    HIS  66           HN       HIS  66  -2.963   3.952   4.937
  489    HA   HIS  66           HA       HIS  66  -1.633   2.302   2.953
  490    HB2  HIS  66           HB2      HIS  66   0.489   3.462   3.947
  491    HB3  HIS  66           HB1      HIS  66  -0.567   4.337   2.857
  492    HD1  HIS  66           HD1      HIS  66  -1.358   6.550   3.639
  493    HD2  HIS  66           HD2      HIS  66   0.084   4.191   6.746
  494    HE1  HIS  66           HE1      HIS  66  -1.336   8.039   5.669
  495    HE2  HIS  66           HE2      HIS  66  -0.197   6.674   7.451
  496    H    TYR  67           HN       TYR  67  -1.546   0.305   3.495
  497    HA   TYR  67           HA       TYR  67  -0.767  -0.439   6.247
  498    HB2  TYR  67           HB2      TYR  67  -2.833  -1.467   5.481
  499    HB3  TYR  67           HB1      TYR  67  -2.047  -2.055   4.020
  500    HD1  TYR  67           HD1      TYR  67  -2.097  -2.440   7.719
  501    HD2  TYR  67           HD2      TYR  67  -1.000  -4.146   3.981
  502    HE1  TYR  67           HE1      TYR  67  -1.580  -4.566   8.845
  503    HE2  TYR  67           HE2      TYR  67  -0.466  -6.270   5.091
  504    HH   TYR  67           HH       TYR  67   0.036  -7.166   7.210
  505    H    CYS  68           HN       CYS  68   0.754  -2.241   6.490
  506    HA   CYS  68           HA       CYS  68   2.683  -2.458   4.295
  507    HB2  CYS  68           HB2      CYS  68   4.532  -2.327   6.038
  508    HB3  CYS  68           HB1      CYS  68   3.731  -0.815   5.632
  509    H    CYS  69           HN       CYS  69   3.792  -4.353   4.182
  510    HA   CYS  69           HA       CYS  69   2.958  -6.479   6.048
  511    HB2  CYS  69           HB2      CYS  69   3.471  -6.542   3.085
  512    HB3  CYS  69           HB1      CYS  69   3.524  -8.007   4.052
  513    H    ASP  70           HN       ASP  70   4.669  -8.413   5.731
  514    HA   ASP  70           HA       ASP  70   7.353  -7.193   5.893
  515    HB2  ASP  70           HB2      ASP  70   6.536  -7.674   8.140
  516    HB3  ASP  70           HB1      ASP  70   6.157  -9.328   7.679
  517    H    SER  71           HN       SER  71   5.601  -9.126   3.985
  518    HA   SER  71           HA       SER  71   7.835 -10.906   3.419
  519    HB2  SER  71           HB2      SER  71   5.969 -12.737   3.090
  520    HB3  SER  71           HB1      SER  71   6.665 -12.445   4.683
  521    HG   SER  71           HG       SER  71   4.861 -11.433   5.320
  522    H    HIS  72           HN       HIS  72   7.846 -11.770   1.307
  523    HA   HIS  72           HA       HIS  72   7.025  -9.926  -0.643
  524    HB2  HIS  72           HB2      HIS  72   8.033 -11.372  -2.239
  525    HB3  HIS  72           HB1      HIS  72   8.996 -11.503  -0.775
  526    HD1  HIS  72           HD1      HIS  72   7.786 -13.552  -3.348
  527    HD2  HIS  72           HD2      HIS  72   7.919 -13.945   0.797
  528    HE1  HIS  72           HE1      HIS  72   7.584 -16.019  -2.887
  529    HE2  HIS  72           HE2      HIS  72   7.834 -16.245  -0.388
  530    H    LEU  73           HN       LEU  73   5.366  -9.868  -2.022
  531    HA   LEU  73           HA       LEU  73   3.377 -10.289  -3.028
  532    HB2  LEU  73           HB2      LEU  73   3.938 -13.180  -2.362
  533    HB3  LEU  73           HB1      LEU  73   2.769 -12.597  -3.530
  534    HG   LEU  73           HG       LEU  73   5.769 -12.462  -3.718
  535   HD11  LEU  73          HD11      LEU  73   4.755 -14.592  -4.321
  536   HD12  LEU  73          HD12      LEU  73   5.427 -13.779  -5.735
  537   HD13  LEU  73          HD13      LEU  73   3.687 -13.766  -5.455
  538   HD21  LEU  73          HD21      LEU  73   4.865 -10.348  -4.497
  539   HD22  LEU  73          HD22      LEU  73   3.722 -11.200  -5.537
  540   HD23  LEU  73          HD23      LEU  73   5.453 -11.311  -5.853
  541    H    CYS  74           HN       CYS  74   3.159  -9.357  -0.571
  542    HA   CYS  74           HA       CYS  74   1.307 -11.055   0.930
  543    HB2  CYS  74           HB2      CYS  74   3.043 -10.029   2.274
  544    HB3  CYS  74           HB1      CYS  74   2.637  -8.433   1.650
  545    H    ASN  75           HN       ASN  75   1.477  -7.878  -0.660
  546    HA   ASN  75           HA       ASN  75  -1.282  -7.370  -0.057
  547    HB2  ASN  75           HB2      ASN  75  -1.033  -5.304  -1.327
  548    HB3  ASN  75           HB1      ASN  75   0.308  -5.504  -0.221
  549   HD21  ASN  75          HD21      ASN  75  -0.252  -6.804  -3.492
  550   HD22  ASN  75          HD22      ASN  75   1.158  -6.070  -4.176
  551    H    HIS  76           HN       HIS  76   0.276  -9.310  -2.259
  552    HA   HIS  76           HA       HIS  76  -1.542  -9.325  -4.386
  553    HB2  HIS  76           HB2      HIS  76   0.627 -10.472  -4.447
  554    HB3  HIS  76           HB1      HIS  76   0.074 -11.599  -3.216
  555    HD1  HIS  76           HD1      HIS  76  -0.790 -10.615  -6.803
  556    HD2  HIS  76           HD2      HIS  76  -1.039 -13.856  -4.205
  557    HE1  HIS  76           HE1      HIS  76  -1.588 -12.548  -8.199
  558    HE2  HIS  76           HE2      HIS  76  -1.580 -14.528  -6.641
  559    H    ASN  77           HN       ASN  77  -1.936 -10.205  -1.147
  560    HA   ASN  77           HA       ASN  77  -4.568 -11.388  -1.725
  561    HB2  ASN  77           HB2      ASN  77  -4.247 -12.989   0.145
  562    HB3  ASN  77           HB1      ASN  77  -3.154 -13.286  -1.201
  563   HD21  ASN  77          HD21      ASN  77  -0.964 -12.985  -0.926
  564   HD22  ASN  77          HD22      ASN  77  -0.246 -12.726   0.631
  565    H    VAL  78           HN       VAL  78  -3.615  -8.741  -0.920
  566    HA   VAL  78           HA       VAL  78  -4.844  -8.512   1.739
  567    HB   VAL  78           HB       VAL  78  -2.612  -7.333   1.138
  568   HG11  VAL  78          HG11      VAL  78  -4.546  -5.491  -0.258
  569   HG12  VAL  78          HG12      VAL  78  -3.315  -6.489  -1.034
  570   HG13  VAL  78          HG13      VAL  78  -2.834  -5.170   0.033
  571   HG21  VAL  78          HG21      VAL  78  -4.892  -5.729   2.289
  572   HG22  VAL  78          HG22      VAL  78  -3.178  -5.360   2.478
  573   HG23  VAL  78          HG23      VAL  78  -3.842  -6.840   3.170
  574    H    SER  79           HN       SER  79  -6.294  -6.490   1.891
  575    HA   SER  79           HA       SER  79  -7.537  -5.656  -0.572
  576    HB2  SER  79           HB2      SER  79  -9.128  -7.052   1.591
  577    HB3  SER  79           HB1      SER  79  -9.822  -6.198   0.214
  578    HG   SER  79           HG       SER  79  -8.078  -7.837  -0.800
  579    H    LEU  80           HN       LEU  80  -7.979  -3.569  -0.437
  580    HA   LEU  80           HA       LEU  80  -7.773  -2.207   2.080
  581    HB2  LEU  80           HB2      LEU  80  -8.188  -1.327  -0.750
  582    HB3  LEU  80           HB1      LEU  80  -8.560  -0.218   0.558
  583    HG   LEU  80           HG       LEU  80  -6.332   0.261  -0.188
  584   HD11  LEU  80          HD11      LEU  80  -6.707   0.363   2.211
  585   HD12  LEU  80          HD12      LEU  80  -5.049  -0.102   1.833
  586   HD13  LEU  80          HD13      LEU  80  -6.209  -1.319   2.366
  587   HD21  LEU  80          HD21      LEU  80  -5.902  -1.925  -1.273
  588   HD22  LEU  80          HD22      LEU  80  -5.627  -2.626   0.323
  589   HD23  LEU  80          HD23      LEU  80  -4.562  -1.356  -0.281
  590    H    VAL  81           HN       VAL  81  -9.288  -2.846   3.320
  591    HA   VAL  81           HA       VAL  81 -11.795  -3.742   2.752
  592    HB   VAL  81           HB       VAL  81 -12.312  -3.670   5.074
  593   HG11  VAL  81          HG11      VAL  81 -10.332  -4.717   6.034
  594   HG12  VAL  81          HG12      VAL  81  -9.341  -4.069   4.727
  595   HG13  VAL  81          HG13      VAL  81 -10.590  -5.267   4.378
  596   HG21  VAL  81          HG21      VAL  81 -10.034  -1.716   5.377
  597   HG22  VAL  81          HG22      VAL  81 -11.006  -2.388   6.687
  598   HG23  VAL  81          HG23      VAL  81 -11.750  -1.329   5.485
  599    H    LEU  82           HN       LEU  82 -10.912  -0.467   2.713
  600    HA   LEU  82           HA       LEU  82 -13.625   0.456   3.233
  601    HB2  LEU  82           HB2      LEU  82 -11.021   1.824   2.742
