*HEADER    STRUCTURAL PROTEIN                      18-FEB-05   1YWJ              
*TITLE     STRUCTURE OF THE FBP11WW1 DOMAIN                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FORMIN-BINDING PROTEIN 3;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: WW1 DOMAIN;                                                
*COMPND   5 SYNONYM: FORMIN BINDING PROTEIN 11;                                  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 DE3;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX-2TK                                  
*KEYWDS    WW DOMAIN, CLASS II, PROLINE-RICH PEPTIDES, PROTEIN-PROTEIN           
*KEYWDS   2 INTERACTIONS                                                         
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    J.R.PIRES, C.PARTHIER, R.AIDO-MACHADO, U.WIEDEMANN, L.OTTE,           
*AUTHOR   2 G.BOEHM, R.RUDOLPH, H.OSCHKINAT                                      
*REVDAT   1   12-APR-05 1YWJ    0                                                

! Unambiguous distance restraints

 ASSI {    4}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
      1.400     0.200     0.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.43452E-01 ppm1      2.109 ppm2      2.073 CV     1
 ASSI {    6}
   (( segid "    " and resid 25   and name HA2 ))
   (( segid "    " and resid 25   and name HA1 ))
      1.700     0.400     0.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.17933E-01 ppm1      3.616 ppm2      4.311 CV     1
 ASSI {   10}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HB1 ))
      1.700     0.400     0.500 peak    10 spectrum    1 weight  0.10000E+01 volume  0.11946E-01 ppm1      3.140 ppm2      3.649 CV     1
 ASSI {   16}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB1 ))
      1.800     0.400     0.400 peak    16 spectrum    1 weight  0.10000E+01 volume  0.98216E-02 ppm1      1.229 ppm2      2.577 CV     1
 ASSI {   17}
   (( segid "    " and resid 34   and name HB  ))
   (  segid "    " and resid 34   and name HG2%)
      2.000     0.500     0.500 peak    17 spectrum    1 weight  0.10000E+01 volume  0.97389E-02 ppm1      4.215 ppm2      0.968 CV     1
 ASSI {   18}
   (( segid "    " and resid 41   and name HG1 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.000     0.500     0.500 peak    18 spectrum    1 weight  0.10000E+01 volume  0.95734E-02 ppm1      1.020 ppm2      1.280 CV     1
 ASSI {   20}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB1 ))
      1.600     0.300     0.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.84009E-02 ppm1      0.049 ppm2      2.241 CV     1
 ASSI {   22}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.100     0.500     0.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.80282E-02 ppm1      4.825 ppm2      2.380 CV     1
 ASSI {   25}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.400     0.700     0.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.77662E-02 ppm1      4.615 ppm2      2.709 CV     1
 ASSI {   29}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
      2.500     0.800     0.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.70625E-02 ppm1      1.783 ppm2      4.462 CV     1
 ASSI {   30}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 31   and name HB1 ))
      2.400     0.700     0.700 peak    30 spectrum    1 weight  0.10000E+01 volume  0.69798E-02 ppm1      1.704 ppm2      2.277 CV     1
 ASSI {   32}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 30   and name HD% )
      2.200     0.600     0.600 peak    32 spectrum    1 weight  0.10000E+01 volume  0.64558E-02 ppm1      6.581 ppm2      6.917 CV     1
 ASSI {   33}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HA  ))
      2.300     0.600     0.600 peak    33 spectrum    1 weight  0.10000E+01 volume  0.64144E-02 ppm1      4.235 ppm2      4.768 CV     1
 ASSI {   34}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HG1 ))
      2.200     0.600     0.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.61800E-02 ppm1      2.767 ppm2      1.610 CV     1
 OR {   34}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HG2 ))
 ASSI {   35}
   (( segid "    " and resid 35   and name HG1 ))
   (( segid "    " and resid 35   and name HB2 ))
      2.200     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.60007E-02 ppm1      1.191 ppm2      2.067 CV     1
 ASSI {   37}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 42   and name HG2 ))
      1.800     0.400     0.400 peak    37 spectrum    1 weight  0.10000E+01 volume  0.58211E-02 ppm1      0.652 ppm2      0.321 CV     1
 ASSI {   38}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB  ))
      2.400     0.700     0.700 peak    38 spectrum    1 weight  0.10000E+01 volume  0.58073E-02 ppm1      3.707 ppm2      4.270 CV     1
 ASSI {   39}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HD1 ))
      1.800     0.400     0.400 peak    39 spectrum    1 weight  0.10000E+01 volume  0.57521E-02 ppm1      2.277 ppm2      2.546 CV     1
 ASSI {   40}
   (( segid "    " and resid 27   and name HB  ))
   (  segid "    " and resid 27   and name HG2%)
      2.300     0.600     0.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.56418E-02 ppm1      3.962 ppm2      0.858 CV     1
 ASSI {   41}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.600     0.800     0.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.53660E-02 ppm1      3.615 ppm2      2.058 CV     1
 ASSI {   42}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      2.500     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.53523E-02 ppm1      1.212 ppm2      3.948 CV     1
 ASSI {   44}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
      2.400     0.700     0.700 peak    44 spectrum    1 weight  0.10000E+01 volume  0.53247E-02 ppm1      1.262 ppm2      4.183 CV     1
 ASSI {   46}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HB  ))
      2.400     0.700     0.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.52281E-02 ppm1      1.379 ppm2      4.269 CV     1
 ASSI {   47}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak    47 spectrum    1 weight  0.10000E+01 volume  0.52144E-02 ppm1      4.189 ppm2      4.794 CV     1
 ASSI {   49}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HD1 ))
      2.000     0.500     0.500 peak    49 spectrum    1 weight  0.10000E+01 volume  0.50627E-02 ppm1      2.979 ppm2      2.545 CV     1
 ASSI {   50}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.200     0.600     0.600 peak    50 spectrum    1 weight  0.10000E+01 volume  0.49799E-02 ppm1      5.170 ppm2      1.608 CV     1
 ASSI {   55}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 28   and name HD% )
      2.300     0.700     0.700 peak    55 spectrum    1 weight  0.10000E+01 volume  0.48141E-02 ppm1      2.389 ppm2      6.758 CV     1
 ASSI {   56}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.300     0.700     0.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.48141E-02 ppm1      4.484 ppm2      2.595 CV     1
 ASSI {   57}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HB2 ))
      2.200     0.600     0.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.48003E-02 ppm1      2.318 ppm2      1.700 CV     1
 ASSI {   61}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.500     0.800     0.800 peak    61 spectrum    1 weight  0.10000E+01 volume  0.46072E-02 ppm1      5.590 ppm2      2.660 CV     1
 ASSI {   64}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 34   and name HG2%)
      2.500     0.800     0.800 peak    64 spectrum    1 weight  0.10000E+01 volume  0.45245E-02 ppm1      4.092 ppm2      0.946 CV     1
 ASSI {   66}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.500     0.800     0.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.41246E-02 ppm1      4.615 ppm2      2.917 CV     1
 ASSI {   67}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 17   and name HZ3 ))
      2.800     1.000     1.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.40005E-02 ppm1      1.082 ppm2      6.975 CV     1
 ASSI {   68}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.700     0.900     0.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.39729E-02 ppm1      0.775 ppm2      1.308 CV     1
 ASSI {   71}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak    71 spectrum    1 weight  0.10000E+01 volume  0.39178E-02 ppm1      1.081 ppm2      4.230 CV     1
 ASSI {   73}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.38488E-02 ppm1      0.869 ppm2      4.880 CV     1
 ASSI {   74}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HD2 ))
      2.400     0.700     0.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.37521E-02 ppm1      2.978 ppm2      2.271 CV     1
 ASSI {   76}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
      2.000     0.500     0.500 peak    76 spectrum    1 weight  0.11000E+01 volume  0.37107E-02 ppm1      4.398 ppm2      5.179 CV     1
 ASSI {   77}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 27   and name HA  ))
      2.100     0.500     0.500 peak    77 spectrum    1 weight  0.11000E+01 volume  0.36693E-02 ppm1      5.169 ppm2      4.887 CV     1
 ASSI {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG1 ))
      2.400     0.700     0.700 peak    78 spectrum    1 weight  0.10000E+01 volume  0.36279E-02 ppm1      1.768 ppm2      1.451 CV     1
 ASSI {   81}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HD1 ))
      2.800     1.000     1.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.35176E-02 ppm1      2.001 ppm2      2.759 CV     1
 ASSI {   83}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 4    and name HA1 ))
      3.100     3.100     2.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.34762E-02 ppm1      4.507 ppm2      3.918 CV     1
 ASSI {   86}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.34072E-02 ppm1      4.004 ppm2      4.489 CV     1
 ASSI {   87}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.700     0.900     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.33934E-02 ppm1      5.186 ppm2      3.063 CV     1
 ASSI {   93}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      2.700     0.900     0.900 peak    93 spectrum    1 weight  0.10000E+01 volume  0.31865E-02 ppm1      3.707 ppm2      1.364 CV     1
 ASSI {   94}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HG1 ))
      2.600     0.800     0.800 peak    94 spectrum    1 weight  0.10000E+01 volume  0.31727E-02 ppm1      1.470 ppm2      1.024 CV     1
 ASSI {   95}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.400     3.400     2.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.31038E-02 ppm1      2.680 ppm2      4.418 CV     1
 ASSI {   96}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
      1.800     0.400     0.400 peak    96 spectrum    1 weight  0.11000E+01 volume  0.30623E-02 ppm1      5.591 ppm2      6.051 CV     1
 ASSI {   97}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 29   and name HA  ))
      2.300     0.700     0.700 peak    97 spectrum    1 weight  0.10000E+01 volume  0.30623E-02 ppm1      4.472 ppm2      5.290 CV     1
 ASSI {   98}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HG1 ))
      2.700     0.900     0.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.30210E-02 ppm1      1.855 ppm2      1.436 CV     1
 ASSI {  100}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      2.300     0.700     0.700 peak   100 spectrum    1 weight  0.10000E+01 volume  0.29520E-02 ppm1      5.590 ppm2      6.935 CV     1
 ASSI {  101}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG1 ))
      3.100     1.200     1.200 peak   101 spectrum    1 weight  0.10000E+01 volume  0.29382E-02 ppm1      4.479 ppm2      1.631 CV     1
 ASSI {  102}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HE3 ))
      3.000     1.100     1.100 peak   102 spectrum    1 weight  0.10000E+01 volume  0.28830E-02 ppm1      5.034 ppm2      8.007 CV     1
 ASSI {  107}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      2.300     0.700     0.700 peak   107 spectrum    1 weight  0.10000E+01 volume  0.27727E-02 ppm1      5.035 ppm2      3.650 CV     1
 ASSI {  115}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.700     0.900     0.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.26623E-02 ppm1      2.981 ppm2      1.295 CV     1
 ASSI {  117}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HG1 ))
      2.800     1.000     1.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.26485E-02 ppm1      3.614 ppm2      1.180 CV     1
 ASSI {  118}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.25934E-02 ppm1      1.263 ppm2      4.795 CV     1
 ASSI {  120}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.900     1.000     1.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.25519E-02 ppm1      4.304 ppm2      1.782 CV     1
 ASSI {  121}
   (( segid "    " and resid 19   and name HG1 ))
   (  segid "    " and resid 27   and name HG2%)
      2.500     0.800     0.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.25519E-02 ppm1      1.969 ppm2      0.857 CV     1
 ASSI {  122}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      2.300     0.700     0.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.25382E-02 ppm1      2.848 ppm2      5.292 CV     1
 ASSI {  123}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HD% )
      2.600     0.900     0.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.24830E-02 ppm1      5.300 ppm2      6.785 CV     1
 ASSI {  124}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
      3.500     3.500     2.500 peak   124 spectrum    1 weight  0.10000E+01 volume  0.24416E-02 ppm1      2.589 ppm2      4.462 CV     1
 ASSI {  125}
   (( segid "    " and resid 35   and name HG1 ))
   (( segid "    " and resid 35   and name HD1 ))
      3.100     1.200     1.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.24002E-02 ppm1      1.174 ppm2      1.582 CV     1
 ASSI {  126}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 39   and name HZ3 ))
      3.500     1.500     1.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.24002E-02 ppm1      2.000 ppm2      6.949 CV     1
 ASSI {  129}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HG2 ))
      2.800     1.000     1.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.22899E-02 ppm1      1.470 ppm2      0.794 CV     1
 ASSI {  132}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.100     1.200     1.200 peak   132 spectrum    1 weight  0.10000E+01 volume  0.21519E-02 ppm1      2.508 ppm2      2.023 CV     1
 OR {  132}
   (( segid "    " and resid 16   and name HG1 ))
   (  segid "    " and resid 16   and name HE% )
 ASSI {  133}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.400     0.700     0.700 peak   133 spectrum    1 weight  0.10000E+01 volume  0.21381E-02 ppm1      4.397 ppm2      0.032 CV     1
 ASSI {  136}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.100     1.200     1.200 peak   136 spectrum    1 weight  0.10000E+01 volume  0.21105E-02 ppm1      6.056 ppm2      6.946 CV     1
 ASSI {  137}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.20829E-02 ppm1      2.508 ppm2      1.810 CV     1
 ASSI {  138}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.300     1.400     1.400 peak   138 spectrum    1 weight  0.10000E+01 volume  0.20554E-02 ppm1      5.034 ppm2      2.375 CV     1
 ASSI {  140}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.20278E-02 ppm1      1.970 ppm2      4.466 CV     1
 ASSI {  141}
   (( segid "    " and resid 19   and name HG1 ))
   (  segid "    " and resid 29   and name HE% )
      2.800     2.800     3.200 peak   141 spectrum    1 weight  0.10000E+01 volume  0.20002E-02 ppm1      1.971 ppm2      6.690 CV     1
 ASSI {  142}
   (( segid "    " and resid 10   and name HB  ))
   (  segid "    " and resid 10   and name HG1%)
      2.700     0.900     0.900 peak   142 spectrum    1 weight  0.10000E+01 volume  0.19726E-02 ppm1      2.098 ppm2      0.914 CV     1
 ASSI {  144}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.100     1.100 peak   144 spectrum    1 weight  0.10000E+01 volume  0.19312E-02 ppm1      2.055 ppm2      4.414 CV     1
 ASSI {  149}
   (  segid "    " and resid 32   and name HG2%)
   (  segid "    " and resid 30   and name HD% )
      2.800     1.000     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.18484E-02 ppm1      1.379 ppm2      6.927 CV     1
 ASSI {  152}
   (  segid "    " and resid 32   and name HG2%)
   (  segid "    " and resid 30   and name HE% )
      3.000     1.100     1.100 peak   152 spectrum    1 weight  0.10000E+01 volume  0.17381E-02 ppm1      1.380 ppm2      6.582 CV     1
 ASSI {  153}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      2.800     1.000     1.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.16691E-02 ppm1      3.613 ppm2      6.581 CV     1
 ASSI {  157}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 40   and name HG1 ))
      4.600     2.700     1.400 peak   157 spectrum    1 weight  0.10000E+01 volume  0.16277E-02 ppm1      4.211 ppm2      2.297 CV     1
 ASSI {  159}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HG1 ))
      3.000     1.100     1.100 peak   159 spectrum    1 weight  0.10000E+01 volume  0.16002E-02 ppm1      2.277 ppm2      0.668 CV     1
 ASSI {  163}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HE3 ))
      3.100     1.200     1.200 peak   163 spectrum    1 weight  0.10000E+01 volume  0.14898E-02 ppm1      5.184 ppm2      7.326 CV     1
 OR {  163}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  165}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   165 spectrum    1 weight  0.10000E+01 volume  0.14760E-02 ppm1      0.790 ppm2      2.950 CV     1
 ASSI {  166}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.000     3.000     3.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.14622E-02 ppm1      4.403 ppm2      2.675 CV     1
 ASSI {  167}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB  ))
      2.700     0.900     0.900 peak   167 spectrum    1 weight  0.10000E+01 volume  0.14622E-02 ppm1      4.898 ppm2      3.947 CV     1
 ASSI {  171}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 39   and name HE3 ))
      3.000     1.100     1.100 peak   171 spectrum    1 weight  0.11000E+01 volume  0.14208E-02 ppm1      2.390 ppm2      8.009 CV     1
 ASSI {  172}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HD2 ))
      2.900     1.100     1.100 peak   172 spectrum    1 weight  0.10000E+01 volume  0.14070E-02 ppm1      1.247 ppm2      6.696 CV     1
 ASSI {  173}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 35   and name HD1 ))
      2.900     1.100     1.100 peak   173 spectrum    1 weight  0.10000E+01 volume  0.13932E-02 ppm1      2.960 ppm2      1.585 CV     1
 ASSI {  175}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      3.100     1.200     1.200 peak   175 spectrum    1 weight  0.10000E+01 volume  0.13795E-02 ppm1      2.655 ppm2      5.291 CV     1
 ASSI {  179}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.12967E-02 ppm1      1.333 ppm2      5.163 CV     1
 ASSI {  180}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 38   and name HB  ))
      3.300     3.300     2.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.12870E-02 ppm1      2.314 ppm2      4.222 CV     1
 ASSI {  181}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 42   and name HG2 ))
      3.200     1.300     1.300 peak   181 spectrum    1 weight  0.10000E+01 volume  0.12801E-02 ppm1      2.556 ppm2      0.311 CV     1
 ASSI {  184}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.300     1.300     1.300 peak   184 spectrum    1 weight  0.10000E+01 volume  0.12456E-02 ppm1      5.036 ppm2      3.134 CV     1