  602    HB3  LEU  82           HB1      LEU  82 -12.507   2.700   2.427
  603    HG   LEU  82           HG       LEU  82 -13.193   2.170   4.804
  604   HD11  LEU  82          HD11      LEU  82 -11.677   0.330   5.228
  605   HD12  LEU  82          HD12      LEU  82 -11.401   1.639   6.377
  606   HD13  LEU  82          HD13      LEU  82 -10.291   1.404   5.026
  607   HD21  LEU  82          HD21      LEU  82 -12.414   4.364   4.139
  608   HD22  LEU  82          HD22      LEU  82 -10.739   3.855   4.359
  609   HD23  LEU  82          HD23      LEU  82 -11.820   3.957   5.749
  610    H    GLU  83           HN       GLU  83 -12.407  -1.140   0.850
  611    HA   GLU  83           HA       GLU  83 -13.988   0.286  -1.170
  612    HB2  GLU  83           HB2      GLU  83 -11.651   0.029  -1.844
  613    HB3  GLU  83           HB1      GLU  83 -11.726  -1.696  -1.536
  614    HG2  GLU  83           HG2      GLU  83 -11.816  -1.138  -3.922
  615    HG3  GLU  83           HG1      GLU  83 -13.243  -2.012  -3.369
  616    H    ALA  84           HN       ALA  84 -15.674  -0.703   0.230
  617    HA   ALA  84           HA       ALA  84 -16.892  -2.779   0.745
  618    HB1  ALA  84           HB1      ALA  84 -17.921  -1.383  -1.711
  619    HB2  ALA  84           HB2      ALA  84 -18.149  -0.852  -0.044
  620    HB3  ALA  84           HB3      ALA  84 -18.866  -2.367  -0.593
  621    H    THR  85           HN       THR  85 -16.798  -4.834   0.473
  622    HA   THR  85           HA       THR  85 -16.908  -6.893  -0.478
  623    HB   THR  85           HB       THR  85 -16.677  -5.596  -3.205
  624    HG1  THR  85           HG1      THR  85 -18.953  -6.298  -1.629
  625   HG21  THR  85          HG21      THR  85 -16.202  -8.003  -3.217
  626   HG22  THR  85          HG22      THR  85 -17.746  -7.665  -4.000
  627   HG23  THR  85          HG23      THR  85 -17.711  -8.312  -2.359
  628    H    GLN  86           HN       GLN  86 -14.477  -4.949  -0.104
  629    HA   GLN  86           HA       GLN  86 -12.643  -7.139  -0.727
  630    HB2  GLN  86           HB2      GLN  86 -12.069  -4.190  -1.051
  631    HB3  GLN  86           HB1      GLN  86 -10.849  -5.454  -1.130
  632    HG2  GLN  86           HG2      GLN  86 -11.990  -6.438  -3.054
  633    HG3  GLN  86           HG1      GLN  86 -13.218  -5.178  -2.969
  634   HE21  GLN  86          HE21      GLN  86  -9.838  -4.585  -2.367
  635   HE22  GLN  86          HE22      GLN  86  -9.547  -3.656  -3.789
  636    HA   PRO  87           HA       PRO  87 -11.967  -5.969   3.722
  637    HB2  PRO  87           HB2      PRO  87 -13.666  -8.106   4.649
  638    HB3  PRO  87           HB1      PRO  87 -13.745  -6.386   5.025
  639    HG2  PRO  87           HG2      PRO  87 -15.627  -7.704   3.542
  640    HG3  PRO  87           HG1      PRO  87 -15.287  -5.971   3.385
  641    HD2  PRO  87           HD2      PRO  87 -14.354  -8.251   1.679
  642    HD3  PRO  87           HD1      PRO  87 -14.922  -6.636   1.197
  643    HA   PRO  88           HA       PRO  88 -10.482 -10.508   3.976
  644    HB2  PRO  88           HB2      PRO  88 -11.012 -12.149   1.840
  645    HB3  PRO  88           HB1      PRO  88 -12.126 -11.887   3.183
  646    HG2  PRO  88           HG2      PRO  88 -12.464 -11.109   0.450
  647    HG3  PRO  88           HG1      PRO  88 -13.560 -10.788   1.802
  648    HD2  PRO  88           HD2      PRO  88 -11.483  -9.083   0.589
  649    HD3  PRO  88           HD1      PRO  88 -13.010  -8.641   1.379
  650    H    SER  89           HN       SER  89  -9.672 -12.136   1.486
  651    HA   SER  89           HA       SER  89  -7.376 -10.521   0.647
  652    HB2  SER  89           HB2      SER  89  -6.399 -12.736  -0.087
  653    HB3  SER  89           HB1      SER  89  -6.604 -12.561   1.654
  654    HG   SER  89           HG       SER  89  -8.626 -13.739   1.368
  655    H    GLU  90           HN       GLU  90  -7.584  -9.633  -1.297
  656    HA   GLU  90           HA       GLU  90  -8.296  -9.152  -3.392
  657    HB2  GLU  90           HB2      GLU  90  -8.752 -12.132  -3.427
  658    HB3  GLU  90           HB1      GLU  90  -9.040 -11.116  -4.831
  659    HG2  GLU  90           HG2      GLU  90  -6.413 -11.432  -3.400
  660    HG3  GLU  90           HG1      GLU  90  -6.861 -12.202  -4.923
  661    H    GLN  91           HN       GLN  91 -10.554 -10.006  -4.856
  662    HA   GLN  91           HA       GLN  91 -12.661  -9.110  -3.010
  663    HB2  GLN  91           HB2      GLN  91 -12.076  -7.543  -4.826
  664    HB3  GLN  91           HB1      GLN  91 -12.491  -8.776  -6.009
  665    HG2  GLN  91           HG2      GLN  91 -14.807  -8.768  -5.104
  666    HG3  GLN  91           HG1      GLN  91 -14.348  -7.408  -4.079
  667   HE21  GLN  91          HE21      GLN  91 -15.807  -6.016  -5.043
  668   HE22  GLN  91          HE22      GLN  91 -15.586  -5.400  -6.642
  669    HA   PRO  92           HA       PRO  92 -14.477 -13.048  -4.322
  670    HB2  PRO  92           HB2      PRO  92 -14.811 -14.027  -1.761
  671    HB3  PRO  92           HB1      PRO  92 -13.427 -14.365  -2.803
  672    HG2  PRO  92           HG2      PRO  92 -13.463 -12.851  -0.381
  673    HG3  PRO  92           HG1      PRO  92 -12.088 -13.141  -1.459
  674    HD2  PRO  92           HD2      PRO  92 -13.871 -10.778  -1.262
  675    HD3  PRO  92           HD1      PRO  92 -12.191 -10.884  -1.830
  676    H    GLY  93           HN       GLY  93 -15.396 -10.986  -1.681
  677    HA2  GLY  93           HA2      GLY  93 -17.946 -10.358  -2.452
  678    HA3  GLY  93           HA1      GLY  93 -18.113 -11.873  -1.575
  679    H    THR  94           HN       THR  94 -19.470 -10.422  -0.235
  680    HA   THR  94           HA       THR  94 -19.790  -9.686   1.931
  681    HB   THR  94           HB       THR  94 -16.773  -9.434   2.151
  682    HG1  THR  94           HG1      THR  94 -18.121 -11.624   1.878
  683   HG21  THR  94          HG21      THR  94 -17.167  -9.532   4.570
  684   HG22  THR  94          HG22      THR  94 -18.907  -9.558   4.283
  685   HG23  THR  94          HG23      THR  94 -17.962  -8.134   3.846
  686    H    ASP  95           HN       ASP  95 -19.384  -7.469   3.161
  687    HA   ASP  95           HA       ASP  95 -19.156  -5.429   1.064
  688    HB2  ASP  95           HB2      ASP  95 -20.592  -4.000   2.456
  689    HB3  ASP  95           HB1      ASP  95 -21.372  -5.521   2.053
  690    H    GLY  96           HN       GLY  96 -18.727  -5.379   4.639
  691    HA2  GLY  96           HA2      GLY  96 -16.849  -4.657   5.826
  692    HA3  GLY  96           HA1      GLY  96 -16.030  -4.350   4.300
  693    H    GLN  97           HN       GLN  97 -15.548  -2.261   4.037
  694    HA   GLN  97           HA       GLN  97 -17.260  -0.247   5.308
  695    HB2  GLN  97           HB2      GLN  97 -14.455  -0.051   4.202
  696    HB3  GLN  97           HB1      GLN  97 -15.357   1.328   4.821
  697    HG2  GLN  97           HG2      GLN  97 -14.571  -1.116   6.401
  698    HG3  GLN  97           HG1      GLN  97 -13.764   0.449   6.449
  699   HE21  GLN  97          HE21      GLN  97 -15.031  -1.048   8.590
  700   HE22  GLN  97          HE22      GLN  97 -16.243  -0.002   9.254
  Start of MODEL   15
    1    H    ASP   1           HN       ASP   1  15.549  11.376   6.721
    2    HA   ASP   1           HA       ASP   1  17.789   9.553   6.127
    3    HB2  ASP   1           HB2      ASP   1  16.373  10.144   8.713
    4    HB3  ASP   1           HB1      ASP   1  17.214   8.617   8.476
    5    HA   PRO   2           HA       PRO   2  14.376   6.957   4.755
    6    HB2  PRO   2           HB2      PRO   2  15.945   5.179   3.457
    7    HB3  PRO   2           HB1      PRO   2  15.510   6.745   2.761
    8    HG2  PRO   2           HG2      PRO   2  18.037   5.914   4.127
    9    HG3  PRO   2           HG1      PRO   2  17.822   6.898   2.668
   10    HD2  PRO   2           HD2      PRO   2  18.327   7.962   5.124
   11    HD3  PRO   2           HD1      PRO   2  17.407   8.811   3.867
   12    H    VAL   3           HN       VAL   3  14.141   4.469   4.899
   13    HA   VAL   3           HA       VAL   3  14.968   3.737   7.597
   14    HB   VAL   3           HB       VAL   3  13.342   1.872   7.366
   15   HG11  VAL   3          HG11      VAL   3  11.335   3.281   7.455
   16   HG12  VAL   3          HG12      VAL   3  12.258   4.626   6.785
   17   HG13  VAL   3          HG13      VAL   3  12.669   3.979   8.374
   18   HG21  VAL   3          HG21      VAL   3  11.782   1.867   5.484
   19   HG22  VAL   3          HG22      VAL   3  13.438   1.595   4.938
   20   HG23  VAL   3          HG23      VAL   3  12.686   3.176   4.724
   21    H    LYS   4           HN       LYS   4  16.037   1.849   8.131
   22    HA   LYS   4           HA       LYS   4  17.747   0.739   6.118
   23    HB2  LYS   4           HB2      LYS   4  17.403   0.246   9.041
   24    HB3  LYS   4           HB1      LYS   4  18.350  -0.868   8.061
   25    HG2  LYS   4           HG2      LYS   4  19.674   1.123   7.280
   26    HG3  LYS   4           HG1      LYS   4  18.856   2.056   8.542
   27    HD2  LYS   4           HD2      LYS   4  21.002   1.283   9.362
   28    HD3  LYS   4           HD1      LYS   4  19.704   0.459  10.230
   29    HE2  LYS   4           HE2      LYS   4  19.980  -1.498   8.796
   30    HE3  LYS   4           HE1      LYS   4  21.257  -0.676   7.902
   31    HZ1  LYS   4           HZ1      LYS   4  22.162  -2.200   9.541
   32    HZ2  LYS   4           HZ2      LYS   4  21.346  -1.382  10.787
   33    HZ3  LYS   4           HZ3      LYS   4  22.575  -0.598   9.926
   34    HA   PRO   5           HA       PRO   5  14.654  -3.024   6.452
   35    HB2  PRO   5           HB2      PRO   5  12.075  -2.048   6.693
   36    HB3  PRO   5           HB1      PRO   5  12.973  -2.855   7.983
   37    HG2  PRO   5           HG2      PRO   5  12.559   0.061   7.497
   38    HG3  PRO   5           HG1      PRO   5  12.571  -0.831   9.028
   39    HD2  PRO   5           HD2      PRO   5  14.671   0.640   8.243
   40    HD3  PRO   5           HD1      PRO   5  14.885  -0.891   9.119
   41    H    SER   6           HN       SER   6  15.747  -2.035   4.486
   42    HA   SER   6           HA       SER   6  14.125  -2.024   2.230
   43    HB2  SER   6           HB2      SER   6  13.443   0.231   3.096
   44    HB3  SER   6           HB1      SER   6  15.129   0.733   2.976
   45    HG   SER   6           HG       SER   6  14.218  -0.394   0.666
   46    H    ARG   7           HN       ARG   7  16.879  -0.229   3.414
   47    HA   ARG   7           HA       ARG   7  18.670  -1.148   1.397
   48    HB2  ARG   7           HB2      ARG   7  20.389   0.026   2.515
   49    HB3  ARG   7           HB1      ARG   7  18.933   0.983   2.725
   50    HG2  ARG   7           HG2      ARG   7  18.687   0.228   4.988
   51    HG3  ARG   7           HG1      ARG   7  20.017  -0.914   4.792
   52    HD2  ARG   7           HD2      ARG   7  20.874   0.969   5.965
   53    HD3  ARG   7           HD1      ARG   7  21.511   1.039   4.323
   54    HE   ARG   7           HE       ARG   7  19.402   2.769   5.434
   55   HH11  ARG   7          HH11      ARG   7  21.764   2.062   2.940
   56   HH12  ARG   7          HH12      ARG   7  21.617   3.620   2.188
   57   HH21  ARG   7          HH21      ARG   7  19.231   4.807   4.474
   58   HH22  ARG   7          HH22      ARG   7  20.178   5.187   3.059
   59    H    GLY   8           HN       GLY   8  17.262  -2.946   3.617
   60    HA2  GLY   8           HA2      GLY   8  19.640  -4.644   4.032
   61    HA3  GLY   8           HA1      GLY   8  18.361  -4.490   5.231
   62    HA   PRO   9           HA       PRO   9  16.253  -7.819   3.150
   63    HB2  PRO   9           HB2      PRO   9  13.692  -7.341   3.830
   64    HB3  PRO   9           HB1      PRO   9  14.886  -7.882   5.016
   65    HG2  PRO   9           HG2      PRO   9  13.828  -5.132   4.507
   66    HG3  PRO   9           HG1      PRO   9  14.164  -5.935   6.052
   67    HD2  PRO   9           HD2      PRO   9  15.847  -4.125   4.861
   68    HD3  PRO   9           HD1      PRO   9  16.387  -5.387   5.985
   69    H    LEU  10           HN       LEU  10  14.355  -8.186   1.595
   70    HA   LEU  10           HA       LEU  10  13.770  -5.859  -0.063
   71    HB2  LEU  10           HB2      LEU  10  15.883  -7.466  -0.748
   72    HB3  LEU  10           HB1      LEU  10  14.564  -8.232  -1.614
   73    HG   LEU  10           HG       LEU  10  14.071  -6.129  -2.760
   74   HD11  LEU  10          HD11      LEU  10  16.473  -5.063  -1.278
   75   HD12  LEU  10          HD12      LEU  10  14.797  -4.566  -1.038
   76   HD13  LEU  10          HD13      LEU  10  15.605  -4.233  -2.569
   77   HD21  LEU  10          HD21      LEU  10  15.627  -7.706  -3.777
   78   HD22  LEU  10          HD22      LEU  10  16.970  -6.942  -2.925
   79   HD23  LEU  10          HD23      LEU  10  16.078  -6.042  -4.152
   80    H    VAL  11           HN       VAL  11  11.704  -5.932  -0.721
   81    HA   VAL  11           HA       VAL  11  10.316  -8.518  -0.677
   82    HB   VAL  11           HB       VAL  11   9.264  -5.948   0.528
   83   HG11  VAL  11          HG11      VAL  11   7.963  -8.647   0.318
   84   HG12  VAL  11          HG12      VAL  11   7.513  -7.206  -0.595
   85   HG13  VAL  11          HG13      VAL  11   7.311  -7.240   1.158
   86   HG21  VAL  11          HG21      VAL  11   9.272  -7.182   2.634
   87   HG22  VAL  11          HG22      VAL  11  10.894  -7.035   1.959
   88   HG23  VAL  11          HG23      VAL  11  10.016  -8.560   1.823
   89    H    THR  12           HN       THR  12   9.694  -8.850  -2.699
   90    HA   THR  12           HA       THR  12   8.741  -6.722  -4.395
   91    HB   THR  12           HB       THR  12   8.682  -9.719  -4.792
   92    HG1  THR  12           HG1      THR  12  10.375  -8.943  -6.420
   93   HG21  THR  12          HG21      THR  12   6.936  -8.581  -6.068
   94   HG22  THR  12          HG22      THR  12   8.199  -9.205  -7.138
   95   HG23  THR  12          HG23      THR  12   8.140  -7.484  -6.749
   96    H    CYS  13           HN       CYS  13   6.610  -6.341  -4.950
   97    HA   CYS  13           HA       CYS  13   4.567  -8.024  -3.695
   98    HB2  CYS  13           HB2      CYS  13   4.496  -5.009  -3.546
   99    HB3  CYS  13           HB1      CYS  13   3.407  -6.145  -2.761
  100    H    THR  14           HN       THR  14   2.541  -7.964  -4.773
  101    HA   THR  14           HA       THR  14   2.363  -7.330  -7.464
  102    HB   THR  14           HB       THR  14   0.129  -7.251  -5.411
  103    HG1  THR  14           HG1      THR  14   0.882  -9.396  -7.137
  104   HG21  THR  14          HG21      THR  14  -1.356  -7.712  -7.322
  105   HG22  THR  14          HG22      THR  14   0.020  -7.601  -8.419
  106   HG23  THR  14          HG23      THR  14  -0.513  -6.171  -7.529
  107    H    CYS  15           HN       CYS  15   1.847  -5.471  -8.569
  108    HA   CYS  15           HA       CYS  15   1.710  -3.033  -6.958
  109    HB2  CYS  15           HB2      CYS  15   3.677  -3.768  -9.033
  110    HB3  CYS  15           HB1      CYS  15   3.073  -2.128  -9.095
  111    H    GLU  16           HN       GLU  16   0.318  -1.511  -7.629
  112    HA   GLU  16           HA       GLU  16  -0.753  -1.542 -10.292
  113    HB2  GLU  16           HB2      GLU  16  -2.042  -3.333  -9.013
  114    HB3  GLU  16           HB1      GLU  16  -2.689  -2.025  -8.025
  115    HG2  GLU  16           HG2      GLU  16  -3.817  -1.058  -9.853
  116    HG3  GLU  16           HG1      GLU  16  -2.956  -2.066 -11.014
  117    H    SER  17           HN       SER  17   0.128   0.511 -10.281
  118    HA   SER  17           HA       SER  17  -0.036   2.769 -10.301
  119    HB2  SER  17           HB2      SER  17  -2.720   1.910  -9.468
  120    HB3  SER  17           HB1      SER  17  -2.288   3.595  -9.210
  121    HG   SER  17           HG       SER  17  -3.023   2.371 -11.476
  122    HA   PRO  18           HA       PRO  18   0.206   3.548  -5.670
  123    HB2  PRO  18           HB2      PRO  18   1.838   1.683  -4.514
  124    HB3  PRO  18           HB1      PRO  18   0.093   1.473  -4.692
  125    HG2  PRO  18           HG2      PRO  18   2.223   0.030  -5.975
  126    HG3  PRO  18           HG1      PRO  18   0.478  -0.230  -6.119
  127    HD2  PRO  18           HD2      PRO  18   2.318   1.252  -7.900
  128    HD3  PRO  18           HD1      PRO  18   0.756   0.484  -8.267
  129    H    HIS  19           HN       HIS  19   3.158   1.805  -5.799