 ASSI {  186}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      3.400     1.400     1.400 peak   186 spectrum    1 weight  0.10000E+01 volume  0.12263E-02 ppm1      1.081 ppm2      4.772 CV     1
 ASSI {  188}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 17   and name HE3 ))
      3.000     1.100     1.100 peak   188 spectrum    1 weight  0.10000E+01 volume  0.11780E-02 ppm1      2.663 ppm2      7.325 CV     1
 ASSI {  192}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 16   and name HA  ))
      3.900     1.900     1.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.11077E-02 ppm1      4.276 ppm2      4.531 CV     1
 ASSI {  196}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.900     1.000     1.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.10649E-02 ppm1      4.401 ppm2      2.240 CV     1
 ASSI {  197}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HA  ))
      2.800     1.000     1.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.10208E-02 ppm1      1.369 ppm2      2.963 CV     1
 ASSI {  201}
   (( segid "    " and resid 25   and name HA2 ))
   (( segid "    " and resid 26   and name HG2 ))
      3.700     1.700     1.700 peak   201 spectrum    1 weight  0.10000E+01 volume  0.94906E-03 ppm1      3.615 ppm2      1.589 CV     1
 ASSI {  204}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HA  ))
      4.000     2.000     2.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.88559E-03 ppm1      1.517 ppm2      5.163 CV     1
 ASSI {  205}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.300     1.400     1.400 peak   205 spectrum    1 weight  0.10000E+01 volume  0.82354E-03 ppm1      0.647 ppm2      1.156 CV     1
 ASSI {  207}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HB2 ))
      2.900     1.000     1.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.77938E-03 ppm1      0.323 ppm2      1.153 CV     1
 ASSI {  208}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      4.300     2.300     1.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.76972E-03 ppm1      0.865 ppm2      5.163 CV     1
 ASSI {  209}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.900     1.900     1.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.76559E-03 ppm1      2.273 ppm2      1.165 CV     1
 ASSI {  210}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak   210 spectrum    1 weight  0.10000E+01 volume  0.73249E-03 ppm1      2.348 ppm2      4.487 CV     1
 ASSI {  211}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HE3 ))
      2.900     1.100     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.72560E-03 ppm1      3.661 ppm2      8.007 CV     1
 ASSI {  212}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HD1 ))
      3.500     1.600     1.600 peak   212 spectrum    1 weight  0.10000E+01 volume  0.72422E-03 ppm1      3.614 ppm2      1.576 CV     1
 ASSI {  216}
   (( segid "    " and resid 20   and name HB1 ))
   (  segid "    " and resid 28   and name HE% )
      4.600     2.600     1.400 peak   216 spectrum    1 weight  0.10000E+01 volume  0.69798E-03 ppm1      2.587 ppm2      6.369 CV     1
 ASSI {  217}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.200     1.200 peak   217 spectrum    1 weight  0.10000E+01 volume  0.69522E-03 ppm1      2.083 ppm2      4.132 CV     1
 ASSI {  218}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 29   and name HD% )
      3.000     1.200     1.200 peak   218 spectrum    1 weight  0.10000E+01 volume  0.66489E-03 ppm1      5.035 ppm2      6.789 CV     1
 ASSI {  221}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 42   and name HG1 ))
      2.800     1.000     1.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.65247E-03 ppm1      2.556 ppm2      0.654 CV     1
 ASSI {  222}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 17   and name HZ3 ))
      3.300     1.300     1.300 peak   222 spectrum    1 weight  0.10000E+01 volume  0.64282E-03 ppm1      0.048 ppm2      6.985 CV     1
 OR {  222}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 17   and name HH2 ))
 ASSI {  223}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 27   and name HA  ))
      4.100     2.100     1.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.64144E-03 ppm1      1.334 ppm2      4.887 CV     1
 ASSI {  224}
   (( segid "    " and resid 42   and name HD1 ))
   (  segid "    " and resid 29   and name HD% )
      3.400     1.500     1.500 peak   224 spectrum    1 weight  0.11000E+01 volume  0.63455E-03 ppm1      2.556 ppm2      6.788 CV     1
 ASSI {  226}
   (( segid "    " and resid 42   and name HD2 ))
   (  segid "    " and resid 29   and name HD% )
      2.800     2.800     3.200 peak   226 spectrum    1 weight  0.11000E+01 volume  0.59452E-03 ppm1      2.279 ppm2      6.785 CV     1
 ASSI {  227}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 35   and name HA  ))
      4.000     2.000     2.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.58211E-03 ppm1      5.591 ppm2      3.650 CV     1
 ASSI {  229}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      4.600     2.600     1.400 peak   229 spectrum    1 weight  0.10000E+01 volume  0.56556E-03 ppm1      2.042 ppm2      6.579 CV     1
 ASSI {  231}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HE3 ))
      4.700     2.800     1.300 peak   231 spectrum    1 weight  0.10000E+01 volume  0.55453E-03 ppm1      3.142 ppm2      8.005 CV     1
 ASSI {  232}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HE1 ))
      3.600     1.600     1.600 peak   232 spectrum    1 weight  0.10000E+01 volume  0.55315E-03 ppm1      1.334 ppm2      2.879 CV     1
 ASSI {  235}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 39   and name HE3 ))
      4.500     2.500     1.500 peak   235 spectrum    1 weight  0.10000E+01 volume  0.52281E-03 ppm1      1.997 ppm2      8.009 CV     1
 ASSI {  236}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 17   and name HE3 ))
      3.800     1.800     1.800 peak   236 spectrum    1 weight  0.10000E+01 volume  0.51316E-03 ppm1      4.400 ppm2      7.327 CV     1
 OR {  236}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  237}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 26   and name HG2 ))
      4.000     2.000     2.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.50213E-03 ppm1      4.317 ppm2      1.566 CV     1
 ASSI {  238}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 29   and name HD% )
      3.900     1.900     1.900 peak   238 spectrum    1 weight  0.11000E+01 volume  0.47313E-03 ppm1      3.028 ppm2      6.806 CV     1
 ASSI {  239}
   (( segid "    " and resid 33   and name HG2 ))
   (  segid "    " and resid 34   and name HG2%)
      4.600     2.600     1.400 peak   239 spectrum    1 weight  0.10000E+01 volume  0.46900E-03 ppm1      2.132 ppm2      0.940 CV     1
 ASSI {  241}
   (( segid "    " and resid 33   and name HG1 ))
   (( segid "    " and resid 33   and name HA  ))
      3.800     1.800     1.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.45934E-03 ppm1      2.245 ppm2      4.258 CV     1
 ASSI {  242}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 28   and name HD% )
      4.900     3.100     1.100 peak   242 spectrum    1 weight  0.10000E+01 volume  0.44831E-03 ppm1      5.170 ppm2      6.751 CV     1
 ASSI {  243}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 42   and name HB1 ))
      4.400     2.500     1.600 peak   243 spectrum    1 weight  0.10000E+01 volume  0.44418E-03 ppm1      6.667 ppm2      1.288 CV     1
 ASSI {  244}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.900     1.900     1.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.42625E-03 ppm1      1.672 ppm2      4.302 CV     1
 ASSI {  246}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 39   and name HZ2 ))
      4.600     2.600     1.400 peak   246 spectrum    1 weight  0.10000E+01 volume  0.41522E-03 ppm1      4.438 ppm2      7.288 CV     1
 ASSI {  247}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 17   and name HZ3 ))
      4.400     2.400     1.600 peak   247 spectrum    1 weight  0.10000E+01 volume  0.41522E-03 ppm1      2.247 ppm2      6.985 CV     1
 OR {  247}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 17   and name HH2 ))
 ASSI {  254}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 39   and name HE3 ))
      3.300     1.400     1.400 peak   254 spectrum    1 weight  0.10000E+01 volume  0.37797E-03 ppm1      4.818 ppm2      7.998 CV     1
 ASSI {  256}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HG2 ))
      3.100     1.200     1.200 peak   256 spectrum    1 weight  0.10000E+01 volume  0.35313E-03 ppm1      2.274 ppm2      0.313 CV     1
 ASSI {  258}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 17   and name HE3 ))
      3.800     1.800     1.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.34624E-03 ppm1      5.592 ppm2      7.328 CV     1
 ASSI {  261}
   (( segid "    " and resid 35   and name HG1 ))
   (  segid "    " and resid 30   and name HE% )
      4.700     2.700     1.300 peak   261 spectrum    1 weight  0.10000E+01 volume  0.32693E-03 ppm1      1.190 ppm2      6.576 CV     1
 ASSI {  265}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 36   and name HB2 ))
      4.700     2.800     1.300 peak   265 spectrum    1 weight  0.10000E+01 volume  0.32279E-03 ppm1      0.057 ppm2      1.692 CV     1
 ASSI {  267}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HA  ))
      5.200     3.400     0.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.31865E-03 ppm1      2.774 ppm2      4.473 CV     1
 ASSI {  269}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HD1 ))
      4.700     2.700     1.300 peak   269 spectrum    1 weight  0.10000E+01 volume  0.30761E-03 ppm1      3.658 ppm2      7.344 CV     1
 ASSI {  271}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 19   and name HG1 ))
      4.300     2.400     1.700 peak   271 spectrum    1 weight  0.10000E+01 volume  0.29934E-03 ppm1      4.901 ppm2      1.955 CV     1
 ASSI {  272}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG2 ))
      4.600     2.700     1.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.29382E-03 ppm1      3.954 ppm2      0.319 CV     1
 ASSI {  273}
   (( segid "    " and resid 33   and name HG1 ))
   (  segid "    " and resid 34   and name HG2%)
      4.600     2.700     1.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.29244E-03 ppm1      2.262 ppm2      0.968 CV     1
 ASSI {  274}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 39   and name HE3 ))
      4.200     2.200     1.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.28554E-03 ppm1      2.774 ppm2      8.013 CV     1
 ASSI {  275}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 17   and name HA  ))
      4.500     2.500     1.500 peak   275 spectrum    1 weight  0.10000E+01 volume  0.28278E-03 ppm1      1.263 ppm2      5.192 CV     1
 ASSI {  279}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 39   and name HZ2 ))
      4.100     2.100     1.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.27727E-03 ppm1      2.391 ppm2      7.343 CV     1
 OR {  279}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 39   and name HD1 ))
 ASSI {  281}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HB2 ))
      5.100     3.300     0.900 peak   281 spectrum    1 weight  0.10000E+01 volume  0.26485E-03 ppm1      4.431 ppm2      1.730 CV     1
 ASSI {  282}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HD1 ))
      4.900     3.100     1.100 peak   282 spectrum    1 weight  0.10000E+01 volume  0.25382E-03 ppm1      1.999 ppm2      7.342 CV     1
 ASSI {  284}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 17   and name HE3 ))
      4.200     2.200     1.800 peak   284 spectrum    1 weight  0.10000E+01 volume  0.24830E-03 ppm1      0.648 ppm2      7.333 CV     1
 ASSI {  285}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HD1 ))
      4.500     2.500     1.500 peak   285 spectrum    1 weight  0.10000E+01 volume  0.23864E-03 ppm1      4.302 ppm2      7.313 CV     1
 ASSI {  286}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 42   and name HA  ))
      4.300     2.300     1.700 peak   286 spectrum    1 weight  0.10000E+01 volume  0.23174E-03 ppm1      2.555 ppm2      3.951 CV     1
 ASSI {  288}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 40   and name HG1 ))
      4.000     2.000     2.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.22761E-03 ppm1      0.797 ppm2      2.269 CV     1
 ASSI {  289}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG1 ))
      4.400     2.400     1.600 peak   289 spectrum    1 weight  0.10000E+01 volume  0.22623E-03 ppm1      2.981 ppm2      1.037 CV     1
 ASSI {  290}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 17   and name HE3 ))
      4.800     2.900     1.200 peak   290 spectrum    1 weight  0.10000E+01 volume  0.22623E-03 ppm1      2.264 ppm2      7.334 CV     1
 ASSI {  291}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 29   and name HD% )
      4.400     2.400     1.600 peak   291 spectrum    1 weight  0.11000E+01 volume  0.22071E-03 ppm1      3.143 ppm2      6.803 CV     1
 ASSI {  292}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 29   and name HA  ))
      4.500     2.500     1.500 peak   292 spectrum    1 weight  0.10000E+01 volume  0.21244E-03 ppm1      1.972 ppm2      5.292 CV     1
 ASSI {  294}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      4.700     2.800     1.300 peak   294 spectrum    1 weight  0.10000E+01 volume  0.19174E-03 ppm1      6.057 ppm2      1.073 CV     1
 ASSI {  295}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 27   and name HA  ))
      6.000     4.700     0.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.18622E-03 ppm1      1.562 ppm2      4.896 CV     1
 ASSI {  299}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 28   and name HE% )
      5.200     3.300     0.800 peak   299 spectrum    1 weight  0.10000E+01 volume  0.18071E-03 ppm1      2.390 ppm2      6.366 CV     1
 ASSI {  300}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 39   and name HZ2 ))
      4.300     2.300     1.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.17933E-03 ppm1      2.753 ppm2      7.310 CV     1
 ASSI {  305}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 17   and name HA  ))
      4.900     3.000     1.100 peak   305 spectrum    1 weight  0.10000E+01 volume  0.16415E-03 ppm1      1.381 ppm2      5.186 CV     1
 ASSI {  308}
   (( segid "    " and resid 42   and name HG1 ))
   (  segid "    " and resid 29   and name HD% )
      3.600     1.600     1.600 peak   308 spectrum    1 weight  0.11000E+01 volume  0.16277E-03 ppm1      0.649 ppm2      6.805 CV     1
 ASSI {  309}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 16   and name HA  ))
      5.600     3.900     0.400 peak   309 spectrum    1 weight  0.10000E+01 volume  0.16002E-03 ppm1      1.990 ppm2      4.540 CV     1
 ASSI {  313}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 17   and name HE3 ))
      3.500     1.500     1.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.15312E-03 ppm1      0.325 ppm2      7.343 CV     1
 OR {  313}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  318}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 20   and name HE1 ))
      5.100     3.200     0.900 peak   318 spectrum    1 weight  0.10000E+01 volume  0.13670E-03 ppm1      1.261 ppm2      8.386 CV     1
 ASSI {  320}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.600     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.13601E-03 ppm1      0.328 ppm2      2.995 CV     1
 ASSI {  321}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 27   and name HB  ))
      5.400     3.700     0.600 peak   321 spectrum    1 weight  0.10000E+01 volume  0.13573E-03 ppm1      1.964 ppm2      3.951 CV     1
 ASSI {  323}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 42   and name HG2 ))
      6.000     4.600     0.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.12746E-03 ppm1      2.656 ppm2      0.302 CV     1
 ASSI {  327}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      5.700     4.000     0.300 peak   327 spectrum    1 weight  0.10000E+01 volume  0.11049E-03 ppm1      4.399 ppm2      1.366 CV     1
 ASSI {  331}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 34   and name HG2%)
      5.300     3.500     0.700 peak   331 spectrum    1 weight  0.10000E+01 volume  0.91317E-04 ppm1      2.240 ppm2      0.969 CV     1
 ASSI {  332}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 20   and name HE1 ))
      5.700     4.000     0.300 peak   332 spectrum    1 weight  0.10000E+01 volume  0.87043E-04 ppm1      4.185 ppm2      8.385 CV     1
 ASSI {  335}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.700     2.700     1.300 peak   335 spectrum    1 weight  0.10000E+01 volume  0.72146E-04 ppm1      4.190 ppm2      2.664 CV     1
 ASSI {  337}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 40   and name HA  ))
      5.700     4.000     0.300 peak   337 spectrum    1 weight  0.10000E+01 volume  0.68281E-04 ppm1      3.671 ppm2      4.447 CV     1
 ASSI {  339}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 36   and name HB2 ))
      5.400     3.600     0.600 peak   339 spectrum    1 weight  0.10000E+01 volume  0.53936E-04 ppm1      4.209 ppm2      1.695 CV     1
 ASSI {  341}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 42   and name HA  ))
      6.000     5.500     0.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.45245E-04 ppm1      0.651 ppm2      3.948 CV     1
 ASSI {  343}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     5.500     0.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.43039E-04 ppm1      0.649 ppm2      3.017 CV     1
 ASSI {  344}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.38902E-04 ppm1      1.356 ppm2      3.854 CV     1
 ASSI {  345}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      5.900     4.300     0.100 peak   345 spectrum    1 weight  0.10000E+01 volume  0.38902E-04 ppm1      3.597 ppm2      6.924 CV     1
 ASSI {  347}
   (( segid "    " and resid 17   and name HH2 ))
   (( segid "    " and resid 36   and name HB1 ))
      5.800     4.200     0.200 peak   347 spectrum    1 weight  0.10000E+01 volume  0.31313E-04 ppm1      7.020 ppm2      2.072 CV     1
 ASSI {  352}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 20   and name HD2 ))
      6.000     6.000     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.15036E-04 ppm1      1.263 ppm2      6.687 CV     1
 ASSI {  360}
   (( segid "    " and resid 17   and name HH2 ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak   360 spectrum    1 weight  0.11000E+01 volume  0.21381E-04 ppm1      7.024 ppm2      0.036 CV     1
 ASSI {  362}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HA  ))
      5.700     4.100     0.300 peak   362 spectrum    1 weight  0.10000E+01 volume  0.39315E-04 ppm1      7.303 ppm2      5.171 CV     1
 ASSI {  363}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 42   and name HB2 ))
      5.000     3.200     1.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.40281E-04 ppm1      7.320 ppm2      1.173 CV     1
 ASSI {  364}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      5.500     3.800     0.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.46624E-04 ppm1      1.756 ppm2      4.298 CV     1
 ASSI {  366}
   (( segid "    " and resid 39   and name HD1 ))
   (( segid "    " and resid 26   and name HG1 ))
      5.000     3.200     1.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.58763E-04 ppm1      7.364 ppm2      1.655 CV     1