  130    HA   HIS  19           HA       HIS  19   4.766   4.254  -5.855
  131    HB2  HIS  19           HB2      HIS  19   6.160   1.820  -5.088
  132    HB3  HIS  19           HB1      HIS  19   6.028   3.343  -4.212
  133    HD1  HIS  19           HD1      HIS  19   4.562  -0.054  -4.444
  134    HD2  HIS  19           HD2      HIS  19   3.856   3.455  -2.398
  135    HE1  HIS  19           HE1      HIS  19   2.824  -0.603  -2.718
  136    HE2  HIS  19           HE2      HIS  19   2.687   1.452  -1.297
  137    H    CYS  20           HN       CYS  20   3.502   2.187  -7.833
  138    HA   CYS  20           HA       CYS  20   5.842   1.782  -9.513
  139    HB2  CYS  20           HB2      CYS  20   4.126  -0.499  -9.550
  140    HB3  CYS  20           HB1      CYS  20   5.839  -0.452  -9.145
  141    H    LYS  21           HN       LYS  21   5.253   2.596 -11.460
  142    HA   LYS  21           HA       LYS  21   2.446   2.521 -12.280
  143    HB2  LYS  21           HB2      LYS  21   4.128   4.421 -12.814
  144    HB3  LYS  21           HB1      LYS  21   4.783   3.314 -14.009
  145    HG2  LYS  21           HG2      LYS  21   3.306   4.743 -15.162
  146    HG3  LYS  21           HG1      LYS  21   2.488   3.189 -15.017
  147    HD2  LYS  21           HD2      LYS  21   2.016   5.348 -12.991
  148    HD3  LYS  21           HD1      LYS  21   1.175   5.382 -14.539
  149    HE2  LYS  21           HE2      LYS  21   0.268   3.147 -14.087
  150    HE3  LYS  21           HE1      LYS  21   1.102   3.127 -12.533
  151    HZ1  LYS  21           HZ1      LYS  21  -0.201   5.079 -11.876
  152    HZ2  LYS  21           HZ2      LYS  21  -1.192   3.753 -12.232
  153    HZ3  LYS  21           HZ3      LYS  21  -1.046   5.021 -13.349
  154    H    GLY  22           HN       GLY  22   3.929   0.166 -11.651
  155    HA2  GLY  22           HA2      GLY  22   3.736  -1.387 -14.056
  156    HA3  GLY  22           HA1      GLY  22   5.355  -1.241 -13.368
  157    HA   PRO  23           HA       PRO  23   1.602  -3.777 -10.917
  158    HB2  PRO  23           HB2      PRO  23   2.330  -5.407 -13.320
  159    HB3  PRO  23           HB1      PRO  23   0.888  -5.545 -12.297
  160    HG2  PRO  23           HG2      PRO  23   0.768  -4.090 -14.492
  161    HG3  PRO  23           HG1      PRO  23   0.054  -3.475 -12.989
  162    HD2  PRO  23           HD2      PRO  23   2.473  -2.562 -14.417
  163    HD3  PRO  23           HD1      PRO  23   1.474  -1.679 -13.230
  164    H    THR  24           HN       THR  24   4.919  -4.051 -11.431
  165    HA   THR  24           HA       THR  24   4.907  -5.690  -9.040
  166    HB   THR  24           HB       THR  24   7.114  -6.699 -10.088
  167    HG1  THR  24           HG1      THR  24   6.159  -5.582 -12.181
  168   HG21  THR  24          HG21      THR  24   5.883  -8.765 -10.518
  169   HG22  THR  24          HG22      THR  24   4.370  -7.860 -10.545
  170   HG23  THR  24          HG23      THR  24   5.299  -7.978  -9.050
  171    H    CYS  25           HN       CYS  25   6.930  -5.498  -7.773
  172    HA   CYS  25           HA       CYS  25   9.090  -3.980  -8.568
  173    HB2  CYS  25           HB2      CYS  25   8.868  -1.878  -7.525
  174    HB3  CYS  25           HB1      CYS  25   7.340  -2.114  -8.366
  175    H    ARG  26           HN       ARG  26  10.733  -4.624  -7.251
  176    HA   ARG  26           HA       ARG  26  10.070  -5.580  -4.578
  177    HB2  ARG  26           HB2      ARG  26  12.465  -6.208  -4.444
  178    HB3  ARG  26           HB1      ARG  26  11.615  -6.963  -5.780
  179    HG2  ARG  26           HG2      ARG  26  12.561  -5.311  -7.311
  180    HG3  ARG  26           HG1      ARG  26  13.427  -4.571  -5.957
  181    HD2  ARG  26           HD2      ARG  26  14.523  -6.781  -5.560
  182    HD3  ARG  26           HD1      ARG  26  13.768  -7.363  -7.040
  183    HE   ARG  26           HE       ARG  26  15.185  -5.023  -7.647
  184   HH11  ARG  26          HH11      ARG  26  15.824  -8.296  -6.560
  185   HH12  ARG  26          HH12      ARG  26  17.380  -8.383  -7.341
  186   HH21  ARG  26          HH21      ARG  26  17.242  -5.147  -8.670
  187   HH22  ARG  26          HH22      ARG  26  18.172  -6.608  -8.542
  188    H    GLY  27           HN       GLY  27  10.404  -4.507  -2.772
  189    HA2  GLY  27           HA2      GLY  27  12.070  -2.071  -2.869
  190    HA3  GLY  27           HA1      GLY  27  10.425  -2.007  -2.264
  191    H    ALA  28           HN       ALA  28  10.073  -2.318  -0.283
  192    HA   ALA  28           HA       ALA  28  12.301  -3.282   1.426
  193    HB1  ALA  28           HB1      ALA  28  11.995  -0.835   1.570
  194    HB2  ALA  28           HB2      ALA  28  11.636  -1.646   3.094
  195    HB3  ALA  28           HB3      ALA  28  10.315  -1.093   2.058
  196    H    TRP  29           HN       TRP  29   8.907  -2.913   0.920
  197    HA   TRP  29           HA       TRP  29   8.172  -5.356   2.098
  198    HB2  TRP  29           HB2      TRP  29   6.713  -4.219   3.910
  199    HB3  TRP  29           HB1      TRP  29   8.430  -4.402   4.248
  200    HD1  TRP  29           HD1      TRP  29   6.873  -1.586   2.114
  201    HE1  TRP  29           HE1      TRP  29   7.395   0.656   3.229
  202    HE3  TRP  29           HE3      TRP  29   9.158  -3.302   6.351
  203    HZ2  TRP  29           HZ2      TRP  29   8.642   1.601   5.576
  204    HZ3  TRP  29           HZ3      TRP  29   9.992  -1.658   7.979
  205    HH2  TRP  29           HH2      TRP  29   9.736   0.740   7.598
  206    H    CYS  30           HN       CYS  30   5.567  -5.056   2.526
  207    HA   CYS  30           HA       CYS  30   4.692  -4.160  -0.127
  208    HB2  CYS  30           HB2      CYS  30   3.583  -6.185   1.820
  209    HB3  CYS  30           HB1      CYS  30   2.656  -5.609   0.440
  210    H    THR  31           HN       THR  31   3.594  -2.259  -0.215
  211    HA   THR  31           HA       THR  31   2.018  -1.612   2.177
  212    HB   THR  31           HB       THR  31   2.455   0.804   1.664
  213    HG1  THR  31           HG1      THR  31   4.714   0.728   0.437
  214   HG21  THR  31          HG21      THR  31   3.638  -0.387   3.444
  215   HG22  THR  31          HG22      THR  31   4.678   0.812   2.675
  216   HG23  THR  31          HG23      THR  31   4.868  -0.899   2.288
  217    H    VAL  32           HN       VAL  32  -0.044  -1.396   1.857
  218    HA   VAL  32           HA       VAL  32  -1.013  -0.957  -0.881
  219    HB   VAL  32           HB       VAL  32  -3.146  -1.913  -0.182
  220   HG11  VAL  32          HG11      VAL  32  -0.807  -3.626   0.614
  221   HG12  VAL  32          HG12      VAL  32  -1.457  -3.426  -1.012
  222   HG13  VAL  32          HG13      VAL  32  -2.427  -4.209   0.235
  223   HG21  VAL  32          HG21      VAL  32  -1.884  -2.331   2.523
  224   HG22  VAL  32          HG22      VAL  32  -3.484  -2.882   2.015
  225   HG23  VAL  32          HG23      VAL  32  -3.145  -1.158   2.146
  226    H    VAL  33           HN       VAL  33  -2.789   0.468  -1.183
  227    HA   VAL  33           HA       VAL  33  -3.584   2.234   0.936
  228    HB   VAL  33           HB       VAL  33  -2.958   4.031  -1.122
  229   HG11  VAL  33          HG11      VAL  33  -3.096   4.559   1.235
  230   HG12  VAL  33          HG12      VAL  33  -1.565   5.101   0.550
  231   HG13  VAL  33          HG13      VAL  33  -1.619   3.640   1.536
  232   HG21  VAL  33          HG21      VAL  33  -0.515   3.893  -1.300
  233   HG22  VAL  33          HG22      VAL  33  -1.308   2.492  -2.019
  234   HG23  VAL  33          HG23      VAL  33  -0.552   2.359  -0.432
  235    H    LEU  34           HN       LEU  34  -5.717   2.189   0.647
  236    HA   LEU  34           HA       LEU  34  -6.848   2.075  -2.026
  237    HB2  LEU  34           HB2      LEU  34  -7.958   0.775  -0.304
  238    HB3  LEU  34           HB1      LEU  34  -8.125   2.195   0.710
  239    HG   LEU  34           HG       LEU  34  -9.603   3.173  -1.122
  240   HD11  LEU  34          HD11      LEU  34 -10.641   1.620  -2.659
  241   HD12  LEU  34          HD12      LEU  34  -9.631   0.307  -2.050
  242   HD13  LEU  34          HD13      LEU  34  -8.896   1.659  -2.912
  243   HD21  LEU  34          HD21      LEU  34 -10.508   2.330   0.963
  244   HD22  LEU  34          HD22      LEU  34 -10.504   0.685   0.327
  245   HD23  LEU  34          HD23      LEU  34 -11.568   1.903  -0.380
  246    H    VAL  35           HN       VAL  35  -7.203   3.885  -3.159
  247    HA   VAL  35           HA       VAL  35  -7.184   6.425  -1.762
  248    HB   VAL  35           HB       VAL  35  -7.721   5.919  -4.700
  249   HG11  VAL  35          HG11      VAL  35  -8.443   8.109  -3.946
  250   HG12  VAL  35          HG12      VAL  35  -7.016   8.257  -4.972
  251   HG13  VAL  35          HG13      VAL  35  -6.864   8.403  -3.220
  252   HG21  VAL  35          HG21      VAL  35  -5.102   6.493  -3.315
  253   HG22  VAL  35          HG22      VAL  35  -5.349   6.484  -5.061
  254   HG23  VAL  35          HG23      VAL  35  -5.553   4.998  -4.134
  255    H    ARG  36           HN       ARG  36  -8.984   6.275  -0.495
  256    HA   ARG  36           HA       ARG  36 -11.587   5.739  -1.712
  257    HB2  ARG  36           HB2      ARG  36 -10.857   4.697   0.454
  258    HB3  ARG  36           HB1      ARG  36 -10.831   6.322   1.126
  259    HG2  ARG  36           HG2      ARG  36 -12.842   5.320   1.830
  260    HG3  ARG  36           HG1      ARG  36 -13.266   6.496   0.596
  261    HD2  ARG  36           HD2      ARG  36 -13.491   4.731  -1.049
  262    HD3  ARG  36           HD1      ARG  36 -12.963   3.534   0.136
  263    HE   ARG  36           HE       ARG  36 -15.256   5.046   0.984
  264   HH11  ARG  36          HH11      ARG  36 -14.210   2.251  -0.859
  265   HH12  ARG  36          HH12      ARG  36 -15.720   1.410  -0.679
  266   HH21  ARG  36          HH21      ARG  36 -17.234   3.962   1.213
  267   HH22  ARG  36          HH22      ARG  36 -17.441   2.379   0.513
  268    H    GLU  37           HN       GLU  37 -10.436   7.888  -2.610
  269    HA   GLU  37           HA       GLU  37 -10.848  10.247  -1.081
  270    HB2  GLU  37           HB2      GLU  37  -9.054  10.034  -2.663
  271    HB3  GLU  37           HB1      GLU  37 -10.190   9.764  -3.961
  272    HG2  GLU  37           HG2      GLU  37  -9.294  12.019  -4.034
  273    HG3  GLU  37           HG1      GLU  37 -11.024  12.051  -3.679
  274    H    GLU  38           HN       GLU  38 -12.441  11.769  -1.262
  275    HA   GLU  38           HA       GLU  38 -14.928  10.645  -1.279
  276    HB2  GLU  38           HB2      GLU  38 -15.807  13.000  -1.191
  277    HB3  GLU  38           HB1      GLU  38 -14.587  12.589   0.004
  278    HG2  GLU  38           HG2      GLU  38 -12.889  13.698  -1.407
  279    HG3  GLU  38           HG1      GLU  38 -14.168  14.176  -2.520
  280    H    GLY  39           HN       GLY  39 -15.625   9.586  -3.007
  281    HA2  GLY  39           HA2      GLY  39 -16.834   9.310  -4.935
  282    HA3  GLY  39           HA1      GLY  39 -17.072  11.049  -4.953
  283    H    ARG  40           HN       ARG  40 -13.794  10.198  -4.883
  284    HA   ARG  40           HA       ARG  40 -13.546  11.144  -7.618
  285    HB2  ARG  40           HB2      ARG  40 -11.492  10.663  -5.451
  286    HB3  ARG  40           HB1      ARG  40 -11.083  11.181  -7.087
  287    HG2  ARG  40           HG2      ARG  40 -12.767  12.676  -5.087
  288    HG3  ARG  40           HG1      ARG  40 -11.136  13.086  -5.623
  289    HD2  ARG  40           HD2      ARG  40 -13.629  13.065  -7.323
  290    HD3  ARG  40           HD1      ARG  40 -12.792  14.493  -6.723
  291    HE   ARG  40           HE       ARG  40 -10.983  12.934  -8.210
  292   HH11  ARG  40          HH11      ARG  40 -13.769  15.014  -8.650
  293   HH12  ARG  40          HH12      ARG  40 -13.377  15.385 -10.301
  294   HH21  ARG  40          HH21      ARG  40 -10.452  13.470 -10.359
  295   HH22  ARG  40          HH22      ARG  40 -11.495  14.518 -11.272
  296    H    HIS  41           HN       HIS  41 -11.337   8.807  -6.140
  297    HA   HIS  41           HA       HIS  41 -12.198   6.791  -8.069
  298    HB2  HIS  41           HB2      HIS  41  -9.411   7.931  -7.950
  299    HB3  HIS  41           HB1      HIS  41  -9.772   6.374  -8.677
  300    HD1  HIS  41           HD1      HIS  41 -11.595   6.527 -10.718
  301    HD2  HIS  41           HD2      HIS  41  -9.597  10.015  -9.648
  302    HE1  HIS  41           HE1      HIS  41 -11.819   8.073 -12.693
  303    HE2  HIS  41           HE2      HIS  41 -10.422  10.089 -12.099
  304    HA   PRO  42           HA       PRO  42 -11.096   4.779  -4.039
  305    HB2  PRO  42           HB2      PRO  42 -13.198   2.980  -4.404
  306    HB3  PRO  42           HB1      PRO  42 -13.157   4.346  -3.291
  307    HG2  PRO  42           HG2      PRO  42 -14.483   4.090  -5.922
  308    HG3  PRO  42           HG1      PRO  42 -14.906   5.118  -4.543
  309    HD2  PRO  42           HD2      PRO  42 -13.734   6.034  -6.845
  310    HD3  PRO  42           HD1      PRO  42 -13.586   6.839  -5.268
  311    H    GLN  43           HN       GLN  43  -9.288   3.953  -4.908
  312    HA   GLN  43           HA       GLN  43  -9.552   1.483  -6.464
  313    HB2  GLN  43           HB2      GLN  43  -7.786   3.839  -7.125
  314    HB3  GLN  43           HB1      GLN  43  -7.542   2.236  -7.803
  315    HG2  GLN  43           HG2      GLN  43  -9.651   2.310  -8.918
  316    HG3  GLN  43           HG1      GLN  43 -10.097   3.797  -8.086
  317   HE21  GLN  43          HE21      GLN  43  -7.512   5.021  -8.348
  318   HE22  GLN  43          HE22      GLN  43  -7.332   5.469 -10.008
  319    H    GLU  44           HN       GLU  44  -8.198  -0.095  -5.896
  320    HA   GLU  44           HA       GLU  44  -6.598   0.295  -3.509
  321    HB2  GLU  44           HB2      GLU  44  -7.010  -2.210  -5.150
  322    HB3  GLU  44           HB1      GLU  44  -6.338  -2.122  -3.529
  323    HG2  GLU  44           HG2      GLU  44  -8.479  -1.347  -2.670
  324    HG3  GLU  44           HG1      GLU  44  -9.156  -1.401  -4.298
  325    H    HIS  45           HN       HIS  45  -4.676   1.278  -3.894
  326    HA   HIS  45           HA       HIS  45  -3.059   0.262  -6.124
  327    HB2  HIS  45           HB2      HIS  45  -2.732   2.789  -4.489
  328    HB3  HIS  45           HB1      HIS  45  -1.642   2.281  -5.761
  329    HD1  HIS  45           HD1      HIS  45  -2.997   4.972  -6.054
  330    HD2  HIS  45           HD2      HIS  45  -4.640   1.429  -7.496
  331    HE1  HIS  45           HE1      HIS  45  -4.606   5.651  -7.861
  332    HE2  HIS  45           HE2      HIS  45  -5.360   3.481  -8.897
  333    H    ARG  46           HN       ARG  46  -1.596  -1.243  -5.658
  334    HA   ARG  46           HA       ARG  46  -0.552  -1.393  -2.890
  335    HB2  ARG  46           HB2      ARG  46  -0.959  -3.942  -4.344
  336    HB3  ARG  46           HB1      ARG  46  -1.144  -3.570  -2.643
  337    HG2  ARG  46           HG2      ARG  46  -3.321  -2.645  -3.006
  338    HG3  ARG  46           HG1      ARG  46  -3.136  -2.796  -4.758
  339    HD2  ARG  46           HD2      ARG  46  -2.908  -5.255  -4.464
  340    HD3  ARG  46           HD1      ARG  46  -3.232  -5.044  -2.747
  341    HE   ARG  46           HE       ARG  46  -5.397  -3.906  -3.927
  342   HH11  ARG  46          HH11      ARG  46  -3.800  -6.992  -4.281
  343   HH12  ARG  46          HH12      ARG  46  -5.251  -7.853  -4.679
  344   HH21  ARG  46          HH21      ARG  46  -7.363  -5.058  -4.428
  345   HH22  ARG  46          HH22      ARG  46  -7.270  -6.772  -4.742
  346    H    GLY  47           HN       GLY  47   1.596  -2.219  -2.675
  347    HA2  GLY  47           HA2      GLY  47   3.081  -3.601  -4.598
  348    HA3  GLY  47           HA1      GLY  47   3.312  -1.891  -4.943
  349    H    CYS  48           HN       CYS  48   5.577  -2.060  -4.427
  350    HA   CYS  48           HA       CYS  48   6.198  -2.830  -1.677
  351    HB2  CYS  48           HB2      CYS  48   8.487  -3.037  -2.403
  352    HB3  CYS  48           HB1      CYS  48   7.463  -3.916  -3.527
  353    H    GLY  49           HN       GLY  49   6.701  -1.343  -0.222
  354    HA2  GLY  49           HA2      GLY  49   7.106   1.419  -1.090
  355    HA3  GLY  49           HA1      GLY  49   6.973   0.852   0.582
  356    H    ASN  50           HN       ASN  50   9.113   2.387  -1.096
  357    HA   ASN  50           HA       ASN  50  11.359   0.575  -0.661
  358    HB2  ASN  50           HB2      ASN  50  11.325   3.345  -1.872