 ASSI {  369}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 42   and name HA  ))
      5.100     3.300     0.900 peak   369 spectrum    1 weight  0.10000E+01 volume  0.67454E-04 ppm1      7.484 ppm2      3.953 CV     1
 ASSI {  372}
   (( segid "    " and resid 39   and name HZ2 ))
   (( segid "    " and resid 26   and name HG1 ))
      4.900     3.000     1.100 peak   372 spectrum    1 weight  0.10000E+01 volume  0.78627E-04 ppm1      7.314 ppm2      1.667 CV     1
 ASSI {  377}
   (( segid "    " and resid 39   and name HD1 ))
   (( segid "    " and resid 38   and name HA  ))
      6.000     4.500     0.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.93390E-04 ppm1      7.361 ppm2      4.783 CV     1
 ASSI {  382}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 18   and name HG2%)
      4.800     2.900     1.200 peak   382 spectrum    1 weight  0.10000E+01 volume  0.10732E-03 ppm1      2.668 ppm2      1.263 CV     1
 ASSI {  386}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 42   and name HA  ))
      5.200     3.400     0.800 peak   386 spectrum    1 weight  0.10000E+01 volume  0.11656E-03 ppm1      7.303 ppm2      3.947 CV     1
 ASSI {  389}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 19   and name HA  ))
      4.600     2.600     1.400 peak   389 spectrum    1 weight  0.10000E+01 volume  0.13463E-03 ppm1      6.698 ppm2      4.462 CV     1
 ASSI {  392}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 18   and name HB  ))
      4.600     2.700     1.400 peak   392 spectrum    1 weight  0.10000E+01 volume  0.14346E-03 ppm1      6.695 ppm2      4.172 CV     1
 ASSI {  393}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 31   and name HB2 ))
      4.300     2.300     1.700 peak   393 spectrum    1 weight  0.11000E+01 volume  0.14484E-03 ppm1      7.483 ppm2      0.035 CV     1
 ASSI {  396}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 28   and name HA  ))
      4.400     2.500     1.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.16139E-03 ppm1      6.663 ppm2      4.816 CV     1
 ASSI {  402}
   (( segid "    " and resid 17   and name HH2 ))
   (( segid "    " and resid 36   and name HB2 ))
      5.200     3.300     0.800 peak   402 spectrum    1 weight  0.10000E+01 volume  0.21105E-03 ppm1      7.025 ppm2      1.697 CV     1
 ASSI {  404}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.800     1.800     1.800 peak   404 spectrum    1 weight  0.10000E+01 volume  0.22761E-03 ppm1      1.842 ppm2      4.297 CV     1
 ASSI {  406}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 31   and name HB2 ))
      3.600     1.600     1.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.23451E-03 ppm1      7.330 ppm2      0.032 CV     1
 ASSI {  412}
   (( segid "    " and resid 17   and name HE3 ))
   (  segid "    " and resid 38   and name HG2%)
      5.000     3.100     1.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.27313E-03 ppm1      7.333 ppm2      1.072 CV     1
 ASSI {  415}
   (( segid "    " and resid 39   and name HZ2 ))
   (( segid "    " and resid 24   and name HB2 ))
      3.700     1.700     1.700 peak   415 spectrum    1 weight  0.10000E+01 volume  0.34348E-03 ppm1      7.313 ppm2      2.720 CV     1
 ASSI {  416}
   (( segid "    " and resid 17   and name HZ2 ))
   (  segid "    " and resid 38   and name HG2%)
      5.300     3.500     0.700 peak   416 spectrum    1 weight  0.10000E+01 volume  0.34486E-03 ppm1      7.482 ppm2      1.126 CV     1
 ASSI {  417}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 19   and name HB1 ))
      4.300     2.400     1.700 peak   417 spectrum    1 weight  0.10000E+01 volume  0.34900E-03 ppm1      6.793 ppm2      1.823 CV     1
 ASSI {  419}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 40   and name HA  ))
      3.700     1.700     1.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.39591E-03 ppm1      6.664 ppm2      4.458 CV     1
 ASSI {  420}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HB1 ))
      4.700     2.700     1.300 peak   420 spectrum    1 weight  0.10000E+01 volume  0.39867E-03 ppm1      6.578 ppm2      2.663 CV     1
 ASSI {  421}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 28   and name HE% )
      4.000     2.000     2.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.40419E-03 ppm1      2.670 ppm2      6.368 CV     1
 ASSI {  422}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 31   and name HA  ))
      3.800     1.800     1.800 peak   422 spectrum    1 weight  0.10000E+01 volume  0.40832E-03 ppm1      7.330 ppm2      4.412 CV     1
 ASSI {  425}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
      4.800     2.800     1.200 peak   425 spectrum    1 weight  0.10000E+01 volume  0.44418E-03 ppm1      1.627 ppm2      4.878 CV     1
 ASSI {  428}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG1 ))
      3.700     1.700     1.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.51454E-03 ppm1      4.302 ppm2      1.417 CV     1
 ASSI {  431}
   (( segid "    " and resid 39   and name HH2 ))
   (( segid "    " and resid 22   and name HB1 ))
      3.700     1.700     1.700 peak   431 spectrum    1 weight  0.10000E+01 volume  0.60283E-03 ppm1      7.103 ppm2      4.419 CV     1
 ASSI {  433}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 32   and name HB  ))
      3.900     1.900     1.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.65523E-03 ppm1      6.583 ppm2      4.281 CV     1
 ASSI {  437}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.300     3.300     2.700 peak   437 spectrum    1 weight  0.10000E+01 volume  0.90214E-03 ppm1      3.709 ppm2      6.922 CV     1
 ASSI {  439}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 41   and name HA  ))
      3.600     1.600     1.600 peak   439 spectrum    1 weight  0.10000E+01 volume  0.94079E-03 ppm1      6.664 ppm2      2.952 CV     1
 ASSI {  440}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 28   and name HA  ))
      3.200     3.200     2.800 peak   440 spectrum    1 weight  0.10000E+01 volume  0.95458E-03 ppm1      6.782 ppm2      4.817 CV     1
 ASSI {  441}
   (( segid "    " and resid 17   and name HH2 ))
   (  segid "    " and resid 38   and name HG2%)
      4.200     2.200     1.800 peak   441 spectrum    1 weight  0.10000E+01 volume  0.96285E-03 ppm1      7.023 ppm2      1.071 CV     1
 ASSI {  448}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 30   and name HB1 ))
      2.900     1.000     1.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.15588E-02 ppm1      6.697 ppm2      2.650 CV     1
 ASSI {  451}
   (( segid "    " and resid 39   and name HZ2 ))
   (( segid "    " and resid 39   and name HH2 ))
      2.900     1.000     1.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.16002E-02 ppm1      7.318 ppm2      7.081 CV     1
 ASSI {  452}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.200     1.200 peak   452 spectrum    1 weight  0.10000E+01 volume  0.16277E-02 ppm1      7.329 ppm2      5.196 CV     1
 ASSI {  456}
   (( segid "    " and resid 39   and name HE3 ))
   (( segid "    " and resid 39   and name HZ3 ))
      2.600     0.900     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.19588E-02 ppm1      8.007 ppm2      6.947 CV     1
 ASSI {  459}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 17   and name HB2 ))
      3.500     1.500     1.500 peak   459 spectrum    1 weight  0.10000E+01 volume  0.30623E-02 ppm1      7.330 ppm2      3.032 CV     1
 ASSI {  460}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 17   and name HZ3 ))
      2.300     0.700     0.700 peak   460 spectrum    1 weight  0.10000E+01 volume  0.31038E-02 ppm1      7.333 ppm2      6.956 CV     1
 ASSI {  463}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 29   and name HB1 ))
      2.200     0.600     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.36003E-02 ppm1      7.330 ppm2      2.845 CV     1
 ASSI {  465}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 29   and name HB2 ))
      2.300     0.700     0.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.39315E-02 ppm1      6.803 ppm2      2.658 CV     1
 ASSI {  466}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 17   and name HH2 ))
      2.500     0.800     0.800 peak   466 spectrum    1 weight  0.10000E+01 volume  0.40694E-02 ppm1      7.482 ppm2      7.017 CV     1
 ASSI {  471}
   (  segid "    " and resid 28   and name HE% )
   (  segid "    " and resid 28   and name HD% )
      2.100     0.500     0.500 peak   471 spectrum    1 weight  0.10000E+01 volume  0.97389E-02 ppm1      6.368 ppm2      6.754 CV     1
 ASSI {    1}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.000     2.000     4.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.55005E-01 ppm1      8.331 ppm2      4.342 CV     1
 ASSI {    3}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 8    and name HB% )
      1.600     0.300     0.600 peak     3 spectrum    1 weight  0.10000E+01 volume  0.20600E-01 ppm1      8.328 ppm2      1.383 CV     1
 ASSI {    4}
   (( segid "    " and resid 36   and name HE22))
   (( segid "    " and resid 36   and name HE21))
      1.400     0.200     0.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.15855E-01 ppm1      6.976 ppm2      7.580 CV     1
 ASSI {    7}
   (( segid "    " and resid 12    and name HN  ))
   (( segid "    " and resid 11   and name HA1 ))
      2.600     2.600     3.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.94910E-02 ppm1      8.223 ppm2      3.954 CV     1
 ASSI {   11}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.300     0.700     0.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.80891E-02 ppm1      8.685 ppm2      4.487 CV     1
 ASSI {   12}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.000     0.500     0.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.78734E-02 ppm1      8.160 ppm2      2.069 CV     1
 ASSI {   14}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.100     0.600     0.600 peak    14 spectrum    1 weight  0.10000E+01 volume  0.76578E-02 ppm1      8.234 ppm2      4.328 CV     1
 ASSI {   15}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      1.900     0.500     0.500 peak    15 spectrum    1 weight  0.10000E+01 volume  0.73341E-02 ppm1      8.357 ppm2      4.418 CV     1
 ASSI {   16}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      1.900     0.400     0.400 peak    16 spectrum    1 weight  0.10000E+01 volume  0.71185E-02 ppm1      8.691 ppm2      4.868 CV     1
 ASSI {   19}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.100     0.600     0.600 peak    19 spectrum    1 weight  0.10000E+01 volume  0.59858E-02 ppm1      8.229 ppm2      4.480 CV     1
 ASSI {   20}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.100     0.500     0.500 peak    20 spectrum    1 weight  0.10000E+01 volume  0.59858E-02 ppm1      7.968 ppm2      3.639 CV     1
 ASSI {   21}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.600     0.600 peak    21 spectrum    1 weight  0.10000E+01 volume  0.59318E-02 ppm1      8.769 ppm2      4.501 CV     1
 ASSI {   22}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HD21))
      2.200     0.600     0.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.57702E-02 ppm1      8.159 ppm2      6.627 CV     1
 ASSI {   25}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.600     0.800     0.800 peak    25 spectrum    1 weight  0.10000E+01 volume  0.55005E-02 ppm1      8.404 ppm2      4.349 CV     1
 ASSI {   27}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.200     0.600     0.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.54465E-02 ppm1      8.325 ppm2      4.507 CV     1
 ASSI {   28}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.300     0.600     0.600 peak    28 spectrum    1 weight  0.10000E+01 volume  0.52201E-02 ppm1      8.678 ppm2      4.790 CV     1
 ASSI {   30}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.000     2.000     4.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.48535E-02 ppm1      8.116 ppm2      1.835 CV     1
 ASSI {   31}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.300     1.300     1.300 peak    31 spectrum    1 weight  0.10000E+01 volume  0.47888E-02 ppm1      8.980 ppm2      2.428 CV     1
 ASSI {   33}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 39   and name HD1 ))
      2.600     0.900     0.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.47241E-02 ppm1     10.085 ppm2      7.360 CV     1
 ASSI {   35}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 17   and name HD1 ))
      2.500     0.800     0.800 peak    35 spectrum    1 weight  0.10000E+01 volume  0.45946E-02 ppm1     10.334 ppm2      7.338 CV     1
 ASSI {   39}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.000     0.500     0.500 peak    39 spectrum    1 weight  0.10000E+01 volume  0.41901E-02 ppm1      8.205 ppm2      5.560 CV     1
 ASSI {   41}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.900     1.000     1.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.37264E-02 ppm1      7.749 ppm2      1.999 CV     1
 ASSI {   42}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.300     0.600     0.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.36886E-02 ppm1      7.775 ppm2      2.084 CV     1
 ASSI {   43}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.300     0.600     0.600 peak    43 spectrum    1 weight  0.10000E+01 volume  0.36616E-02 ppm1      9.423 ppm2      5.203 CV     1
 ASSI {   44}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
      2.500     0.800     0.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.35915E-02 ppm1      8.344 ppm2      3.642 CV     1
 ASSI {   45}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.500     3.500     2.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.35322E-02 ppm1      8.980 ppm2      2.711 CV     1
 ASSI {   47}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.400     0.700     0.700 peak    47 spectrum    1 weight  0.10000E+01 volume  0.34244E-02 ppm1      8.131 ppm2      4.489 CV     1
 ASSI {   48}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB  ))
      2.600     0.800     0.800 peak    48 spectrum    1 weight  0.10000E+01 volume  0.34190E-02 ppm1      8.769 ppm2      3.997 CV     1
 ASSI {   51}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.300     1.400     1.400 peak    51 spectrum    1 weight  0.10000E+01 volume  0.33381E-02 ppm1      8.325 ppm2      1.649 CV     1
 ASSI {   53}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      3.000     1.100     1.100 peak    53 spectrum    1 weight  0.10000E+01 volume  0.32572E-02 ppm1      8.407 ppm2      1.398 CV     1
 ASSI {   54}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      1.700     0.400     0.500 peak    54 spectrum    1 weight  0.10000E+01 volume  0.32302E-02 ppm1      7.054 ppm2      2.300 CV     1
 ASSI {   56}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     0.800     0.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.31331E-02 ppm1      8.159 ppm2      7.779 CV     1
 ASSI {   58}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.700     0.900     0.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.29174E-02 ppm1      8.244 ppm2      1.799 CV     1
 ASSI {   60}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.200     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.27718E-02 ppm1      9.260 ppm2      6.014 CV     1
 ASSI {   61}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.400     0.700     0.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.27503E-02 ppm1      8.980 ppm2      4.845 CV     1
 ASSI {   62}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 29   and name HD% )
      2.400     2.400     3.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.27503E-02 ppm1      8.980 ppm2      6.793 CV     1
 ASSI {   64}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.700     0.900     0.900 peak    64 spectrum    1 weight  0.10000E+01 volume  0.26748E-02 ppm1      8.492 ppm2      4.773 CV     1
 ASSI {   65}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      2.700     0.900     0.900 peak    65 spectrum    1 weight  0.10000E+01 volume  0.26263E-02 ppm1      8.357 ppm2      1.384 CV     1
 ASSI {   66}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.700     0.900     0.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.26155E-02 ppm1      7.851 ppm2      8.353 CV     1
 ASSI {   68}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      3.600     1.600     1.600 peak    68 spectrum    1 weight  0.10000E+01 volume  0.25400E-02 ppm1      7.775 ppm2      0.974 CV     1
 ASSI {   70}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.300     1.300 peak    70 spectrum    1 weight  0.10000E+01 volume  0.24591E-02 ppm1      8.493 ppm2      8.115 CV     1
 ASSI {   71}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      3.600     1.600     1.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.24267E-02 ppm1      8.244 ppm2      1.399 CV     1
 ASSI {   73}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.700     0.900     0.900 peak    73 spectrum    1 weight  0.10000E+01 volume  0.23081E-02 ppm1      8.205 ppm2      2.295 CV     1
 ASSI {   74}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.22649E-02 ppm1      7.751 ppm2      4.475 CV     1
 ASSI {   76}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG2 ))
      2.700     0.900     0.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.22110E-02 ppm1      7.749 ppm2      1.626 CV     1
 OR {   76}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG1 ))
 ASSI {   78}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.100     1.200     1.200 peak    78 spectrum    1 weight  0.10000E+01 volume  0.21085E-02 ppm1      7.855 ppm2      4.540 CV     1
 ASSI {   80}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.500     1.500     1.500 peak    80 spectrum    1 weight  0.10000E+01 volume  0.20654E-02 ppm1      8.531 ppm2      2.080 CV     1
 ASSI {   83}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 27   and name HG2%)
      3.500     1.500     1.500 peak    83 spectrum    1 weight  0.10000E+01 volume  0.20061E-02 ppm1      8.690 ppm2      0.898 CV     1
 ASSI {   84}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak    84 spectrum    1 weight  0.10000E+01 volume  0.19845E-02 ppm1      7.749 ppm2      8.344 CV     1
 ASSI {   85}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.000     1.100     1.100 peak    85 spectrum    1 weight  0.10000E+01 volume  0.19791E-02 ppm1      8.492 ppm2      3.151 CV     1
 ASSI {   86}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.19360E-02 ppm1      8.680 ppm2      4.518 CV     1
 ASSI {   87}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.900     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.18766E-02 ppm1      9.407 ppm2      5.574 CV     1
 ASSI {   88}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
      4.100     2.100     1.900 peak    88 spectrum    1 weight  0.10000E+01 volume  0.18389E-02 ppm1      8.530 ppm2      2.311 CV     1
 ASSI {   89}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      2.700     0.900     0.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.18281E-02 ppm1      9.260 ppm2      1.091 CV     1
 ASSI {   90}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.800     1.800     1.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.18227E-02 ppm1      8.769 ppm2      1.999 CV     1
 ASSI {   93}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.700     1.700     1.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.17958E-02 ppm1      7.851 ppm2      2.966 CV     1
 ASSI {   94}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
      3.100     1.200     1.200 peak    94 spectrum    1 weight  0.10000E+01 volume  0.17742E-02 ppm1      8.325 ppm2      1.352 CV     1
 ASSI {   95}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HG1 ))
      3.100     1.200     1.200 peak    95 spectrum    1 weight  0.10000E+01 volume  0.17688E-02 ppm1      7.968 ppm2      1.205 CV     1
 ASSI {   96}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      3.500     1.600     1.600 peak    96 spectrum    1 weight  0.10000E+01 volume  0.17634E-02 ppm1      8.677 ppm2      4.204 CV     1
 ASSI {   97}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HD1 ))
      4.100     2.100     1.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.17580E-02 ppm1      7.851 ppm2      2.770 CV     1
 ASSI {   99}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.800     1.000     1.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.17310E-02 ppm1      7.055 ppm2      1.718 CV     1
 ASSI {  101}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
      3.800     3.800     2.200 peak   101 spectrum    1 weight  0.10000E+01 volume  0.16232E-02 ppm1      8.588 ppm2      1.355 CV     1
 ASSI {  106}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.000     1.100     1.100 peak   106 spectrum    1 weight  0.10000E+01 volume  0.15585E-02 ppm1      9.379 ppm2      1.647 CV     1
 ASSI {  108}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.200     1.200     1.200 peak   108 spectrum    1 weight  0.10000E+01 volume  0.15207E-02 ppm1      8.115 ppm2      1.091 CV     1
 ASSI {  109}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 10   and name HG1%)
      4.200     2.200     1.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.14938E-02 ppm1      8.229 ppm2      0.969 CV     1
 ASSI {  110}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.300     1.300     1.300 peak   110 spectrum    1 weight  0.10000E+01 volume  0.14884E-02 ppm1      8.343 ppm2      4.666 CV     1
 ASSI {  111}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.800     1.000     1.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.14560E-02 ppm1      8.229 ppm2      3.038 CV     1
 ASSI {  113}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.700     1.700     1.700 peak   113 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      8.687 ppm2      9.352 CV     1
 ASSI {  114}
   (( segid "    " and resid 36   and name HE21))
   (( segid "    " and resid 36   and name HG1 ))
      3.200     1.300     1.300 peak   114 spectrum    1 weight  0.10000E+01 volume  0.13590E-02 ppm1      7.581 ppm2      2.326 CV     1
 ASSI {  116}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.200     2.200     1.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.13320E-02 ppm1      8.229 ppm2      1.873 CV     1
 ASSI {  117}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak   117 spectrum    1 weight  0.10000E+01 volume  0.12889E-02 ppm1      8.358 ppm2      3.735 CV     1
 ASSI {  118}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.900     1.000     1.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.12781E-02 ppm1      8.771 ppm2      4.861 CV     1
 ASSI {  121}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.000     1.100     1.100 peak   121 spectrum    1 weight  0.10000E+01 volume  0.12295E-02 ppm1      9.379 ppm2      4.129 CV     1
 ASSI {  124}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.11702E-02 ppm1      8.327 ppm2      5.123 CV     1
 ASSI {  132}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 42   and name HD2 ))
      4.200     2.200     1.800 peak   132 spectrum    1 weight  0.10000E+01 volume  0.10462E-02 ppm1      8.117 ppm2      2.332 CV     1
 ASSI {  133}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      4.000     2.000     2.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.10408E-02 ppm1      8.115 ppm2      4.798 CV     1
 ASSI {  134}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.600     1.600     1.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.10408E-02 ppm1      8.492 ppm2      3.646 CV     1
 ASSI {  135}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.800     1.000     1.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.10354E-02 ppm1      8.117 ppm2      5.060 CV     1
 ASSI {  136}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.200     1.300     1.300 peak   136 spectrum    1 weight  0.10000E+01 volume  0.10300E-02 ppm1      8.329 ppm2      3.873 CV     1
 ASSI {  139}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.000     1.100     1.100 peak   139 spectrum    1 weight  0.10000E+01 volume  0.10030E-02 ppm1      8.495 ppm2      5.029 CV     1
 ASSI {  140}
   (( segid "    " and resid 31   and name HD21))
   (( segid "    " and resid 16   and name HB1 ))
      3.800     1.800     1.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.98147E-03 ppm1      6.628 ppm2      2.009 CV     1
 OR {  140}
   (( segid "    " and resid 31   and name HD21))
   (  segid "    " and resid 16   and name HE% )
 ASSI {  144}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB  ))
      3.000     1.200     1.200 peak   144 spectrum    1 weight  0.10000E+01 volume  0.93834E-03 ppm1      8.204 ppm2      2.103 CV     1
 ASSI {  146}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 17   and name HZ3 ))
      3.400     1.500     1.500 peak   146 spectrum    1 weight  0.10000E+01 volume  0.90597E-03 ppm1      9.260 ppm2      6.923 CV     1
 ASSI {  147}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      4.300     2.300     1.700 peak   147 spectrum    1 weight  0.10000E+01 volume  0.90057E-03 ppm1      8.678 ppm2      1.270 CV     1
 ASSI {  148}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HG1%)
      3.500     1.500     1.500 peak   148 spectrum    1 weight  0.10000E+01 volume  0.89517E-03 ppm1      8.203 ppm2      0.938 CV     1
 ASSI {  150}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     1.100     1.100 peak   150 spectrum    1 weight  0.10000E+01 volume  0.87901E-03 ppm1      8.535 ppm2      6.014 CV     1
 ASSI {  151}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.100     1.100 peak   151 spectrum    1 weight  0.10000E+01 volume  0.87360E-03 ppm1      7.054 ppm2      3.638 CV     1
 ASSI {  152}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 27   and name HG2%)
      4.300     2.300     1.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.86820E-03 ppm1      8.588 ppm2      0.899 CV     1
 ASSI {  155}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.100     1.200     1.200 peak   155 spectrum    1 weight  0.10000E+01 volume  0.84128E-03 ppm1      8.690 ppm2      2.427 CV     1
 ASSI {  156}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.100     2.100     1.900 peak   156 spectrum    1 weight  0.10000E+01 volume  0.83047E-03 ppm1      9.423 ppm2      4.426 CV     1
 ASSI {  157}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.700     1.700     1.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.83047E-03 ppm1      9.424 ppm2      1.287 CV     1
 ASSI {  158}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.200     1.300     1.300 peak   158 spectrum    1 weight  0.10000E+01 volume  0.82507E-03 ppm1      9.433 ppm2      4.793 CV     1
 ASSI {  161}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      3.500     1.500     1.500 peak   161 spectrum    1 weight  0.10000E+01 volume  0.78734E-03 ppm1      9.424 ppm2      4.229 CV     1
 ASSI {  162}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HG1 ))
      4.400     2.500     1.600 peak   162 spectrum    1 weight  0.10000E+01 volume  0.78734E-03 ppm1      8.343 ppm2      1.639 CV     1
 ASSI {  163}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 28   and name HD% )
      3.100     1.200     1.200 peak   163 spectrum    1 weight  0.10000E+01 volume  0.78194E-03 ppm1      8.588 ppm2      6.744 CV     1
 ASSI {  164}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.100     1.200     1.200 peak   164 spectrum    1 weight  0.10000E+01 volume  0.77654E-03 ppm1      8.984 ppm2      5.271 CV     1
 ASSI {  166}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.800     1.800     1.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.73881E-03 ppm1      8.588 ppm2      4.866 CV     1
 ASSI {  168}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.600     1.600     1.600 peak   168 spectrum    1 weight  0.10000E+01 volume  0.73341E-03 ppm1      7.853 ppm2      1.211 CV     1
 ASSI {  171}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.000     2.000     2.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.70645E-03 ppm1      8.357 ppm2      7.787 CV     1
 ASSI {  172}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.200     1.300     1.300 peak   172 spectrum    1 weight  0.10000E+01 volume  0.70104E-03 ppm1      9.260 ppm2      2.702 CV     1
 ASSI {  174}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      4.800     2.800     1.200 peak   174 spectrum    1 weight  0.10000E+01 volume  0.69028E-03 ppm1      9.260 ppm2      2.413 CV     1
 ASSI {  175}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      4.400     2.400     1.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.68488E-03 ppm1      8.492 ppm2      4.249 CV     1
 ASSI {  178}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.400     2.400     1.600 peak   178 spectrum    1 weight  0.11000E+01 volume  0.66868E-03 ppm1      8.587 ppm2      5.272 CV     1
 ASSI {  179}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.400     2.400     1.600 peak   179 spectrum    1 weight  0.10000E+01 volume  0.66868E-03 ppm1      8.205 ppm2      2.689 CV     1
 ASSI {  181}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.100     1.100 peak   181 spectrum    1 weight  0.10000E+01 volume  0.66868E-03 ppm1      8.212 ppm2      4.150 CV     1
 ASSI {  183}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.800     2.900     1.200 peak   183 spectrum    1 weight  0.10000E+01 volume  0.65251E-03 ppm1      7.975 ppm2      8.534 CV     1
 ASSI {  185}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HD1 ))
      3.400     1.500     1.500 peak   185 spectrum    1 weight  0.10000E+01 volume  0.64171E-03 ppm1      8.493 ppm2      7.373 CV     1
 ASSI {  187}
   (( segid "    " and resid 36   and name HE22))
   (( segid "    " and resid 36   and name HG1 ))
      4.100     2.100     1.900 peak   187 spectrum    1 weight  0.10000E+01 volume  0.63095E-03 ppm1      6.976 ppm2      2.327 CV     1
 ASSI {  188}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HG2%)
      3.300     1.400     1.400 peak   188 spectrum    1 weight  0.10000E+01 volume  0.62015E-03 ppm1      8.770 ppm2      0.898 CV     1
 ASSI {  190}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.400     1.400     1.400 peak   190 spectrum    1 weight  0.10000E+01 volume  0.60938E-03 ppm1      7.749 ppm2      9.377 CV     1
 ASSI {  191}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      4.400     2.400     1.600 peak   191 spectrum    1 weight  0.10000E+01 volume  0.60938E-03 ppm1      8.692 ppm2      5.145 CV     1
 ASSI {  194}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HD2 ))
      4.700     2.700     1.300 peak   194 spectrum    1 weight  0.10000E+01 volume  0.58782E-03 ppm1      8.229 ppm2      2.332 CV     1
 ASSI {  195}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HD1 ))
      5.100     3.300     0.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.58242E-03 ppm1      7.749 ppm2      2.807 CV     1
 ASSI {  196}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.900     1.900     1.900 peak   196 spectrum    1 weight  0.10000E+01 volume  0.57702E-03 ppm1      8.980 ppm2      1.080 CV     1
 ASSI {  197}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.700     1.700     1.700 peak   197 spectrum    1 weight  0.10000E+01 volume  0.57161E-03 ppm1     10.333 ppm2      1.222 CV     1
 OR {  197}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  198}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      4.500     2.500     1.500 peak   198 spectrum    1 weight  0.10000E+01 volume  0.56085E-03 ppm1      8.343 ppm2      1.977 CV     1
 ASSI {  199}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.500     2.500     1.500 peak   199 spectrum    1 weight  0.10000E+01 volume  0.55545E-03 ppm1      8.398 ppm2      1.786 CV     1
 ASSI {  202}
   (( segid "    " and resid 31   and name HD21))
   (  segid "    " and resid 34   and name HG2%)
      4.900     3.000     1.100 peak   202 spectrum    1 weight  0.10000E+01 volume  0.53228E-03 ppm1      6.627 ppm2      0.974 CV     1
 ASSI {  205}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HD1 ))
      4.300     2.300     1.700 peak   205 spectrum    1 weight  0.10000E+01 volume  0.51014E-03 ppm1      7.968 ppm2      1.627 CV     1
 ASSI {  206}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      5.400     3.600     0.600 peak   206 spectrum    1 weight  0.10000E+01 volume  0.49937E-03 ppm1      8.158 ppm2      0.986 CV     1
 ASSI {  208}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.500     1.500     1.500 peak   208 spectrum    1 weight  0.10000E+01 volume  0.49183E-03 ppm1      9.246 ppm2      4.781 CV     1
 ASSI {  209}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.800     1.800     1.800 peak   209 spectrum    1 weight  0.11000E+01 volume  0.46647E-03 ppm1      8.357 ppm2      5.200 CV     1
 ASSI {  210}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.900     1.900     1.900 peak   210 spectrum    1 weight  0.10000E+01 volume  0.46379E-03 ppm1      8.531 ppm2      7.015 CV     1
 ASSI {  211}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.900     1.900     1.900 peak   211 spectrum    1 weight  0.11000E+01 volume  0.46214E-03 ppm1      8.205 ppm2      6.011 CV     1
 ASSI {  213}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      4.900     3.000     1.100 peak   213 spectrum    1 weight  0.10000E+01 volume  0.43303E-03 ppm1      8.160 ppm2      1.372 CV     1
 ASSI {  214}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.900     1.900     1.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.42928E-03 ppm1      8.492 ppm2      1.088 CV     1
 ASSI {  215}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      4.300     2.300     1.700 peak   215 spectrum    1 weight  0.10000E+01 volume  0.42870E-03 ppm1      8.491 ppm2      2.367 CV     1
 ASSI {  216}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.400     1.400     1.400 peak   216 spectrum    1 weight  0.11000E+01 volume  0.41847E-03 ppm1      9.259 ppm2      8.933 CV     1
 ASSI {  217}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      4.500     2.500     1.500 peak   217 spectrum    1 weight  0.10000E+01 volume  0.40013E-03 ppm1      8.344 ppm2      2.919 CV     1
 ASSI {  218}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 17   and name HE3 ))
      4.300     2.300     1.700 peak   218 spectrum    1 weight  0.10000E+01 volume  0.38772E-03 ppm1      9.403 ppm2      7.347 CV     1
 ASSI {  219}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HG1%)
      4.700     2.700     1.300 peak   219 spectrum    1 weight  0.10000E+01 volume  0.38288E-03 ppm1      8.476 ppm2      0.936 CV     1
 ASSI {  220}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 23   and name HG1 ))
      5.300     3.500     0.700 peak   220 spectrum    1 weight  0.10000E+01 volume  0.38234E-03 ppm1     10.086 ppm2      1.833 CV     1
 ASSI {  222}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      4.100     2.100     1.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.37587E-03 ppm1      8.202 ppm2      3.856 CV     1
 ASSI {  223}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 19   and name HG1 ))
      4.100     2.100     1.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.37479E-03 ppm1      8.686 ppm2      1.998 CV     1
 ASSI {  224}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HE3 ))
      4.800     2.800     1.200 peak   224 spectrum    1 weight  0.10000E+01 volume  0.36940E-03 ppm1      9.424 ppm2      7.339 CV     1
 OR {  224}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  225}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 4    and name HE  ))
      4.900     3.000     1.100 peak   225 spectrum    1 weight  0.10000E+01 volume  0.36940E-03 ppm1      7.751 ppm2      7.146 CV     1
 ASSI {  228}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      5.200     3.400     0.800 peak   228 spectrum    1 weight  0.10000E+01 volume  0.35376E-03 ppm1      7.776 ppm2      7.040 CV     1
 ASSI {  230}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB  ))
      4.900     3.000     1.100 peak   230 spectrum    1 weight  0.10000E+01 volume  0.34999E-03 ppm1      8.689 ppm2      4.006 CV     1
 ASSI {  233}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.800     1.800     1.800 peak   233 spectrum    1 weight  0.11000E+01 volume  0.33381E-03 ppm1      9.402 ppm2      4.501 CV     1
 ASSI {  235}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 38   and name HA  ))
      4.600     2.700     1.400 peak   235 spectrum    1 weight  0.10000E+01 volume  0.31979E-03 ppm1     10.084 ppm2      4.775 CV     1
 ASSI {  236}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 41   and name HE1 ))
      4.700     2.700     1.300 peak   236 spectrum    1 weight  0.10000E+01 volume  0.30792E-03 ppm1      8.186 ppm2      2.834 CV     1
 ASSI {  237}
   (( segid "    " and resid 36   and name HE21))
   (( segid "    " and resid 38   and name HB  ))
      4.800     2.800     1.200 peak   237 spectrum    1 weight  0.10000E+01 volume  0.30684E-03 ppm1      7.581 ppm2      4.235 CV     1
 ASSI {  239}
   (( segid "    " and resid 36   and name HE22))
   (( segid "    " and resid 38   and name HA  ))
      5.300     3.500     0.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.30253E-03 ppm1      6.987 ppm2      4.780 CV     1
 ASSI {  240}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB  ))
      5.100     3.300     0.900 peak   240 spectrum    1 weight  0.10000E+01 volume  0.29929E-03 ppm1      8.477 ppm2      2.112 CV     1
 ASSI {  242}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.700     2.800     1.300 peak   242 spectrum    1 weight  0.10000E+01 volume  0.29228E-03 ppm1      8.536 ppm2      9.287 CV     1
 ASSI {  246}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      5.200     3.400     0.800 peak   246 spectrum    1 weight  0.10000E+01 volume  0.27772E-03 ppm1      8.327 ppm2      9.369 CV     1
 ASSI {  247}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
      5.400     3.700     0.600 peak   247 spectrum    1 weight  0.10000E+01 volume  0.27503E-03 ppm1      7.967 ppm2      6.602 CV     1
 ASSI {  248}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.600     2.600     1.400 peak   248 spectrum    1 weight  0.10000E+01 volume  0.27233E-03 ppm1      8.207 ppm2      9.379 CV     1
 ASSI {  250}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      5.000     3.100     1.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.26155E-03 ppm1      7.055 ppm2      1.002 CV     1
 ASSI {  252}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      5.000     3.100     1.000 peak   252 spectrum    1 weight  0.11000E+01 volume  0.25993E-03 ppm1      9.260 ppm2      5.562 CV     1
 ASSI {  253}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.700     2.800     1.300 peak   253 spectrum    1 weight  0.10000E+01 volume  0.25939E-03 ppm1      8.343 ppm2      9.368 CV     1
 ASSI {  255}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      5.600     4.000     0.400 peak   255 spectrum    1 weight  0.10000E+01 volume  0.25346E-03 ppm1      9.262 ppm2      1.904 CV     1