  359    HB3  ASN  50           HB1      ASN  50  12.717   2.271  -1.794
  360   HD21  ASN  50          HD21      ASN  50  11.158  -0.106  -2.391
  361   HD22  ASN  50          HD22      ASN  50  10.770  -0.024  -4.075
  362    H    LEU  51           HN       LEU  51  13.129   2.946  -0.327
  363    HA   LEU  51           HA       LEU  51  13.303   2.856   2.493
  364    HB2  LEU  51           HB2      LEU  51  14.675   4.914   0.791
  365    HB3  LEU  51           HB1      LEU  51  15.243   4.155   2.263
  366    HG   LEU  51           HG       LEU  51  15.006   2.008   0.544
  367   HD11  LEU  51          HD11      LEU  51  16.056   4.368  -1.013
  368   HD12  LEU  51          HD12      LEU  51  14.574   3.472  -1.344
  369   HD13  LEU  51          HD13      LEU  51  16.140   2.677  -1.511
  370   HD21  LEU  51          HD21      LEU  51  16.836   2.433   2.106
  371   HD22  LEU  51          HD22      LEU  51  17.429   3.736   1.076
  372   HD23  LEU  51          HD23      LEU  51  17.454   2.071   0.495
  373    H    HIS  52           HN       HIS  52  11.098   4.422   0.735
  374    HA   HIS  52           HA       HIS  52  11.108   7.000   2.052
  375    HB2  HIS  52           HB2      HIS  52   9.002   5.760   0.263
  376    HB3  HIS  52           HB1      HIS  52   9.063   7.439   0.776
  377    HD1  HIS  52           HD1      HIS  52  10.040   8.971  -0.894
  378    HD2  HIS  52           HD2      HIS  52  11.392   5.074  -1.392
  379    HE1  HIS  52           HE1      HIS  52  11.457   9.005  -2.973
  380    HE2  HIS  52           HE2      HIS  52  12.041   6.585  -3.380
  381    H    ARG  53           HN       ARG  53  10.392   7.169   4.071
  382    HA   ARG  53           HA       ARG  53   8.944   5.097   5.366
  383    HB2  ARG  53           HB2      ARG  53  10.569   6.655   6.475
  384    HB3  ARG  53           HB1      ARG  53   9.366   7.928   6.334
  385    HG2  ARG  53           HG2      ARG  53   9.416   6.916   8.566
  386    HG3  ARG  53           HG1      ARG  53   7.854   6.713   7.772
  387    HD2  ARG  53           HD2      ARG  53   8.341   4.436   7.239
  388    HD3  ARG  53           HD1      ARG  53  10.014   4.613   7.769
  389    HE   ARG  53           HE       ARG  53   8.860   5.114  10.046
  390   HH11  ARG  53          HH11      ARG  53   7.790   2.759   7.669
  391   HH12  ARG  53          HH12      ARG  53   7.113   1.686   8.858
  392   HH21  ARG  53          HH21      ARG  53   7.963   3.713  11.589
  393   HH22  ARG  53          HH22      ARG  53   7.210   2.230  11.083
  394    H    GLU  54           HN       GLU  54   8.026   8.082   3.816
  395    HA   GLU  54           HA       GLU  54   5.406   8.366   4.749
  396    HB2  GLU  54           HB2      GLU  54   6.416  10.132   3.494
  397    HB3  GLU  54           HB1      GLU  54   6.722   9.075   2.127
  398    HG2  GLU  54           HG2      GLU  54   4.930  10.508   1.542
  399    HG3  GLU  54           HG1      GLU  54   4.265   8.898   1.799
  400    H    LEU  55           HN       LEU  55   6.769   6.284   2.271
  401    HA   LEU  55           HA       LEU  55   4.232   5.503   1.191
  402    HB2  LEU  55           HB2      LEU  55   6.946   4.237   0.847
  403    HB3  LEU  55           HB1      LEU  55   5.519   3.864  -0.100
  404    HG   LEU  55           HG       LEU  55   7.062   6.456  -0.084
  405   HD11  LEU  55          HD11      LEU  55   8.073   4.660  -1.379
  406   HD12  LEU  55          HD12      LEU  55   7.439   5.921  -2.436
  407   HD13  LEU  55          HD13      LEU  55   6.552   4.410  -2.237
  408   HD21  LEU  55          HD21      LEU  55   4.515   5.777  -1.549
  409   HD22  LEU  55          HD22      LEU  55   5.474   7.240  -1.767
  410   HD23  LEU  55          HD23      LEU  55   4.674   6.933  -0.226
  411    H    CYS  56           HN       CYS  56   4.503   5.089   4.063
  412    HA   CYS  56           HA       CYS  56   3.567   2.355   4.131
  413    HB2  CYS  56           HB2      CYS  56   6.021   2.117   4.410
  414    HB3  CYS  56           HB1      CYS  56   5.957   3.193   5.797
  415    H    ARG  57           HN       ARG  57   2.970   5.379   4.859
  416    HA   ARG  57           HA       ARG  57   1.221   5.013   6.983
  417    HB2  ARG  57           HB2      ARG  57   2.385   5.902   8.893
  418    HB3  ARG  57           HB1      ARG  57   3.315   4.549   8.263
  419    HG2  ARG  57           HG2      ARG  57   4.753   6.215   7.067
  420    HG3  ARG  57           HG1      ARG  57   3.907   7.480   7.962
  421    HD2  ARG  57           HD2      ARG  57   5.559   5.233   9.098
  422    HD3  ARG  57           HD1      ARG  57   5.958   6.948   9.098
  423    HE   ARG  57           HE       ARG  57   3.503   6.224  10.476
  424   HH11  ARG  57          HH11      ARG  57   6.914   6.970  10.684
  425   HH12  ARG  57          HH12      ARG  57   6.908   7.172  12.412
  426   HH21  ARG  57          HH21      ARG  57   3.474   6.524  12.759
  427   HH22  ARG  57          HH22      ARG  57   4.948   6.938  13.582
  428    H    GLY  58           HN       GLY  58   0.001   6.817   7.296
  429    HA2  GLY  58           HA2      GLY  58   1.110   9.433   6.676
  430    HA3  GLY  58           HA1      GLY  58  -0.230   8.903   5.664
  431    H    ARG  59           HN       ARG  59  -2.212   9.292   6.338
  432    HA   ARG  59           HA       ARG  59  -2.736   9.560   9.200
  433    HB2  ARG  59           HB2      ARG  59  -3.650  11.538   7.095
  434    HB3  ARG  59           HB1      ARG  59  -4.217  11.508   8.758
  435    HG2  ARG  59           HG2      ARG  59  -2.016  12.041   9.570
  436    HG3  ARG  59           HG1      ARG  59  -1.355  11.941   7.935
  437    HD2  ARG  59           HD2      ARG  59  -2.863  13.789   7.268
  438    HD3  ARG  59           HD1      ARG  59  -3.387  13.924   8.945
  439    HE   ARG  59           HE       ARG  59  -1.241  14.732   9.527
  440   HH11  ARG  59          HH11      ARG  59  -1.601  14.131   6.101
  441   HH12  ARG  59          HH12      ARG  59  -0.352  15.245   5.628
  442   HH21  ARG  59          HH21      ARG  59   0.430  16.202   8.923
  443   HH22  ARG  59          HH22      ARG  59   0.834  16.387   7.239
  444    HA   PRO  60           HA       PRO  60  -5.669   6.647   7.329
  445    HB2  PRO  60           HB2      PRO  60  -6.095   5.872  10.131
  446    HB3  PRO  60           HB1      PRO  60  -5.568   4.887   8.765
  447    HG2  PRO  60           HG2      PRO  60  -3.885   5.566  10.750
  448    HG3  PRO  60           HG1      PRO  60  -3.341   5.411   9.069
  449    HD2  PRO  60           HD2      PRO  60  -3.974   7.886  10.634
  450    HD3  PRO  60           HD1      PRO  60  -2.637   7.578   9.504
  451    H    THR  61           HN       THR  61  -6.902   8.644   6.929
  452    HA   THR  61           HA       THR  61  -8.889   9.373   8.916
  453    HB   THR  61           HB       THR  61  -9.686  10.893   7.013
  454    HG1  THR  61           HG1      THR  61  -7.436  11.009   5.649
  455   HG21  THR  61          HG21      THR  61  -8.271  11.695   8.854
  456   HG22  THR  61          HG22      THR  61  -7.873  12.492   7.333
  457   HG23  THR  61          HG23      THR  61  -6.835  11.210   7.953
  458    H    GLU  62           HN       GLU  62  -9.207   8.724   5.472
  459    HA   GLU  62           HA       GLU  62 -10.829   6.429   5.749
  460    HB2  GLU  62           HB2      GLU  62 -12.934   7.399   4.855
  461    HB3  GLU  62           HB1      GLU  62 -12.558   7.943   6.483
  462    HG2  GLU  62           HG2      GLU  62 -11.668  10.045   5.518
  463    HG3  GLU  62           HG1      GLU  62 -12.185   9.489   3.929
  464    H    PHE  63           HN       PHE  63  -9.911   9.212   3.786
  465    HA   PHE  63           HA       PHE  63 -10.316   7.743   1.323
  466    HB2  PHE  63           HB2      PHE  63  -9.506   9.842   0.225
  467    HB3  PHE  63           HB1      PHE  63 -10.893  10.077   1.280
  468    HD1  PHE  63           HD2      PHE  63  -7.310  10.721   0.847
  469    HD2  PHE  63           HD1      PHE  63 -10.730  11.375   3.292
  470    HE1  PHE  63           HE2      PHE  63  -6.114  12.509   2.033
  471    HE2  PHE  63           HE1      PHE  63  -9.541  13.173   4.476
  472    HZ   PHE  63           HZ       PHE  63  -7.230  13.739   3.850
  473    H    VAL  64           HN       VAL  64  -8.447   6.610   3.110
  474    HA   VAL  64           HA       VAL  64  -6.239   6.070   1.514
  475    HB   VAL  64           HB       VAL  64  -5.541   8.366   1.852
  476   HG11  VAL  64          HG11      VAL  64  -5.579   7.756   4.799
  477   HG12  VAL  64          HG12      VAL  64  -6.657   8.855   3.940
  478   HG13  VAL  64          HG13      VAL  64  -4.938   9.225   4.067
  479   HG21  VAL  64          HG21      VAL  64  -3.819   6.446   3.416
  480   HG22  VAL  64          HG22      VAL  64  -3.290   7.990   2.748
  481   HG23  VAL  64          HG23      VAL  64  -3.790   6.689   1.669
  482    H    ASN  65           HN       ASN  65  -5.328   4.250   2.219
  483    HA   ASN  65           HA       ASN  65  -5.273   3.625   5.091
  484    HB2  ASN  65           HB2      ASN  65  -5.779   1.333   3.246
  485    HB3  ASN  65           HB1      ASN  65  -6.251   1.536   4.927
  486   HD21  ASN  65          HD21      ASN  65  -7.626   0.582   2.549
  487   HD22  ASN  65          HD22      ASN  65  -9.080   1.517   2.441
  488    H    HIS  66           HN       HIS  66  -2.945   3.984   5.016
  489    HA   HIS  66           HA       HIS  66  -1.544   2.444   2.983
  490    HB2  HIS  66           HB2      HIS  66  -1.037   4.926   3.921
  491    HB3  HIS  66           HB1      HIS  66   0.047   3.979   4.933
  492    HD1  HIS  66           HD1      HIS  66   0.687   1.845   2.644
  493    HD2  HIS  66           HD2      HIS  66   0.944   5.973   2.308
  494    HE1  HIS  66           HE1      HIS  66   2.206   2.267   0.690
  495    HE2  HIS  66           HE2      HIS  66   2.109   4.761   0.341
  496    H    TYR  67           HN       TYR  67  -1.660   0.383   3.562
  497    HA   TYR  67           HA       TYR  67  -0.846  -0.446   6.261
  498    HB2  TYR  67           HB2      TYR  67  -2.890  -1.437   5.255
  499    HB3  TYR  67           HB1      TYR  67  -1.918  -2.089   3.938
  500    HD1  TYR  67           HD1      TYR  67  -2.640  -2.352   7.548
  501    HD2  TYR  67           HD2      TYR  67  -0.672  -4.103   4.207
  502    HE1  TYR  67           HE1      TYR  67  -2.276  -4.407   8.847
  503    HE2  TYR  67           HE2      TYR  67  -0.296  -6.162   5.495
  504    HH   TYR  67           HH       TYR  67  -1.867  -6.756   8.489
  505    H    CYS  68           HN       CYS  68   0.821  -2.095   6.539
  506    HA   CYS  68           HA       CYS  68   2.622  -2.423   4.243
  507    HB2  CYS  68           HB2      CYS  68   3.671  -1.790   7.001
  508    HB3  CYS  68           HB1      CYS  68   4.570  -1.870   5.494
  509    H    CYS  69           HN       CYS  69   3.362  -4.420   4.003
  510    HA   CYS  69           HA       CYS  69   2.713  -6.433   6.034
  511    HB2  CYS  69           HB2      CYS  69   3.373  -6.599   3.110
  512    HB3  CYS  69           HB1      CYS  69   3.364  -8.028   4.131
  513    H    ASP  70           HN       ASP  70   4.398  -8.415   5.673
  514    HA   ASP  70           HA       ASP  70   7.032  -7.289   6.359
  515    HB2  ASP  70           HB2      ASP  70   5.988  -8.401   8.232
  516    HB3  ASP  70           HB1      ASP  70   5.650  -9.824   7.257
  517    H    SER  71           HN       SER  71   5.461  -9.170   3.964
  518    HA   SER  71           HA       SER  71   7.970 -10.454   3.229
  519    HB2  SER  71           HB2      SER  71   6.667 -12.066   4.637
  520    HB3  SER  71           HB1      SER  71   5.374 -11.995   3.440
  521    HG   SER  71           HG       SER  71   7.737 -13.369   3.384
  522    H    HIS  72           HN       HIS  72   7.746 -11.560   1.097
  523    HA   HIS  72           HA       HIS  72   6.883  -9.574  -0.747
  524    HB2  HIS  72           HB2      HIS  72   7.767 -11.198  -2.460
  525    HB3  HIS  72           HB1      HIS  72   8.922 -10.694  -1.234
  526    HD1  HIS  72           HD1      HIS  72   9.950 -12.491   0.217
  527    HD2  HIS  72           HD2      HIS  72   6.869 -13.909  -2.190
  528    HE1  HIS  72           HE1      HIS  72  10.028 -14.999   0.416
  529    HE2  HIS  72           HE2      HIS  72   8.015 -15.809  -0.867
  530    H    LEU  73           HN       LEU  73   5.238  -9.540  -2.100
  531    HA   LEU  73           HA       LEU  73   3.392 -10.105  -3.308
  532    HB2  LEU  73           HB2      LEU  73   3.938 -12.952  -2.459
  533    HB3  LEU  73           HB1      LEU  73   2.860 -12.444  -3.745
  534    HG   LEU  73           HG       LEU  73   5.865 -12.165  -3.714
  535   HD11  LEU  73          HD11      LEU  73   5.764 -13.736  -5.593
  536   HD12  LEU  73          HD12      LEU  73   4.022 -13.885  -5.362
  537   HD13  LEU  73          HD13      LEU  73   5.130 -14.436  -4.104
  538   HD21  LEU  73          HD21      LEU  73   4.910 -10.262  -4.840
  539   HD22  LEU  73          HD22      LEU  73   3.854 -11.311  -5.788
  540   HD23  LEU  73          HD23      LEU  73   5.600 -11.366  -6.031
  541    H    CYS  74           HN       CYS  74   3.170  -9.199  -0.733
  542    HA   CYS  74           HA       CYS  74   1.194 -10.863   0.634
  543    HB2  CYS  74           HB2      CYS  74   2.967  -9.936   2.042
  544    HB3  CYS  74           HB1      CYS  74   2.557  -8.306   1.518
  545    H    ASN  75           HN       ASN  75   1.582  -7.884  -1.100
  546    HA   ASN  75           HA       ASN  75  -1.056  -6.930  -0.574
  547    HB2  ASN  75           HB2      ASN  75   0.853  -6.165  -2.781
  548    HB3  ASN  75           HB1      ASN  75  -0.621  -5.316  -2.356
  549   HD21  ASN  75          HD21      ASN  75   1.941  -4.229  -2.448
  550   HD22  ASN  75          HD22      ASN  75   2.353  -3.702  -0.855
  551    H    HIS  76           HN       HIS  76   0.011  -9.533  -2.260
  552    HA   HIS  76           HA       HIS  76  -1.637  -9.284  -4.557
  553    HB2  HIS  76           HB2      HIS  76   0.401 -10.760  -4.399
  554    HB3  HIS  76           HB1      HIS  76  -0.542 -11.838  -3.375
  555    HD1  HIS  76           HD1      HIS  76  -2.942 -12.604  -4.682
  556    HD2  HIS  76           HD2      HIS  76   0.331 -11.467  -6.981
  557    HE1  HIS  76           HE1      HIS  76  -3.352 -13.561  -6.970
  558    HE2  HIS  76           HE2      HIS  76  -1.389 -12.810  -8.364
  559    H    ASN  77           HN       ASN  77  -1.915 -10.364  -1.309
  560    HA   ASN  77           HA       ASN  77  -4.783 -10.890  -1.655
  561    HB2  ASN  77           HB2      ASN  77  -2.856 -12.618  -0.063
  562    HB3  ASN  77           HB1      ASN  77  -4.607 -12.798  -0.074
  563   HD21  ASN  77          HD21      ASN  77  -2.348 -14.576  -0.894
  564   HD22  ASN  77          HD22      ASN  77  -2.739 -15.064  -2.517
  565    H    VAL  78           HN       VAL  78  -4.259  -8.524  -0.896
  566    HA   VAL  78           HA       VAL  78  -3.938  -8.437   2.024
  567    HB   VAL  78           HB       VAL  78  -2.473  -7.038   0.481
  568   HG11  VAL  78          HG11      VAL  78  -5.042  -5.521   0.145
  569   HG12  VAL  78          HG12      VAL  78  -4.087  -6.309  -1.111
  570   HG13  VAL  78          HG13      VAL  78  -3.449  -4.893  -0.276
  571   HG21  VAL  78          HG21      VAL  78  -2.446  -5.107   1.959
  572   HG22  VAL  78          HG22      VAL  78  -2.627  -6.602   2.876
  573   HG23  VAL  78          HG23      VAL  78  -4.025  -5.564   2.600
  574    H    SER  79           HN       SER  79  -5.181  -6.130   2.670
  575    HA   SER  79           HA       SER  79  -7.959  -6.326   1.740
  576    HB2  SER  79           HB2      SER  79  -7.149  -5.884   4.620
  577    HB3  SER  79           HB1      SER  79  -8.765  -6.189   3.989
  578    HG   SER  79           HG       SER  79  -7.145  -8.175   3.234
  579    H    LEU  80           HN       LEU  80  -8.547  -4.376   0.935
  580    HA   LEU  80           HA       LEU  80  -7.314  -1.993   2.116
  581    HB2  LEU  80           HB2      LEU  80  -7.342  -2.861  -0.686
  582    HB3  LEU  80           HB1      LEU  80  -7.784  -1.183  -0.428
  583    HG   LEU  80           HG       LEU  80  -5.208  -2.528   0.358
  584   HD11  LEU  80          HD11      LEU  80  -4.228  -0.927  -1.168
  585   HD12  LEU  80          HD12      LEU  80  -5.813  -0.238  -1.497
  586   HD13  LEU  80          HD13      LEU  80  -5.445  -1.891  -1.998