 ASSI {  257}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 31   and name HD21))
      5.300     3.500     0.700 peak   257 spectrum    1 weight  0.10000E+01 volume  0.24699E-03 ppm1     10.335 ppm2      6.642 CV     1
 ASSI {  258}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      4.400     2.400     1.600 peak   258 spectrum    1 weight  0.10000E+01 volume  0.23890E-03 ppm1      7.850 ppm2      2.364 CV     1
 ASSI {  264}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HD1 ))
      5.800     4.200     0.200 peak   264 spectrum    1 weight  0.10000E+01 volume  0.21840E-03 ppm1      8.772 ppm2      2.816 CV     1
 ASSI {  268}
   (( segid "    " and resid 31   and name HD21))
   (( segid "    " and resid 31   and name HN  ))
      4.800     2.800     1.200 peak   268 spectrum    1 weight  0.10000E+01 volume  0.20762E-03 ppm1      6.624 ppm2      8.201 CV     1
 ASSI {  269}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      4.900     3.000     1.100 peak   269 spectrum    1 weight  0.10000E+01 volume  0.20330E-03 ppm1      9.401 ppm2      1.298 CV     1
 ASSI {  272}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      5.200     3.400     0.800 peak   272 spectrum    1 weight  0.10000E+01 volume  0.19953E-03 ppm1      8.977 ppm2      8.618 CV     1
 ASSI {  276}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 28   and name HB1 ))
      4.600     2.700     1.400 peak   276 spectrum    1 weight  0.10000E+01 volume  0.19144E-03 ppm1     10.084 ppm2      2.401 CV     1
 ASSI {  277}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 26   and name HD1 ))
      4.200     2.200     1.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.19144E-03 ppm1     10.085 ppm2      2.768 CV     1
 ASSI {  278}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 39   and name HB2 ))
      5.500     3.800     0.500 peak   278 spectrum    1 weight  0.10000E+01 volume  0.19036E-03 ppm1     10.086 ppm2      3.131 CV     1
 ASSI {  281}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     5.800     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.18605E-03 ppm1      8.233 ppm2      2.386 CV     1
 ASSI {  283}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      5.300     3.600     0.700 peak   283 spectrum    1 weight  0.10000E+01 volume  0.18389E-03 ppm1      8.977 ppm2      3.683 CV     1
 ASSI {  284}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 39   and name HB1 ))
      5.600     4.000     0.400 peak   284 spectrum    1 weight  0.10000E+01 volume  0.18281E-03 ppm1     10.085 ppm2      3.665 CV     1
 ASSI {  287}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      5.200     3.300     0.800 peak   287 spectrum    1 weight  0.10000E+01 volume  0.18119E-03 ppm1      8.770 ppm2      7.754 CV     1
 ASSI {  288}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      5.200     3.400     0.800 peak   288 spectrum    1 weight  0.10000E+01 volume  0.18065E-03 ppm1      8.357 ppm2      9.407 CV     1
 ASSI {  289}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      5.300     3.600     0.700 peak   289 spectrum    1 weight  0.10000E+01 volume  0.17742E-03 ppm1      8.530 ppm2      1.085 CV     1
 ASSI {  290}
   (( segid "    " and resid 36   and name HE21))
   (( segid "    " and resid 38   and name HA  ))
      5.900     4.300     0.100 peak   290 spectrum    1 weight  0.10000E+01 volume  0.17688E-03 ppm1      7.579 ppm2      4.773 CV     1
 ASSI {  293}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      4.600     2.700     1.400 peak   293 spectrum    1 weight  0.10000E+01 volume  0.16879E-03 ppm1      8.662 ppm2      1.730 CV     1
 ASSI {  295}
   (( segid "    " and resid 12    and name HN  ))
   (  segid "    " and resid 10   and name HG1%)
      4.600     2.700     1.400 peak   295 spectrum    1 weight  0.10000E+01 volume  0.16340E-03 ppm1      8.220 ppm2      0.918 CV     1
 ASSI {  296}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      4.800     2.900     1.200 peak   296 spectrum    1 weight  0.10000E+01 volume  0.16340E-03 ppm1      7.852 ppm2      3.964 CV     1
 ASSI {  297}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      5.200     3.300     0.800 peak   297 spectrum    1 weight  0.10000E+01 volume  0.15855E-03 ppm1      8.494 ppm2      9.270 CV     1
 ASSI {  304}
   (( segid "    " and resid 31   and name HD21))
   (  segid "    " and resid 32   and name HG2%)
      6.000     4.500     0.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.14452E-03 ppm1      6.628 ppm2      1.385 CV     1
 ASSI {  305}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HG1 ))
      6.000     4.500     0.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.14129E-03 ppm1      8.324 ppm2      2.007 CV     1
 ASSI {  306}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      6.000     4.900     0.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.13482E-03 ppm1      7.774 ppm2      1.691 CV     1
 ASSI {  307}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     5.400     0.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.13104E-03 ppm1     10.335 ppm2      2.354 CV     1
 ASSI {  308}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 39   and name HZ3 ))
      4.500     2.600     1.500 peak   308 spectrum    1 weight  0.10000E+01 volume  0.12727E-03 ppm1      8.771 ppm2      6.958 CV     1
 ASSI {  311}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA1 ))
      5.500     3.800     0.500 peak   311 spectrum    1 weight  0.10000E+01 volume  0.11594E-03 ppm1      8.663 ppm2      3.911 CV     1
 ASSI {  312}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      5.400     3.600     0.600 peak   312 spectrum    1 weight  0.10000E+01 volume  0.11433E-03 ppm1      8.532 ppm2      4.781 CV     1
 ASSI {  313}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      6.000     4.700     0.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.11163E-03 ppm1      8.683 ppm2      5.188 CV     1
 ASSI {  314}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      6.000     4.600     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.10893E-03 ppm1      8.206 ppm2      1.721 CV     1
 ASSI {  315}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      5.400     3.700     0.600 peak   315 spectrum    1 weight  0.10000E+01 volume  0.92754E-04 ppm1      8.224 ppm2      4.817 CV     1
 ASSI {  318}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 42   and name HA  ))
      5.600     3.900     0.400 peak   318 spectrum    1 weight  0.10000E+01 volume  0.84128E-04 ppm1     10.335 ppm2      3.961 CV     1
 ASSI {  319}
   (( segid "    " and resid 17   and name HE1 ))
   (  segid "    " and resid 16   and name HE% )
      5.700     4.000     0.300 peak   319 spectrum    1 weight  0.10000E+01 volume  0.83047E-04 ppm1     10.334 ppm2      1.966 CV     1
 ASSI {  322}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      5.400     3.600     0.600 peak   322 spectrum    1 weight  0.10000E+01 volume  0.77114E-04 ppm1      8.476 ppm2      4.507 CV     1
 ASSI {  323}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 10   and name HG1%)
      6.000     4.700     0.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.76578E-04 ppm1      8.332 ppm2      0.936 CV     1
 ASSI {  324}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HE% )
      6.000     5.100     0.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.75498E-04 ppm1      8.688 ppm2      6.391 CV     1
 ASSI {  329}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 8    and name HB% )
      6.000     6.000     0.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.48263E-04 ppm1      8.204 ppm2      1.423 CV     1
 ASSI {  331}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      6.000     6.000     0.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.21786E-04 ppm1      8.209 ppm2      5.202 CV     1
 ASSI {    6}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HD1 ))
      1.900     0.500     0.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.28931E-01 ppm1      2.104 ppm2      1.579 CV     1
 ASSI {    7}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HG2 ))
      1.900     0.400     0.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.27622E-01 ppm1      1.990 ppm2      1.623 CV     1
 OR {    7}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HG1 ))
 ASSI {    9}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HG2 ))
      1.700     1.700     4.300 peak     9 spectrum    1 weight  0.10000E+01 volume  0.26988E-01 ppm1      1.991 ppm2      1.551 CV     1
 ASSI {   10}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 10   and name HG1%)
      2.200     2.200     3.800 peak    10 spectrum    1 weight  0.10000E+01 volume  0.25890E-01 ppm1      4.139 ppm2      0.902 CV     1
 ASSI {   13}
   (( segid "    " and resid 40   and name HG1 ))
   (  segid "    " and resid 29   and name HD% )
      2.300     2.300     3.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.19893E-01 ppm1      2.296 ppm2      6.772 CV     1
 ASSI {   16}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      2.400     0.700     0.700 peak    16 spectrum    1 weight  0.10000E+01 volume  0.18119E-01 ppm1      4.505 ppm2      2.504 CV     1
 ASSI {   18}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HE3 ))
      1.900     0.400     0.400 peak    18 spectrum    1 weight  0.10000E+01 volume  0.18077E-01 ppm1      3.124 ppm2      7.286 CV     1
 OR {   18}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {   19}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      1.900     0.400     0.400 peak    19 spectrum    1 weight  0.10000E+01 volume  0.17823E-01 ppm1      4.447 ppm2      8.558 CV     1
 ASSI {   27}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.300     0.700     0.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.16261E-01 ppm1      4.469 ppm2      2.570 CV     1
 ASSI {   32}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      1.700     0.400     0.500 peak    32 spectrum    1 weight  0.10000E+01 volume  0.15754E-01 ppm1      7.029 ppm2      7.931 CV     1
 ASSI {   35}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.000     2.000     4.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.14993E-01 ppm1      4.401 ppm2      1.682 CV     1
 ASSI {   36}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.400     0.700     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.14951E-01 ppm1      4.370 ppm2      1.724 CV     1
 ASSI {   41}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.300     0.700     0.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.13895E-01 ppm1      4.295 ppm2      1.729 CV     1
 ASSI {   42}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG2 ))
      2.700     0.900     0.900 peak    42 spectrum    1 weight  0.10000E+01 volume  0.13895E-01 ppm1      4.248 ppm2      2.203 CV     1
 ASSI {   46}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.000     0.500     0.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.13051E-01 ppm1      4.320 ppm2      2.303 CV     1
 ASSI {   48}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.100     1.200     1.200 peak    48 spectrum    1 weight  0.10000E+01 volume  0.12628E-01 ppm1      1.708 ppm2      8.495 CV     1
 ASSI {   55}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 39   and name HZ3 ))
      2.100     2.100     3.900 peak    55 spectrum    1 weight  0.10000E+01 volume  0.11446E-01 ppm1      2.382 ppm2      6.918 CV     1
 ASSI {   62}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      1.900     0.400     0.400 peak    62 spectrum    1 weight  0.10000E+01 volume  0.92493E-02 ppm1      2.256 ppm2      7.931 CV     1
 ASSI {   67}
   (( segid "    " and resid 21   and name HE1 ))
   (( segid "    " and resid 21   and name HB1 ))
      3.600     1.600     1.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.88693E-02 ppm1      2.891 ppm2      1.617 CV     1
 ASSI {   71}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 41   and name HD1 ))
      2.300     0.600     0.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.85315E-02 ppm1      2.842 ppm2      1.451 CV     1
 ASSI {   72}
   (( segid "    " and resid 41   and name HE1 ))
   (  segid "    " and resid 8    and name HB% )
      2.500     2.500     3.500 peak    72 spectrum    1 weight  0.10000E+01 volume  0.84894E-02 ppm1      2.857 ppm2      1.426 CV     1
 ASSI {   76}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 32   and name HG2%)
      2.800     2.800     3.200 peak    76 spectrum    1 weight  0.10000E+01 volume  0.84047E-02 ppm1      4.195 ppm2      1.354 CV     1
 ASSI {   78}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 35   and name HG1 ))
      2.500     0.800     0.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.83204E-02 ppm1      2.956 ppm2      1.172 CV     1
 ASSI {   79}
   (( segid "    " and resid 21   and name HE1 ))
   (( segid "    " and resid 21   and name HD1 ))
      2.300     0.700     0.700 peak    79 spectrum    1 weight  0.10000E+01 volume  0.82779E-02 ppm1      2.889 ppm2      1.527 CV     1
 ASSI {   83}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.000     0.500     0.500 peak    83 spectrum    1 weight  0.10000E+01 volume  0.77290E-02 ppm1      5.279 ppm2      9.387 CV     1
 ASSI {   84}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 26   and name HG2 ))
      2.300     0.700     0.700 peak    84 spectrum    1 weight  0.10000E+01 volume  0.77290E-02 ppm1      2.956 ppm2      1.561 CV     1
 ASSI {   87}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     2.400     3.600 peak    87 spectrum    1 weight  0.10000E+01 volume  0.73065E-02 ppm1      3.051 ppm2      8.306 CV     1
 ASSI {   90}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HD1 ))
      2.500     0.800     0.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.71801E-02 ppm1      3.033 ppm2      7.291 CV     1
 OR {   90}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HE3 ))
 ASSI {   91}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 40   and name HN  ))
      3.700     3.700     2.300 peak    91 spectrum    1 weight  0.10000E+01 volume  0.71376E-02 ppm1      0.958 ppm2      8.112 CV     1
 ASSI {   93}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     2.500     3.500 peak    93 spectrum    1 weight  0.10000E+01 volume  0.70112E-02 ppm1      3.709 ppm2      7.933 CV     1
 ASSI {   94}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 39   and name HZ2 ))
      3.100     1.200     1.200 peak    94 spectrum    1 weight  0.10000E+01 volume  0.67998E-02 ppm1      2.918 ppm2      7.293 CV     1
 ASSI {   97}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.200     0.600     0.600 peak    97 spectrum    1 weight  0.10000E+01 volume  0.60398E-02 ppm1      8.138 ppm2      8.574 CV     1
 ASSI {   98}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 27   and name HG2%)
      2.600     0.900     0.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.60398E-02 ppm1      1.760 ppm2      0.900 CV     1
 ASSI {   99}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.200     1.200 peak    99 spectrum    1 weight  0.10000E+01 volume  0.59973E-02 ppm1      2.348 ppm2      8.577 CV     1
 ASSI {  103}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.400     0.700     0.700 peak   103 spectrum    1 weight  0.10000E+01 volume  0.57862E-02 ppm1      4.111 ppm2      7.782 CV     1
 ASSI {  106}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 16   and name HE% )
      3.300     1.300     1.300 peak   106 spectrum    1 weight  0.10000E+01 volume  0.54905E-02 ppm1      4.101 ppm2      1.990 CV     1
 OR {  106}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  110}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.100     1.200     1.200 peak   110 spectrum    1 weight  0.10000E+01 volume  0.52795E-02 ppm1      3.649 ppm2      8.171 CV     1
 ASSI {  111}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.52373E-02 ppm1      1.848 ppm2      7.783 CV     1
 ASSI {  118}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HB1 ))
      3.500     1.500     1.500 peak   118 spectrum    1 weight  0.10000E+01 volume  0.47727E-02 ppm1      3.545 ppm2      2.301 CV     1
 ASSI {  126}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.100     1.200     1.200 peak   126 spectrum    1 weight  0.10000E+01 volume  0.43502E-02 ppm1      3.608 ppm2      2.292 CV     1
 ASSI {  129}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.100     0.600     0.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.43081E-02 ppm1      5.165 ppm2      3.113 CV     1
 ASSI {  130}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 22   and name HN  ))
      3.500     1.500     1.500 peak   130 spectrum    1 weight  0.10000E+01 volume  0.41981E-02 ppm1      1.335 ppm2      9.378 CV     1
 ASSI {  132}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HG1 ))
      2.300     0.700     0.700 peak   132 spectrum    1 weight  0.10000E+01 volume  0.40714E-02 ppm1      2.768 ppm2      1.632 CV     1
 ASSI {  140}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.38477E-02 ppm1      4.874 ppm2      9.375 CV     1
 ASSI {  141}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HG1 ))
      2.900     1.000     1.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.36533E-02 ppm1      2.101 ppm2      1.175 CV     1
 ASSI {  143}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.700     1.700     1.700 peak   143 spectrum    1 weight  0.10000E+01 volume  0.35520E-02 ppm1      2.666 ppm2      6.017 CV     1
 ASSI {  147}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.600     0.900     0.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.34844E-02 ppm1      3.611 ppm2      2.084 CV     1
 OR {  147}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  148}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 14   and name HG1 ))
      3.100     1.200     1.200 peak   148 spectrum    1 weight  0.10000E+01 volume  0.34337E-02 ppm1      2.979 ppm2      1.411 CV     1
 ASSI {  149}
   (  segid "    " and resid 29   and name HE% )
   (  segid "    " and resid 29   and name HD% )
      2.400     0.700     0.700 peak   149 spectrum    1 weight  0.10000E+01 volume  0.34041E-02 ppm1      6.658 ppm2      6.775 CV     1
 ASSI {  150}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.33915E-02 ppm1      3.028 ppm2      8.127 CV     1
 ASSI {  151}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.400     3.400     2.600 peak   151 spectrum    1 weight  0.10000E+01 volume  0.33281E-02 ppm1      3.961 ppm2      8.154 CV     1
 ASSI {  152}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.700     1.700     1.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.32944E-02 ppm1      3.615 ppm2      7.782 CV     1
 ASSI {  153}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 42   and name HB1 ))
      3.100     1.200     1.200 peak   153 spectrum    1 weight  0.10000E+01 volume  0.32479E-02 ppm1      2.587 ppm2      1.226 CV     1
 OR {  153}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  155}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HB2 ))
      1.900     0.400     0.400 peak   155 spectrum    1 weight  0.10000E+01 volume  0.32099E-02 ppm1      2.066 ppm2      1.681 CV     1
 ASSI {  156}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.300     0.700     0.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.31972E-02 ppm1      5.155 ppm2      9.381 CV     1
 ASSI {  162}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.500     1.500     1.500 peak   162 spectrum    1 weight  0.10000E+01 volume  0.29945E-02 ppm1      5.145 ppm2      2.578 CV     1
 ASSI {  170}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 34   and name HG2%)
      2.500     0.800     0.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.27073E-02 ppm1      1.688 ppm2      0.942 CV     1
 ASSI {  176}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      2.600     0.800     0.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.25468E-02 ppm1      2.662 ppm2      6.904 CV     1
 ASSI {  177}
   (( segid "    " and resid 41   and name HG1 ))
   (( segid "    " and resid 41   and name HG2 ))
      2.000     0.500     0.500 peak   177 spectrum    1 weight  0.10000E+01 volume  0.25426E-02 ppm1      1.020 ppm2      0.765 CV     1
 ASSI {  178}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.700     1.700     1.700 peak   178 spectrum    1 weight  0.10000E+01 volume  0.25383E-02 ppm1      3.642 ppm2      8.097 CV     1
 ASSI {  179}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 27   and name HG2%)
      3.200     1.300     1.300 peak   179 spectrum    1 weight  0.10000E+01 volume  0.25215E-02 ppm1      4.815 ppm2      0.853 CV     1
 ASSI {  181}
   (( segid "    " and resid 25   and name HA2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.000     1.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.24961E-02 ppm1      3.617 ppm2      7.716 CV     1
 ASSI {  184}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 28   and name HN  ))
      4.400     2.400     1.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.24581E-02 ppm1      1.335 ppm2      8.655 CV     1
 ASSI {  191}
   (( segid "    " and resid 23   and name HD2 ))
   (  segid "    " and resid 28   and name HD% )
      3.500     3.500     2.500 peak   191 spectrum    1 weight  0.10000E+01 volume  0.24158E-02 ppm1      3.568 ppm2      6.731 CV     1
 ASSI {  198}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 5    and name HN  ))
      3.000     3.000     3.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.23145E-02 ppm1      6.673 ppm2      8.651 CV     1
 ASSI {  202}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.300     1.300     1.300 peak   202 spectrum    1 weight  0.10000E+01 volume  0.22342E-02 ppm1      4.397 ppm2      7.788 CV     1
 ASSI {  204}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 39   and name HZ2 ))
      2.800     1.000     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.21836E-02 ppm1      1.734 ppm2      7.290 CV     1
 ASSI {  210}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 10   and name HG1%)
      4.900     3.000     1.100 peak   210 spectrum    1 weight  0.10000E+01 volume  0.20273E-02 ppm1      1.206 ppm2      0.902 CV     1
 ASSI {  212}
   (  segid "    " and resid 10   and name HG1%)
   (  segid "    " and resid 29   and name HE% )
      3.300     1.400     1.400 peak   212 spectrum    1 weight  0.10000E+01 volume  0.20019E-02 ppm1      0.952 ppm2      6.647 CV     1
 ASSI {  214}
   (( segid "    " and resid 39   and name HD1 ))
   (( segid "    " and resid 39   and name HE1 ))
      3.200     1.300     1.300 peak   214 spectrum    1 weight  0.10000E+01 volume  0.19681E-02 ppm1      7.355 ppm2     10.047 CV     1
 OR {  214}
   (( segid "    " and resid 39   and name HZ2 ))
   (( segid "    " and resid 39   and name HE1 ))
 ASSI {  215}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 9    and name HN  ))
      3.200     1.300     1.300 peak   215 spectrum    1 weight  0.10000E+01 volume  0.19470E-02 ppm1      2.107 ppm2      8.308 CV     1
 ASSI {  216}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      4.000     2.000     2.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.19428E-02 ppm1      4.319 ppm2      7.784 CV     1
 ASSI {  222}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     1.000     1.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.18752E-02 ppm1      7.021 ppm2      8.170 CV     1
 ASSI {  223}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 9    and name HN  ))
      4.000     2.000     2.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.18710E-02 ppm1      2.310 ppm2      8.289 CV     1
 ASSI {  225}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.300     1.300     1.300 peak   225 spectrum    1 weight  0.10000E+01 volume  0.18372E-02 ppm1      3.709 ppm2      8.114 CV     1
 ASSI {  226}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG1 ))
      3.100     1.200     1.200 peak   226 spectrum    1 weight  0.10000E+01 volume  0.18161E-02 ppm1      3.565 ppm2      1.829 CV     1
 ASSI {  228}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 17   and name HE3 ))
      3.700     1.700     1.700 peak   228 spectrum    1 weight  0.10000E+01 volume  0.17570E-02 ppm1      5.278 ppm2      7.295 CV     1
 ASSI {  235}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.000     1.100     1.100 peak   235 spectrum    1 weight  0.10000E+01 volume  0.17105E-02 ppm1      3.958 ppm2      1.223 CV     1
 OR {  235}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  236}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 26   and name HN  ))
      3.900     1.900     1.900 peak   236 spectrum    1 weight  0.10000E+01 volume  0.16978E-02 ppm1      4.310 ppm2      7.710 CV     1
 ASSI {  238}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 26   and name HN  ))
      3.500     1.600     1.600 peak   238 spectrum    1 weight  0.10000E+01 volume  0.16894E-02 ppm1      1.644 ppm2      7.708 CV     1
 ASSI {  239}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   239 spectrum    1 weight  0.10000E+01 volume  0.16345E-02 ppm1      7.746 ppm2      7.928 CV     1
 ASSI {  245}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   245 spectrum    1 weight  0.10000E+01 volume  0.15036E-02 ppm1      1.790 ppm2      8.649 CV     1
 ASSI {  248}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
      5.000     3.200     1.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.14191E-02 ppm1      4.187 ppm2      1.236 CV     1
 ASSI {  250}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 4    and name HE  ))
      3.900     1.900     1.900 peak   250 spectrum    1 weight  0.10000E+01 volume  0.14022E-02 ppm1      1.574 ppm2      7.181 CV     1
 ASSI {  254}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.800     1.800     1.800 peak   254 spectrum    1 weight  0.10000E+01 volume  0.13895E-02 ppm1      3.653 ppm2      8.497 CV     1
 ASSI {  260}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      3.500     1.500     1.500 peak   260 spectrum    1 weight  0.10000E+01 volume  0.12797E-02 ppm1      3.710 ppm2      6.559 CV     1
 ASSI {  262}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 29   and name HD% )
      2.800     1.000     1.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.12713E-02 ppm1      2.832 ppm2      6.774 CV     1
 ASSI {  263}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      3.500     3.500     2.500 peak   263 spectrum    1 weight  0.10000E+01 volume  0.12417E-02 ppm1      2.098 ppm2      6.559 CV     1
 ASSI {  266}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 40   and name HG1 ))
      3.300     3.300     2.700 peak   266 spectrum    1 weight  0.10000E+01 volume  0.12333E-02 ppm1      2.999 ppm2      2.273 CV     1
 ASSI {  275}
   (  segid "    " and resid 27   and name HG2%)
   (  segid "    " and resid 29   and name HE% )
      3.400     1.500     1.500 peak   275 spectrum    1 weight  0.10000E+01 volume  0.11657E-02 ppm1      0.869 ppm2      6.640 CV     1
 ASSI {  279}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.000     1.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.11404E-02 ppm1      1.575 ppm2      7.710 CV     1
 ASSI {  281}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 27   and name HN  ))
      4.400     2.400     1.600 peak   281 spectrum    1 weight  0.10000E+01 volume  0.11277E-02 ppm1      1.574 ppm2      8.743 CV     1
 ASSI {  283}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 26   and name HG2 ))
      3.900     1.900     1.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.11235E-02 ppm1      4.874 ppm2      1.555 CV     1
 ASSI {  285}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 17   and name HZ2 ))
      3.600     1.700     1.700 peak   285 spectrum    1 weight  0.10000E+01 volume  0.11193E-02 ppm1      1.175 ppm2      7.454 CV     1
 ASSI {  295}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      3.500     1.500     1.500 peak   295 spectrum    1 weight  0.10000E+01 volume  0.10516E-02 ppm1      2.647 ppm2      1.040 CV     1
 ASSI {  301}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
      4.700     2.700     1.300 peak   301 spectrum    1 weight  0.10000E+01 volume  0.10052E-02 ppm1      3.659 ppm2      6.014 CV     1
 ASSI {  304}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 39   and name HZ3 ))
      3.900     1.900     1.900 peak   304 spectrum    1 weight  0.10000E+01 volume  0.96718E-03 ppm1      1.584 ppm2      6.915 CV     1
 ASSI {  306}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.600     1.600 peak   306 spectrum    1 weight  0.10000E+01 volume  0.95029E-03 ppm1      4.248 ppm2      8.113 CV     1
 ASSI {  312}
   (( segid "    " and resid 10   and name HB  ))
   (  segid "    " and resid 27   and name HG2%)
      4.200     2.200     1.800 peak   312 spectrum    1 weight  0.10000E+01 volume  0.89115E-03 ppm1      2.085 ppm2      0.890 CV     1
 ASSI {  317}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 17   and name HE3 ))
      3.400     1.500     1.500 peak   317 spectrum    1 weight  0.10000E+01 volume  0.85736E-03 ppm1      1.181 ppm2      7.285 CV     1
 OR {  317}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  322}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 4    and name HE  ))
      3.800     1.800     1.800 peak   322 spectrum    1 weight  0.10000E+01 volume  0.83204E-03 ppm1      2.770 ppm2      7.181 CV     1
 ASSI {  329}
   (( segid "    " and resid 11   and name HA1 ))
   (( segid "    " and resid 11   and name HN  ))
      3.300     1.400     1.400 peak   329 spectrum    1 weight  0.10000E+01 volume  0.79401E-03 ppm1      3.972 ppm2      8.457 CV     1
 ASSI {  337}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      4.800     2.900     1.200 peak   337 spectrum    1 weight  0.10000E+01 volume  0.76869E-03 ppm1      1.768 ppm2      1.041 CV     1
 ASSI {  340}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.900     1.100     1.100 peak   340 spectrum    1 weight  0.10000E+01 volume  0.74755E-03 ppm1      4.137 ppm2      8.456 CV     1
 ASSI {  342}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.400     1.500     1.500 peak   342 spectrum    1 weight  0.10000E+01 volume  0.73065E-03 ppm1      1.956 ppm2      8.559 CV     1
 ASSI {  360}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.500     1.500     1.500 peak   360 spectrum    1 weight  0.11000E+01 volume  0.65466E-03 ppm1      8.583 ppm2      8.656 CV     1
 ASSI {  363}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 17   and name HE3 ))
      3.500     1.500     1.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.64198E-03 ppm1      1.245 ppm2      7.288 CV     1
 OR {  363}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  365}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 41   and name HG1 ))
      4.500     2.500     1.500 peak   365 spectrum    1 weight  0.10000E+01 volume  0.63351E-03 ppm1      2.835 ppm2      1.036 CV     1
 ASSI {  366}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 17   and name HE1 ))
      3.800     1.900     1.900 peak   366 spectrum    1 weight  0.10000E+01 volume  0.63351E-03 ppm1      7.472 ppm2     10.363 CV     1
 ASSI {  371}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak   371 spectrum    1 weight  0.10000E+01 volume  0.60398E-03 ppm1      2.649 ppm2      8.929 CV     1
 ASSI {  378}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.400     1.400     1.400 peak   378 spectrum    1 weight  0.10000E+01 volume  0.57862E-03 ppm1      8.242 ppm2      8.577 CV     1
 ASSI {  379}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 19   and name HN  ))
      5.200     3.400     0.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.56595E-03 ppm1      1.956 ppm2      8.651 CV     1
 ASSI {  383}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 29   and name HD% )
      4.400     2.500     1.600 peak   383 spectrum    1 weight  0.10000E+01 volume  0.54063E-03 ppm1      1.056 ppm2      6.774 CV     1
 ASSI {  386}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 28   and name HN  ))
      3.300     1.300     1.300 peak   386 spectrum    1 weight  0.10000E+01 volume  0.51527E-03 ppm1      6.746 ppm2      8.656 CV     1
 ASSI {  387}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 17   and name HE1 ))
      3.700     1.700     1.700 peak   387 spectrum    1 weight  0.10000E+01 volume  0.51106E-03 ppm1      1.184 ppm2     10.364 CV     1
 ASSI {  388}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.900     3.000     1.100 peak   388 spectrum    1 weight  0.10000E+01 volume  0.51106E-03 ppm1      8.132 ppm2      8.302 CV     1
 ASSI {  396}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 39   and name HH2 ))
      3.600     1.600     1.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.48991E-03 ppm1      1.643 ppm2      7.070 CV     1
 ASSI {  400}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.700     1.700 peak   400 spectrum    1 weight  0.10000E+01 volume  0.48148E-03 ppm1      1.245 ppm2      8.558 CV     1
 ASSI {  404}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 4    and name HE  ))
      4.100     2.100     1.900 peak   404 spectrum    1 weight  0.10000E+01 volume  0.46038E-03 ppm1      1.990 ppm2      7.181 CV     1
 ASSI {  411}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 41   and name HG1 ))
      4.000     2.000     2.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.43923E-03 ppm1      2.301 ppm2      1.029 CV     1
 ASSI {  417}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HB2 ))
      4.800     2.900     1.200 peak   417 spectrum    1 weight  0.10000E+01 volume  0.42656E-03 ppm1      3.585 ppm2      1.704 CV     1
 ASSI {  419}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.500     1.500 peak   419 spectrum    1 weight  0.10000E+01 volume  0.42234E-03 ppm1      7.305 ppm2      8.128 CV     1
 ASSI {  422}
   (( segid "    " and resid 23   and name HD1 ))
   (  segid "    " and resid 28   and name HE% )
      5.500     3.700     0.500 peak   422 spectrum    1 weight  0.10000E+01 volume  0.41813E-03 ppm1      3.660 ppm2      6.340 CV     1
 ASSI {  426}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HD1 ))
      5.200     3.400     0.800 peak   426 spectrum    1 weight  0.10000E+01 volume  0.39829E-03 ppm1      1.997 ppm2      7.291 CV     1
 OR {  426}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  428}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      4.300     2.300     1.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.38772E-03 ppm1      1.233 ppm2      8.150 CV     1
 OR {  428}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI {  432}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      4.500     2.500     1.500 peak   432 spectrum    1 weight  0.10000E+01 volume  0.37589E-03 ppm1      1.181 ppm2      8.149 CV     1
 ASSI {  437}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 17   and name HZ2 ))
      4.500     2.600     1.500 peak   437 spectrum    1 weight  0.10000E+01 volume  0.36491E-03 ppm1      1.238 ppm2      7.457 CV     1
 ASSI {  442}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 28   and name HD% )
      4.000     2.000     2.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.35646E-03 ppm1      4.107 ppm2      6.729 CV     1
 ASSI {  447}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 17   and name HE3 ))
      4.300     2.300     1.700 peak   447 spectrum    1 weight  0.10000E+01 volume  0.34802E-03 ppm1      6.037 ppm2      7.294 CV     1
 ASSI {  454}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 17   and name HE3 ))
      5.300     3.500     0.700 peak   454 spectrum    1 weight  0.10000E+01 volume  0.33112E-03 ppm1      6.790 ppm2      7.296 CV     1
 ASSI {  457}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      5.600     3.900     0.400 peak   457 spectrum    1 weight  0.10000E+01 volume  0.31339E-03 ppm1      0.068 ppm2      7.933 CV     1
 ASSI {  458}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      4.800     2.900     1.200 peak   458 spectrum    1 weight  0.10000E+01 volume  0.31296E-03 ppm1      2.588 ppm2      8.557 CV     1
 ASSI {  460}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      4.700     2.800     1.300 peak   460 spectrum    1 weight  0.10000E+01 volume  0.31212E-03 ppm1      2.832 ppm2      8.929 CV     1
 ASSI {  461}
   (( segid "    " and resid 12    and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      4.500     2.500     1.500 peak   461 spectrum    1 weight  0.10000E+01 volume  0.30789E-03 ppm1      3.883 ppm2      8.377 CV     1
 ASSI {  463}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 29   and name HE% )
      5.300     3.500     0.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.30747E-03 ppm1      2.840 ppm2      6.639 CV     1
 ASSI {  467}
   (( segid "    " and resid 39   and name HZ2 ))
   (( segid "    " and resid 25   and name HN  ))
      5.500     3.800     0.500 peak   467 spectrum    1 weight  0.10000E+01 volume  0.30072E-03 ppm1      7.299 ppm2      8.293 CV     1
 ASSI {  469}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      4.800     2.900     1.200 peak   469 spectrum    1 weight  0.10000E+01 volume  0.29438E-03 ppm1      2.692 ppm2      8.294 CV     1
 ASSI {  490}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      4.500     2.600     1.500 peak   490 spectrum    1 weight  0.10000E+01 volume  0.25763E-03 ppm1      4.094 ppm2      7.932 CV     1
 ASSI {  504}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      5.100     3.300     0.900 peak   504 spectrum    1 weight  0.10000E+01 volume  0.24623E-03 ppm1      2.657 ppm2      8.651 CV     1
 ASSI {  512}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 27   and name HG2%)
      6.000     4.700     0.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.23145E-03 ppm1      4.454 ppm2      0.851 CV     1
 ASSI {  513}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HD21))
      4.000     2.000     2.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.23018E-03 ppm1      0.064 ppm2      6.645 CV     1
 ASSI {  515}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 39   and name HZ3 ))
      4.100     2.100     1.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.21836E-03 ppm1      4.107 ppm2      6.917 CV     1
 ASSI {  519}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 35   and name HN  ))
      3.900     1.900     1.900 peak   519 spectrum    1 weight  0.10000E+01 volume  0.20526E-03 ppm1      4.224 ppm2      7.937 CV     1
 ASSI {  522}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 41   and name HG2 ))
      4.800     2.900     1.200 peak   522 spectrum    1 weight  0.10000E+01 volume  0.20104E-03 ppm1      2.854 ppm2      0.768 CV     1
 ASSI {  527}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 38   and name HN  ))
      5.300     3.500     0.700 peak   527 spectrum    1 weight  0.10000E+01 volume  0.19597E-03 ppm1      6.747 ppm2      9.241 CV     1
 ASSI {  531}
   (( segid "    " and resid 41   and name HG1 ))
   (( segid "    " and resid 41   and name HN  ))