  587   HD21  LEU  80          HD21      LEU  80  -6.234   0.233   1.004
  588   HD22  LEU  80          HD22      LEU  80  -4.548  -0.258   1.152
  589   HD23  LEU  80          HD23      LEU  80  -5.780  -1.033   2.146
  590    H    VAL  81           HN       VAL  81  -9.303  -2.066   3.348
  591    HA   VAL  81           HA       VAL  81 -10.985  -0.009   2.496
  592    HB   VAL  81           HB       VAL  81 -12.250  -1.355   1.074
  593   HG11  VAL  81          HG11      VAL  81 -12.149  -3.569   3.110
  594   HG12  VAL  81          HG12      VAL  81 -11.216  -3.495   1.615
  595   HG13  VAL  81          HG13      VAL  81 -12.974  -3.630   1.552
  596   HG21  VAL  81          HG21      VAL  81 -13.501  -1.399   3.803
  597   HG22  VAL  81          HG22      VAL  81 -14.378  -1.847   2.332
  598   HG23  VAL  81          HG23      VAL  81 -13.742  -0.211   2.518
  599    H    LEU  82           HN       LEU  82 -10.736   0.895   4.394
  600    HA   LEU  82           HA       LEU  82 -10.698   1.110   6.721
  601    HB2  LEU  82           HB2      LEU  82 -13.578   0.824   5.888
  602    HB3  LEU  82           HB1      LEU  82 -13.064   1.478   7.430
  603    HG   LEU  82           HG       LEU  82 -13.506   3.367   6.145
  604   HD11  LEU  82          HD11      LEU  82 -11.353   3.551   7.246
  605   HD12  LEU  82          HD12      LEU  82 -11.347   4.432   5.719
  606   HD13  LEU  82          HD13      LEU  82 -10.551   2.862   5.830
  607   HD21  LEU  82          HD21      LEU  82 -13.776   2.269   3.989
  608   HD22  LEU  82          HD22      LEU  82 -12.027   2.099   3.844
  609   HD23  LEU  82          HD23      LEU  82 -12.760   3.703   3.843
  610    H    GLU  83           HN       GLU  83  -9.708  -1.026   6.941
  611    HA   GLU  83           HA       GLU  83 -10.716  -3.460   7.495
  612    HB2  GLU  83           HB2      GLU  83  -8.329  -2.845   7.493
  613    HB3  GLU  83           HB1      GLU  83  -8.523  -2.067   9.057
  614    HG2  GLU  83           HG2      GLU  83  -9.277  -4.320   9.939
  615    HG3  GLU  83           HG1      GLU  83  -8.687  -4.993   8.420
  616    H    ALA  84           HN       ALA  84 -12.863  -2.856   8.441
  617    HA   ALA  84           HA       ALA  84 -12.741  -4.336  10.876
  618    HB1  ALA  84           HB1      ALA  84 -14.219  -2.886  12.178
  619    HB2  ALA  84           HB2      ALA  84 -14.039  -1.622  10.960
  620    HB3  ALA  84           HB3      ALA  84 -12.640  -2.148  11.900
  621    H    THR  85           HN       THR  85 -13.979  -5.906  10.140
  622    HA   THR  85           HA       THR  85 -15.666  -7.023   9.180
  623    HB   THR  85           HB       THR  85 -17.454  -4.681   9.827
  624    HG1  THR  85           HG1      THR  85 -16.389  -6.672  11.584
  625   HG21  THR  85          HG21      THR  85 -19.071  -6.473  10.347
  626   HG22  THR  85          HG22      THR  85 -17.869  -7.673   9.874
  627   HG23  THR  85          HG23      THR  85 -18.514  -6.551   8.677
  628    H    GLN  86           HN       GLN  86 -14.061  -5.509   7.493
  629    HA   GLN  86           HA       GLN  86 -15.704  -5.018   5.203
  630    HB2  GLN  86           HB2      GLN  86 -14.450  -2.735   6.679
  631    HB3  GLN  86           HB1      GLN  86 -14.680  -2.649   4.939
  632    HG2  GLN  86           HG2      GLN  86 -17.087  -3.053   5.261
  633    HG3  GLN  86           HG1      GLN  86 -16.831  -3.056   7.005
  634   HE21  GLN  86          HE21      GLN  86 -18.463  -1.323   5.316
  635   HE22  GLN  86          HE22      GLN  86 -17.926   0.287   5.639
  636    HA   PRO  87           HA       PRO  87 -10.883  -4.097   4.457
  637    HB2  PRO  87           HB2      PRO  87  -9.357  -6.100   5.633
  638    HB3  PRO  87           HB1      PRO  87  -9.512  -4.434   6.196
  639    HG2  PRO  87           HG2      PRO  87 -10.940  -6.888   7.107
  640    HG3  PRO  87           HG1      PRO  87 -10.324  -5.523   8.059
  641    HD2  PRO  87           HD2      PRO  87 -12.920  -5.748   7.518
  642    HD3  PRO  87           HD1      PRO  87 -12.121  -4.163   7.499
  643    HA   PRO  88           HA       PRO  88  -9.930  -8.824   3.101
  644    HB2  PRO  88           HB2      PRO  88 -12.809  -9.539   2.843
  645    HB3  PRO  88           HB1      PRO  88 -11.421 -10.569   3.204
  646    HG2  PRO  88           HG2      PRO  88 -13.103  -9.739   5.134
  647    HG3  PRO  88           HG1      PRO  88 -11.369  -9.949   5.429
  648    HD2  PRO  88           HD2      PRO  88 -12.965  -7.506   5.205
  649    HD3  PRO  88           HD1      PRO  88 -11.417  -7.785   6.022
  650    H    SER  89           HN       SER  89  -9.222  -7.950   1.210
  651    HA   SER  89           HA       SER  89 -11.179  -7.401  -0.895
  652    HB2  SER  89           HB2      SER  89  -8.163  -7.077  -0.963
  653    HB3  SER  89           HB1      SER  89  -9.311  -6.474  -2.154
  654    HG   SER  89           HG       SER  89  -9.346  -4.736  -0.994
  655    H    GLU  90           HN       GLU  90  -8.018  -8.995  -0.773
  656    HA   GLU  90           HA       GLU  90  -8.960 -10.993  -2.696
  657    HB2  GLU  90           HB2      GLU  90  -6.162 -10.640  -1.626
  658    HB3  GLU  90           HB1      GLU  90  -6.657 -11.506  -3.072
  659    HG2  GLU  90           HG2      GLU  90  -6.983  -8.539  -2.741
  660    HG3  GLU  90           HG1      GLU  90  -5.546  -9.283  -3.434
  661    H    GLN  91           HN       GLN  91  -7.638 -10.610   0.518
  662    HA   GLN  91           HA       GLN  91  -8.154 -13.454   1.074
  663    HB2  GLN  91           HB2      GLN  91  -5.733 -13.000   0.896
  664    HB3  GLN  91           HB1      GLN  91  -5.881 -11.778   2.149
  665    HG2  GLN  91           HG2      GLN  91  -6.648 -13.554   3.705
  666    HG3  GLN  91           HG1      GLN  91  -6.309 -14.738   2.441
  667   HE21  GLN  91          HE21      GLN  91  -4.942 -12.511   4.724
  668   HE22  GLN  91          HE22      GLN  91  -3.316 -13.088   4.624
  669    HA   PRO  92           HA       PRO  92 -10.555 -11.502   4.355
  670    HB2  PRO  92           HB2      PRO  92 -11.668 -14.112   4.874
  671    HB3  PRO  92           HB1      PRO  92 -12.448 -12.721   4.117
  672    HG2  PRO  92           HG2      PRO  92 -11.845 -15.047   2.794
  673    HG3  PRO  92           HG1      PRO  92 -12.009 -13.468   2.005
  674    HD2  PRO  92           HD2      PRO  92  -9.524 -14.931   2.824
  675    HD3  PRO  92           HD1      PRO  92  -9.849 -13.996   1.347
  676    H    GLY  93           HN       GLY  93  -7.820 -12.474   4.772
  677    HA2  GLY  93           HA2      GLY  93  -7.962 -14.249   7.071
  678    HA3  GLY  93           HA1      GLY  93  -6.503 -13.710   6.258
  679    H    THR  94           HN       THR  94  -7.790 -10.863   6.533
  680    HA   THR  94           HA       THR  94  -6.422 -10.281   9.005
  681    HB   THR  94           HB       THR  94  -7.073  -7.898   8.450
  682    HG1  THR  94           HG1      THR  94  -7.625  -8.153   5.890
  683   HG21  THR  94          HG21      THR  94  -4.901  -8.824   7.801
  684   HG22  THR  94          HG22      THR  94  -5.503  -7.707   6.578
  685   HG23  THR  94          HG23      THR  94  -5.607  -9.446   6.309
  686    H    ASP  95           HN       ASP  95  -9.279  -8.476   8.209
  687    HA   ASP  95           HA       ASP  95 -10.689  -9.677  10.497
  688    HB2  ASP  95           HB2      ASP  95 -10.255  -7.135  10.442
  689    HB3  ASP  95           HB1      ASP  95 -11.439  -7.077   9.140
  690    H    GLY  96           HN       GLY  96 -13.344  -8.743   9.472
  691    HA2  GLY  96           HA2      GLY  96 -13.482 -10.429   7.071
  692    HA3  GLY  96           HA1      GLY  96 -14.349 -10.958   8.495
  693    H    GLN  97           HN       GLN  97 -14.195  -8.350   6.042
  694    HA   GLN  97           HA       GLN  97 -16.869  -7.551   6.369
  695    HB2  GLN  97           HB2      GLN  97 -16.853  -6.924   4.001
  696    HB3  GLN  97           HB1      GLN  97 -15.394  -6.391   4.812
  697    HG2  GLN  97           HG2      GLN  97 -14.532  -7.160   2.853
  698    HG3  GLN  97           HG1      GLN  97 -14.405  -8.612   3.845
  699   HE21  GLN  97          HE21      GLN  97 -14.436  -9.959   2.040
  700   HE22  GLN  97          HE22      GLN  97 -15.873 -10.243   1.123