      4.700     2.800     1.300 peak   531 spectrum    1 weight  0.10000E+01 volume  0.18837E-03 ppm1      1.029 ppm2      8.221 CV     1
 ASSI {  532}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 28   and name HD% )
      5.100     3.300     0.900 peak   532 spectrum    1 weight  0.10000E+01 volume  0.18795E-03 ppm1      6.031 ppm2      6.730 CV     1
 ASSI {  534}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.900     0.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.18752E-03 ppm1      2.788 ppm2      8.303 CV     1
 ASSI {  536}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 41   and name HG2 ))
      3.500     3.500     2.500 peak   536 spectrum    1 weight  0.10000E+01 volume  0.18583E-03 ppm1      2.583 ppm2      0.763 CV     1
 ASSI {  539}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      4.100     2.100     1.900 peak   539 spectrum    1 weight  0.10000E+01 volume  0.18203E-03 ppm1      5.020 ppm2      8.929 CV     1
 ASSI {  545}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HD1 ))
      5.400     3.700     0.600 peak   545 spectrum    1 weight  0.10000E+01 volume  0.17697E-03 ppm1      4.298 ppm2      7.284 CV     1
 OR {  545}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HE3 ))
 ASSI {  548}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      4.800     2.800     1.200 peak   548 spectrum    1 weight  0.10000E+01 volume  0.17528E-03 ppm1      4.227 ppm2      9.242 CV     1
 ASSI {  552}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     6.000     0.000 peak   552 spectrum    1 weight  0.10000E+01 volume  0.17105E-03 ppm1      0.867 ppm2      9.381 CV     1
 ASSI {  553}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 39   and name HE3 ))
      6.000     5.000     0.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.17105E-03 ppm1      6.746 ppm2      7.972 CV     1
 ASSI {  554}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 17   and name HD1 ))
      6.000     4.600     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.17063E-03 ppm1      3.992 ppm2      7.283 CV     1
 ASSI {  556}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 36   and name HE21))
      6.000     5.900     0.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.16767E-03 ppm1      0.961 ppm2      7.594 CV     1
 ASSI {  560}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      5.400     3.700     0.600 peak   560 spectrum    1 weight  0.10000E+01 volume  0.16556E-03 ppm1      8.164 ppm2      9.392 CV     1
 ASSI {  573}
   (( segid "    " and resid 31   and name HD21))
   (( segid "    " and resid 17   and name HZ2 ))
      5.600     4.000     0.400 peak   573 spectrum    1 weight  0.10000E+01 volume  0.15204E-03 ppm1      6.666 ppm2      7.456 CV     1
 ASSI {  574}
   (( segid "    " and resid 41   and name HG1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.600     3.600     2.400 peak   574 spectrum    1 weight  0.10000E+01 volume  0.15162E-03 ppm1      1.028 ppm2      8.153 CV     1
 ASSI {  578}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 17   and name HH2 ))
      5.400     3.700     0.600 peak   578 spectrum    1 weight  0.10000E+01 volume  0.14993E-03 ppm1      1.193 ppm2      7.006 CV     1
 ASSI {  583}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     6.000     0.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.14233E-03 ppm1      3.704 ppm2      1.992 CV     1
 OR {  583}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 16   and name HE% )
 ASSI {  586}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 39   and name HH2 ))
      4.800     2.900     1.200 peak   586 spectrum    1 weight  0.10000E+01 volume  0.13980E-03 ppm1      2.379 ppm2      7.073 CV     1
 ASSI {  588}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 17   and name HE1 ))
      6.000     5.000     0.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.13811E-03 ppm1      0.681 ppm2     10.363 CV     1
 ASSI {  595}
   (( segid "    " and resid 35   and name HD1 ))
   (  segid "    " and resid 30   and name HE% )
      3.700     3.700     2.300 peak   595 spectrum    1 weight  0.10000E+01 volume  0.13473E-03 ppm1      1.595 ppm2      6.559 CV     1
 ASSI {  603}
   (( segid "    " and resid 31   and name HD21))
   (( segid "    " and resid 34   and name HN  ))
      4.300     2.300     1.700 peak   603 spectrum    1 weight  0.10000E+01 volume  0.13093E-03 ppm1      6.662 ppm2      7.731 CV     1
 ASSI {  605}
   (( segid "    " and resid 33   and name HG1 ))
   (( segid "    " and resid 34   and name HN  ))
      5.300     3.500     0.700 peak   605 spectrum    1 weight  0.10000E+01 volume  0.12882E-03 ppm1      2.320 ppm2      7.784 CV     1
 ASSI {  608}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      5.800     4.100     0.200 peak   608 spectrum    1 weight  0.10000E+01 volume  0.12713E-03 ppm1      0.959 ppm2      7.933 CV     1
 ASSI {  612}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 17   and name HH2 ))
      6.000     4.600     0.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.12628E-03 ppm1      0.957 ppm2      7.008 CV     1
 ASSI {  615}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.600     0.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.12586E-03 ppm1      5.575 ppm2      2.237 CV     1
 ASSI {  618}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HN  ))
      4.000     2.000     2.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.12459E-03 ppm1      0.786 ppm2      8.219 CV     1
 ASSI {  628}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 17   and name HE3 ))
      4.300     2.300     1.700 peak   628 spectrum    1 weight  0.10000E+01 volume  0.12164E-03 ppm1      0.065 ppm2      7.297 CV     1
 OR {  628}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  630}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     5.100     0.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.12079E-03 ppm1      4.308 ppm2      8.573 CV     1
 ASSI {  631}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HG1 ))
      5.100     3.300     0.900 peak   631 spectrum    1 weight  0.10000E+01 volume  0.12037E-03 ppm1      4.094 ppm2      1.173 CV     1
 ASSI {  634}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      5.800     4.100     0.200 peak   634 spectrum    1 weight  0.10000E+01 volume  0.11868E-03 ppm1      6.038 ppm2      7.070 CV     1
 ASSI {  635}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     6.000     0.000 peak   635 spectrum    1 weight  0.10000E+01 volume  0.11826E-03 ppm1      2.532 ppm2      7.786 CV     1
 ASSI {  643}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 39   and name HH2 ))
      5.400     3.700     0.600 peak   643 spectrum    1 weight  0.10000E+01 volume  0.11193E-03 ppm1      3.554 ppm2      7.074 CV     1
 ASSI {  644}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 35   and name HB1 ))
      6.000     5.900     0.000 peak   644 spectrum    1 weight  0.10000E+01 volume  0.11193E-03 ppm1      2.961 ppm2      2.087 CV     1
 ASSI {  646}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
      6.000     5.200     0.000 peak   646 spectrum    1 weight  0.10000E+01 volume  0.11108E-03 ppm1      5.163 ppm2      1.236 CV     1
 ASSI {  648}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 28   and name HE% )
      6.000     4.900     0.000 peak   648 spectrum    1 weight  0.10000E+01 volume  0.11066E-03 ppm1      5.569 ppm2      6.340 CV     1
 ASSI {  649}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HN  ))
      4.100     2.100     1.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.10981E-03 ppm1      2.496 ppm2      8.581 CV     1
 ASSI {  653}
   (( segid "    " and resid 4    and name HE  ))
   (( segid "    " and resid 39   and name HE3 ))
      5.000     3.200     1.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.10728E-03 ppm1      7.198 ppm2      7.969 CV     1
 ASSI {  654}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 17   and name HZ2 ))
      6.000     4.500     0.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.10643E-03 ppm1      2.070 ppm2      7.458 CV     1
 ASSI {  655}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 40   and name HN  ))
      4.300     2.300     1.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.10559E-03 ppm1      6.794 ppm2      8.095 CV     1
 ASSI {  656}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 28   and name HE% )
      6.000     5.000     0.000 peak   656 spectrum    1 weight  0.10000E+01 volume  0.10474E-03 ppm1      6.037 ppm2      6.338 CV     1
 ASSI {  657}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HE21))
      5.900     4.300     0.100 peak   657 spectrum    1 weight  0.10000E+01 volume  0.10432E-03 ppm1      7.080 ppm2      7.538 CV     1
 ASSI {  661}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 37   and name HN  ))
      5.300     3.500     0.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.10390E-03 ppm1      6.929 ppm2      8.499 CV     1
 ASSI {  665}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     6.000     0.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.10221E-03 ppm1      3.855 ppm2      1.988 CV     1
 OR {  665}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 16   and name HE% )
 ASSI {  669}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      5.800     4.200     0.200 peak   669 spectrum    1 weight  0.10000E+01 volume  0.98407E-04 ppm1      4.871 ppm2      8.266 CV     1
 ASSI {  670}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.900     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.98407E-04 ppm1      5.005 ppm2      8.663 CV     1
 ASSI {  671}
   (( segid "    " and resid 42   and name HG2 ))
   (  segid "    " and resid 29   and name HD% )
      5.500     3.700     0.500 peak   671 spectrum    1 weight  0.10000E+01 volume  0.97986E-04 ppm1      0.356 ppm2      6.775 CV     1
 ASSI {  675}
   (( segid "    " and resid 39   and name HZ3 ))
   (( segid "    " and resid 26   and name HN  ))
      5.400     3.600     0.600 peak   675 spectrum    1 weight  0.10000E+01 volume  0.95029E-04 ppm1      6.934 ppm2      7.709 CV     1
 ASSI {  676}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      5.600     3.900     0.400 peak   676 spectrum    1 weight  0.10000E+01 volume  0.95029E-04 ppm1      3.872 ppm2      8.577 CV     1
 ASSI {  681}
   (( segid "    " and resid 12    and name HA  ))
   (( segid "    " and resid 14   and name HE1 ))
      5.500     3.800     0.500 peak   681 spectrum    1 weight  0.10000E+01 volume  0.92918E-04 ppm1      4.439 ppm2      2.983 CV     1
 ASSI {  685}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.800     0.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.91651E-04 ppm1      5.279 ppm2      8.653 CV     1
 ASSI {  687}
   (( segid "    " and resid 17   and name HH2 ))
   (( segid "    " and resid 17   and name HE1 ))
      6.000     6.000     0.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.91229E-04 ppm1      7.015 ppm2     10.364 CV     1
 ASSI {  689}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 20   and name HN  ))
      5.500     3.800     0.500 peak   689 spectrum    1 weight  0.10000E+01 volume  0.90804E-04 ppm1      6.361 ppm2      8.557 CV     1
 ASSI {  690}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     5.100     0.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.90383E-04 ppm1      3.137 ppm2      6.025 CV     1
 ASSI {  694}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HE1 ))
      6.000     5.500     0.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.89115E-04 ppm1      3.125 ppm2     10.359 CV     1
 ASSI {  699}
   (( segid "    " and resid 21   and name HG1 ))
   (  segid "    " and resid 27   and name HG2%)
      6.000     5.400     0.000 peak   699 spectrum    1 weight  0.10000E+01 volume  0.87004E-04 ppm1      1.328 ppm2      0.849 CV     1
 ASSI {  703}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 31   and name HD21))
      6.000     6.000     0.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.85736E-04 ppm1      2.516 ppm2      6.649 CV     1
 ASSI {  704}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.600     0.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.85315E-04 ppm1      3.840 ppm2      8.649 CV     1
 ASSI {  707}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      4.500     2.500     1.500 peak   707 spectrum    1 weight  0.10000E+01 volume  0.84047E-04 ppm1      4.001 ppm2      8.581 CV     1
 ASSI {  715}
   (( segid "    " and resid 21   and name HE1 ))
   (  segid "    " and resid 27   and name HG2%)
      6.000     4.800     0.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.81090E-04 ppm1      2.891 ppm2      0.850 CV     1
 ASSI {  717}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.900     0.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.79826E-04 ppm1      1.698 ppm2      7.930 CV     1
 ASSI {  723}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.800     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.78137E-04 ppm1      5.155 ppm2      7.710 CV     1
 ASSI {  724}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 39   and name HE1 ))
      6.000     4.500     0.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.78137E-04 ppm1      2.698 ppm2     10.048 CV     1
 ASSI {  733}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 40   and name HN  ))
      5.800     4.300     0.200 peak   733 spectrum    1 weight  0.10000E+01 volume  0.74755E-04 ppm1      0.672 ppm2      8.147 CV     1
 ASSI {  738}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 39   and name HZ2 ))
      6.000     5.500     0.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.71801E-04 ppm1      4.107 ppm2      7.296 CV     1
 ASSI {  739}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 40   and name HN  ))
      5.300     3.500     0.700 peak   739 spectrum    1 weight  0.10000E+01 volume  0.71376E-04 ppm1      6.663 ppm2      8.100 CV     1
 ASSI {  740}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak   740 spectrum    1 weight  0.10000E+01 volume  0.70112E-04 ppm1      6.024 ppm2      9.388 CV     1
 ASSI {  741}
   (( segid "    " and resid 39   and name HZ3 ))
   (( segid "    " and resid 28   and name HN  ))
      4.800     2.900     1.200 peak   741 spectrum    1 weight  0.10000E+01 volume  0.70112E-04 ppm1      6.933 ppm2      8.655 CV     1
 ASSI {  743}
   (( segid "    " and resid 14   and name HG1 ))
   (  segid "    " and resid 29   and name HD% )
      5.600     3.900     0.400 peak   743 spectrum    1 weight  0.10000E+01 volume  0.68844E-04 ppm1      1.457 ppm2      6.774 CV     1
 ASSI {  748}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     5.300     0.000 peak   748 spectrum    1 weight  0.10000E+01 volume  0.65887E-04 ppm1      2.834 ppm2      9.237 CV     1
 ASSI {  749}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 39   and name HZ2 ))
      6.000     6.000     0.000 peak   749 spectrum    1 weight  0.10000E+01 volume  0.65887E-04 ppm1      3.568 ppm2      7.292 CV     1
 ASSI {  752}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     5.400     0.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.64619E-04 ppm1      1.616 ppm2      8.506 CV     1
 ASSI {  753}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.800     0.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.64198E-04 ppm1      1.333 ppm2      8.738 CV     1
 ASSI {  755}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.600     0.000 peak   755 spectrum    1 weight  0.10000E+01 volume  0.62930E-04 ppm1      6.027 ppm2      8.932 CV     1
 ASSI {  757}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HE1 ))
      6.000     5.900     0.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.62509E-04 ppm1      3.037 ppm2     10.364 CV     1
 ASSI {  761}
   (( segid "    " and resid 39   and name HH2 ))
   (( segid "    " and resid 39   and name HE1 ))
      6.000     6.000     0.000 peak   761 spectrum    1 weight  0.10000E+01 volume  0.61241E-04 ppm1      7.091 ppm2     10.049 CV     1
 ASSI {  762}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 29   and name HN  ))
      6.000     5.900     0.000 peak   762 spectrum    1 weight  0.10000E+01 volume  0.60398E-04 ppm1      0.868 ppm2      8.933 CV     1
 ASSI {  765}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.900     0.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.58705E-04 ppm1      5.158 ppm2      8.746 CV     1
 ASSI {  774}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     5.500     0.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.56173E-04 ppm1      1.339 ppm2      7.705 CV     1
 ASSI {  776}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 35   and name HG1 ))
      6.000     4.800     0.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.54905E-04 ppm1      3.705 ppm2      1.173 CV     1
 ASSI {  777}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     6.000     0.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.54484E-04 ppm1      2.378 ppm2      6.015 CV     1
 ASSI {  778}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 39   and name HE1 ))
      6.000     6.000     0.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.54063E-04 ppm1      2.921 ppm2     10.052 CV     1
 ASSI {  779}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 27   and name HG2%)
      6.000     6.000     0.000 peak   779 spectrum    1 weight  0.10000E+01 volume  0.54063E-04 ppm1      2.382 ppm2      0.849 CV     1
 ASSI {  784}
   (( segid "    " and resid 42   and name HG1 ))
   (  segid "    " and resid 29   and name HE% )
      5.700     4.000     0.300 peak   784 spectrum    1 weight  0.10000E+01 volume  0.52795E-04 ppm1      0.680 ppm2      6.641 CV     1
 ASSI {  785}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 17   and name HZ2 ))
      6.000     6.000     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.52373E-04 ppm1      1.704 ppm2      7.452 CV     1
 ASSI {  789}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     6.000     0.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.48991E-04 ppm1      0.354 ppm2      8.147 CV     1
 ASSI {  791}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 35   and name HN  ))
      4.300     2.300     1.700 peak   791 spectrum    1 weight  0.10000E+01 volume  0.48991E-04 ppm1      2.954 ppm2      7.932 CV     1
 ASSI {  793}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 27   and name HG2%)
      6.000     6.000     0.000 peak   793 spectrum    1 weight  0.10000E+01 volume  0.46459E-04 ppm1      5.278 ppm2      0.856 CV     1
 ASSI {  796}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HE21))
      4.100     2.100     1.900 peak   796 spectrum    1 weight  0.10000E+01 volume  0.45191E-04 ppm1      2.081 ppm2      7.544 CV     1
 ASSI {  800}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HE1 ))
      6.000     6.000     0.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.44349E-04 ppm1      4.295 ppm2     10.365 CV     1
 ASSI {  801}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 4    and name HE  ))
      6.000     5.200     0.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.43923E-04 ppm1      4.478 ppm2      7.178 CV     1
 ASSI {  803}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     6.000     0.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.42234E-04 ppm1      3.875 ppm2      8.126 CV     1
 ASSI {  805}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 17   and name HE1 ))
      6.000     6.000     0.000 peak   805 spectrum    1 weight  0.10000E+01 volume  0.41434E-04 ppm1      1.998 ppm2     10.361 CV     1
 OR {  805}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HE1 ))
!!!!!!!
 ASSI {   27}
   (( segid "    " and resid 12    and name HB1 ))
   (( segid "    " and resid 12    and name HA  ))
      2.400     0.700     0.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.73525E-02 ppm1      3.843 ppm2      4.446 CV     1
 ASSI {   28}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      2.200     0.600     0.600 peak    28 spectrum    1 weight  0.10000E+01 volume  0.73525E-02 ppm1      4.783 ppm2      4.212 CV     1
 ASSI {   36}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.900     0.900 peak    36 spectrum    1 weight  0.10000E+01 volume  0.59590E-02 ppm1      3.845 ppm2      4.298 CV     1
 ASSI {   45}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.700     0.900     0.900 peak    45 spectrum    1 weight  0.10000E+01 volume  0.52557E-02 ppm1      4.261 ppm2      2.037 CV     1
 ASSI {   52}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      2.200     0.600     0.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.49661E-02 ppm1      2.007 ppm2      4.480 CV     1
 ASSI {   65}
   (( segid "    " and resid 13   and name HB% ))
   (( segid "    " and resid 13   and name HA  ))
      2.500     0.800     0.800 peak    65 spectrum    1 weight  0.10000E+01 volume  0.43452E-02 ppm1      1.380 ppm2      4.295 CV     1
 ASSI {  113}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HD% )
      2.800     2.800     3.200 peak   113 spectrum    1 weight  0.10000E+01 volume  0.27175E-02 ppm1      4.824 ppm2      6.777 CV     1
 ASSI {  170}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.600     0.900     0.900 peak   170 spectrum    1 weight  0.10000E+01 volume  0.14346E-02 ppm1      0.050 ppm2      4.390 CV     1
 ASSI {  182}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     1.100     1.100 peak   182 spectrum    1 weight  0.10000E+01 volume  0.12594E-02 ppm1      2.251 ppm2      4.391 CV     1
 ASSI {  214}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HG1 ))
      3.400     1.500     1.500 peak   214 spectrum    1 weight  0.10000E+01 volume  0.72422E-03 ppm1      3.194 ppm2      1.620 CV     1
 ASSI {  234}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HD2 ))
      4.300     2.300     1.700 peak   234 spectrum    1 weight  0.10000E+01 volume  0.53247E-03 ppm1      2.587 ppm2      6.713 CV     1
 ASSI {  296}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HD1 ))
      5.100     3.300     0.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.18622E-03 ppm1      5.036 ppm2      7.367 CV     1
 ASSI {    9}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      1.900     0.500     0.500 peak     9 spectrum    1 weight  0.10000E+01 volume  0.86284E-02 ppm1      8.588 ppm2      4.516 CV     1
 ASSI {   23}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.300     0.700     0.700 peak    23 spectrum    1 weight  0.10000E+01 volume  0.56085E-02 ppm1      8.229 ppm2      1.356 CV     1
 ASSI {   34}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.500     0.800     0.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.46647E-02 ppm1      8.245 ppm2      4.316 CV     1
 ASSI {   57}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.500     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.30523E-02 ppm1      9.402 ppm2      2.704 CV     1
 ASSI {   59}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA1 ))
      3.100     1.200     1.200 peak    59 spectrum    1 weight  0.10000E+01 volume  0.28258E-02 ppm1      8.345 ppm2      4.336 CV     1
 ASSI {   63}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.27395E-02 ppm1      8.162 ppm2      4.306 CV     1
 ASSI {   72}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.100     1.200     1.200 peak    72 spectrum    1 weight  0.10000E+01 volume  0.24213E-02 ppm1      8.203 ppm2      4.470 CV     1
 ASSI {   82}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.000     1.100     1.100 peak    82 spectrum    1 weight  0.10000E+01 volume  0.20115E-02 ppm1      8.431 ppm2      4.341 CV     1
 ASSI {  105}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.000     1.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.15639E-02 ppm1      7.056 ppm2      4.406 CV     1
 ASSI {  107}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.900     1.000     1.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.15585E-02 ppm1      8.428 ppm2      1.767 CV     1
 ASSI {  137}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.100     1.100 peak   137 spectrum    1 weight  0.10000E+01 volume  0.10246E-02 ppm1      8.207 ppm2      4.432 CV     1
 ASSI {  169}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.900     1.900     1.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.71721E-03 ppm1      9.379 ppm2      4.467 CV     1
 ASSI {  317}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 17   and name HZ3 ))
      6.000     4.700     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.87901E-04 ppm1     10.334 ppm2      6.974 CV     1
 ASSI {    1}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 25   and name HN  ))
      2.100     0.600     0.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.36618E-01 ppm1      4.307 ppm2      8.296 CV     1
 ASSI {    4}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      1.900     1.900     4.100 peak     4 spectrum    1 weight  0.10000E+01 volume  0.33872E-01 ppm1      4.481 ppm2      8.150 CV     1
 ASSI {    5}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      1.900     0.500     2.500 peak     5 spectrum    1 weight  0.10000E+01 volume  0.33155E-01 ppm1      4.467 ppm2      8.159 CV     1
 ASSI {    8}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      1.700     0.400     0.500 peak     8 spectrum    1 weight  0.10000E+01 volume  0.27031E-01 ppm1      4.493 ppm2      8.575 CV     1
 ASSI {   11}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.600     0.600 peak    11 spectrum    1 weight  0.10000E+01 volume  0.20906E-01 ppm1      3.862 ppm2      8.218 CV     1
 ASSI {   12}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HN  ))
      2.300     0.600     0.600 peak    12 spectrum    1 weight  0.10000E+01 volume  0.20357E-01 ppm1      1.507 ppm2      8.265 CV     1
 ASSI {   14}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.400     0.700     0.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.19302E-01 ppm1      4.450 ppm2      1.837 CV     1
 ASSI {   17}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.18077E-01 ppm1      1.268 ppm2      8.222 CV     1
 ASSI {   20}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      2.100     2.100     3.900 peak    20 spectrum    1 weight  0.10000E+01 volume  0.17612E-01 ppm1      1.858 ppm2      8.094 CV     1
 ASSI {   21}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      1.800     0.400     0.400 peak    21 spectrum    1 weight  0.10000E+01 volume  0.17401E-01 ppm1      2.081 ppm2      8.166 CV     1
 ASSI {   23}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HD1 ))
      1.900     0.500     0.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.17063E-01 ppm1      3.137 ppm2      7.339 CV     1
 ASSI {   24}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.000     0.500     0.500 peak    24 spectrum    1 weight  0.10000E+01 volume  0.16725E-01 ppm1      4.450 ppm2      1.754 CV     1
 ASSI {   25}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG2 ))
      2.600     0.800     0.800 peak    25 spectrum    1 weight  0.10000E+01 volume  0.16514E-01 ppm1      4.479 ppm2      1.628 CV     1
 OR {   25}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG1 ))
 ASSI {   26}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 29   and name HE% )
      2.400     2.400     3.600 peak    26 spectrum    1 weight  0.10000E+01 volume  0.16261E-01 ppm1      2.662 ppm2      6.678 CV     1
 ASSI {   28}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HD2 ))
      2.400     2.400     3.600 peak    28 spectrum    1 weight  0.10000E+01 volume  0.16218E-01 ppm1      2.595 ppm2      6.674 CV     1
 ASSI {   29}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.100     0.500     0.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.15965E-01 ppm1      4.322 ppm2      1.812 CV     1
 ASSI {   30}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      2.300     0.700     0.700 peak    30 spectrum    1 weight  0.10000E+01 volume  0.15923E-01 ppm1      1.377 ppm2      8.221 CV     1
 ASSI {   33}
   (( segid "    " and resid 39   and name HH2 ))
   (( segid "    " and resid 39   and name HE3 ))
      1.800     0.400     4.200 peak    33 spectrum    1 weight  0.10000E+01 volume  0.15416E-01 ppm1      7.084 ppm2      7.970 CV     1
 ASSI {   34}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HN  ))
      1.800     0.400     0.400 peak    34 spectrum    1 weight  0.10000E+01 volume  0.15078E-01 ppm1      1.366 ppm2      8.303 CV     1
 ASSI {   39}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG1 ))
      2.600     0.900     0.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.14276E-01 ppm1      4.309 ppm2      1.626 CV     1
 ASSI {   40}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.300     0.600     0.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.14191E-01 ppm1      4.454 ppm2      8.165 CV     1
 ASSI {   43}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.100     0.600     0.600 peak    43 spectrum    1 weight  0.10000E+01 volume  0.13853E-01 ppm1      4.481 ppm2      2.636 CV     1
 ASSI {   49}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.400     0.700     0.700 peak    49 spectrum    1 weight  0.10000E+01 volume  0.12459E-01 ppm1      4.402 ppm2      2.299 CV     1
 ASSI {   50}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      2.200     2.200     3.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.12333E-01 ppm1      4.500 ppm2      2.327 CV     1
 ASSI {   53}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      2.200     0.600     0.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.11952E-01 ppm1      2.258 ppm2      8.172 CV     1
 ASSI {   56}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.400     0.700     0.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.11361E-01 ppm1      4.289 ppm2      8.372 CV     1
 ASSI {   59}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak    59 spectrum    1 weight  0.10000E+01 volume  0.98407E-02 ppm1      1.755 ppm2      8.221 CV     1
 ASSI {   61}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 35   and name HD1 ))
      2.400     0.700     0.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.92918E-02 ppm1      2.981 ppm2      1.614 CV     1
 ASSI {   63}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.300     0.700     0.700 peak    63 spectrum    1 weight  0.10000E+01 volume  0.91651E-02 ppm1      4.448 ppm2      7.070 CV     1
 ASSI {   64}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.500     0.800     0.800 peak    64 spectrum    1 weight  0.10000E+01 volume  0.91229E-02 ppm1      2.848 ppm2      1.246 CV     1
 ASSI {   68}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.200     0.600     0.600 peak    68 spectrum    1 weight  0.10000E+01 volume  0.88693E-02 ppm1      4.452 ppm2      8.224 CV     1
 ASSI {   69}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.000     0.500     0.500 peak    69 spectrum    1 weight  0.10000E+01 volume  0.88693E-02 ppm1      4.140 ppm2      8.165 CV     1
 ASSI {   75}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HE22))
      3.100     1.200     1.200 peak    75 spectrum    1 weight  0.10000E+01 volume  0.84047E-02 ppm1      2.302 ppm2      6.938 CV     1
 ASSI {   77}
   (( segid "    " and resid 21   and name HE1 ))
   (( segid "    " and resid 21   and name HG1 ))
      2.600     0.800     0.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.84047E-02 ppm1      2.889 ppm2      1.313 CV     1
 ASSI {  101}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.300     0.700     0.700 peak   101 spectrum    1 weight  0.10000E+01 volume  0.58284E-02 ppm1      1.801 ppm2      8.570 CV     1
 ASSI {  105}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.300     0.700     0.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.55327E-02 ppm1      3.651 ppm2      7.077 CV     1
 ASSI {  107}
   (( segid "    " and resid 36   and name HE22))
   (( segid "    " and resid 36   and name HE21))
      1.800     0.400     0.400 peak   107 spectrum    1 weight  0.10000E+01 volume  0.54484E-02 ppm1      6.968 ppm2      7.541 CV     1
 ASSI {  112}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.300     1.300 peak   112 spectrum    1 weight  0.10000E+01 volume  0.51527E-02 ppm1      1.769 ppm2      8.094 CV     1
 ASSI {  114}
   (( segid "    " and resid 17   and name HH2 ))
   (( segid "    " and resid 17   and name HE3 ))
      3.300     1.300     1.300 peak   114 spectrum    1 weight  0.10000E+01 volume  0.49838E-02 ppm1      7.014 ppm2      7.299 CV     1
 ASSI {  115}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.300     1.300     1.300 peak   115 spectrum    1 weight  0.10000E+01 volume  0.49838E-02 ppm1      2.103 ppm2      7.932 CV     1
 ASSI {  117}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.500     0.800     0.800 peak   117 spectrum    1 weight  0.10000E+01 volume  0.48148E-02 ppm1      3.000 ppm2      1.248 CV     1
 ASSI {  122}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.46881E-02 ppm1      4.187 ppm2      9.396 CV     1
 ASSI {  131}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HD2 ))
      2.800     1.000     1.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.41051E-02 ppm1      1.248 ppm2      6.676 CV     1
 ASSI {  135}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HB1 ))
      3.300     1.300     1.300 peak   135 spectrum    1 weight  0.10000E+01 volume  0.40039E-02 ppm1      3.653 ppm2      2.364 CV     1
 ASSI {  142}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
      3.100     1.200     1.200 peak   142 spectrum    1 weight  0.10000E+01 volume  0.36238E-02 ppm1      1.842 ppm2      8.221 CV     1
 ASSI {  146}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HB1 ))
      3.300     1.400     1.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.35224E-02 ppm1      3.640 ppm2      2.303 CV     1
 ASSI {  154}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.100     1.100 peak   154 spectrum    1 weight  0.10000E+01 volume  0.32310E-02 ppm1      2.001 ppm2      8.575 CV     1
 ASSI {  161}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HG1 ))
      2.400     0.700     0.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.30114E-02 ppm1      3.652 ppm2      1.842 CV     1
 ASSI {  165}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak   165 spectrum    1 weight  0.10000E+01 volume  0.28762E-02 ppm1      4.297 ppm2      8.221 CV     1
 ASSI {  168}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 32   and name HG2%)
      2.800     1.000     1.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.27664E-02 ppm1      4.287 ppm2      1.357 CV     1
 ASSI {  174}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.800     1.000     1.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.26017E-02 ppm1      4.484 ppm2      1.976 CV     1
 ASSI {  185}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.800     0.800 peak   185 spectrum    1 weight  0.10000E+01 volume  0.24538E-02 ppm1      4.252 ppm2      7.730 CV     1
 ASSI {  186}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HG1 ))
      3.200     1.300     1.300 peak   186 spectrum    1 weight  0.10000E+01 volume  0.24538E-02 ppm1      1.365 ppm2      0.996 CV     1
 ASSI {  196}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB  ))
      2.700     0.900     0.900 peak   196 spectrum    1 weight  0.10000E+01 volume  0.23736E-02 ppm1      4.134 ppm2      2.069 CV     1
 ASSI {  203}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.500     1.600     1.600 peak   203 spectrum    1 weight  0.10000E+01 volume  0.22300E-02 ppm1      2.033 ppm2      7.933 CV     1
 ASSI {  209}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.20400E-02 ppm1      2.015 ppm2      8.115 CV     1
 ASSI {  219}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HE  ))
      3.100     1.200     1.200 peak   219 spectrum    1 weight  0.10000E+01 volume  0.19006E-02 ppm1      1.649 ppm2      7.181 CV     1
 ASSI {  231}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 29   and name HD% )
      2.900     1.000     1.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.17359E-02 ppm1      2.648 ppm2      6.774 CV     1
 ASSI {  233}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.800     1.800     1.800 peak   233 spectrum    1 weight  0.10000E+01 volume  0.17147E-02 ppm1      2.295 ppm2      1.167 CV     1
 ASSI {  242}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.15627E-02 ppm1      5.153 ppm2      8.261 CV     1
 ASSI {  252}
   (( segid "    " and resid 17   and name HZ3 ))
   (( segid "    " and resid 17   and name HE3 ))
      2.900     1.100     1.100 peak   252 spectrum    1 weight  0.10000E+01 volume  0.13980E-02 ppm1      6.942 ppm2      7.298 CV     1
 ASSI {  253}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HB1 ))
      3.700     1.800     1.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.13938E-02 ppm1      2.287 ppm2      1.235 CV     1
 OR {  253}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  255}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HB1 ))
      3.600     1.600     1.600 peak   255 spectrum    1 weight  0.10000E+01 volume  0.13853E-02 ppm1      2.295 ppm2      1.237 CV     1
 ASSI {  258}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
      3.700     1.700     1.700 peak   258 spectrum    1 weight  0.10000E+01 volume  0.13009E-02 ppm1      1.628 ppm2      8.260 CV     1
 ASSI {  269}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HZ3 ))
      4.000     2.000     2.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.12206E-02 ppm1      3.656 ppm2      6.908 CV     1
 ASSI {  273}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 29   and name HN  ))
      2.900     2.900     3.100 peak   273 spectrum    1 weight  0.10000E+01 volume  0.11784E-02 ppm1      6.788 ppm2      8.928 CV     1
 ASSI {  276}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.000     1.100     1.100 peak   276 spectrum    1 weight  0.10000E+01 volume  0.11657E-02 ppm1      2.660 ppm2      9.389 CV     1
 ASSI {  280}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 8    and name HN  ))
      3.500     1.500     1.500 peak   280 spectrum    1 weight  0.10000E+01 volume  0.11319E-02 ppm1      1.379 ppm2      8.375 CV     1
 ASSI {  282}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HN  ))
      3.800     1.800     1.800 peak   282 spectrum    1 weight  0.10000E+01 volume  0.11235E-02 ppm1      1.816 ppm2      8.397 CV     1
 ASSI {  286}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.900     1.100     1.100 peak   286 spectrum    1 weight  0.10000E+01 volume  0.11108E-02 ppm1      2.995 ppm2      1.355 CV     1
 ASSI {  293}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      3.900     1.900     1.900 peak   293 spectrum    1 weight  0.10000E+01 volume  0.10812E-02 ppm1      1.255 ppm2      9.396 CV     1
 ASSI {  299}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      3.200     1.300     1.300 peak   299 spectrum    1 weight  0.10000E+01 volume  0.10136E-02 ppm1      1.731 ppm2      8.399 CV     1
 ASSI {  309}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.900     1.900     1.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.91229E-03 ppm1      4.481 ppm2      7.786 CV     1
 ASSI {  313}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      4.200     2.300     1.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.87851E-03 ppm1      3.132 ppm2      8.121 CV     1
 ASSI {  320}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.800     1.800     1.800 peak   320 spectrum    1 weight  0.10000E+01 volume  0.84894E-03 ppm1      4.401 ppm2      2.048 CV     1
 ASSI {  325}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HE22))
      3.900     1.900     1.900 peak   325 spectrum    1 weight  0.10000E+01 volume  0.81090E-03 ppm1      2.065 ppm2      7.007 CV     1
 ASSI {  346}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak   346 spectrum    1 weight  0.10000E+01 volume  0.72223E-03 ppm1      4.449 ppm2      9.381 CV     1
 ASSI {  346}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak   346 spectrum    1 weight  0.10000E+01 volume  0.72223E-03 ppm1      4.449 ppm2      9.381 CV     1
 ASSI {  347}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.000     1.100     1.100 peak   347 spectrum    1 weight  0.10000E+01 volume  0.70955E-03 ppm1      4.429 ppm2      8.377 CV     1
 ASSI {  359}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HD1 ))
      4.200     2.200     1.800 peak   359 spectrum    1 weight  0.10000E+01 volume  0.66308E-03 ppm1      3.614 ppm2      1.590 CV     1
 ASSI {  369}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HD% )
      3.600     1.600     1.600 peak   369 spectrum    1 weight  0.10000E+01 volume  0.62087E-03 ppm1      5.279 ppm2      6.774 CV     1
 ASSI {  390}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.600     1.600     1.600 peak   390 spectrum    1 weight  0.10000E+01 volume  0.51106E-03 ppm1      2.999 ppm2      8.221 CV     1
 ASSI {  401}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG1 ))
      3.400     1.400     1.400 peak   401 spectrum    1 weight  0.10000E+01 volume  0.47302E-03 ppm1      5.151 ppm2      1.311 CV     1
 ASSI {  405}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HE21))
      4.300     2.300     1.700 peak   405 spectrum    1 weight  0.10000E+01 volume  0.45613E-03 ppm1      2.310 ppm2      7.541 CV     1
 ASSI {  410}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HD1 ))
      5.100     3.300     0.900 peak   410 spectrum    1 weight  0.10000E+01 volume  0.43923E-03 ppm1      3.644 ppm2      7.339 CV     1
 ASSI {  421}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HD21))
      4.000     2.000     2.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.42234E-03 ppm1      2.276 ppm2      6.643 CV     1
 ASSI {  429}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HE% )
      5.000     3.200     1.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.38265E-03 ppm1      5.278 ppm2      6.676 CV     1
 ASSI {  453}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HB2 ))
      4.700     2.800     1.300 peak   453 spectrum    1 weight  0.10000E+01 volume  0.33450E-03 ppm1      3.163 ppm2      1.727 CV     1
 ASSI {  474}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 35   and name HB2 ))
      5.600     4.000     0.400 peak   474 spectrum    1 weight  0.10000E+01 volume  0.28467E-03 ppm1      2.949 ppm2      2.007 CV     1
 ASSI {  502}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      4.000     2.000     2.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.24876E-03 ppm1      5.158 ppm2      8.125 CV     1
 ASSI {  538}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      4.900     3.000     1.100 peak   538 spectrum    1 weight  0.10000E+01 volume  0.18330E-03 ppm1      4.492 ppm2      8.499 CV     1
 ASSI {  549}
   (( segid "    " and resid 39   and name HZ2 ))
   (( segid "    " and resid 39   and name HE3 ))
      5.900     4.400     0.100 peak   549 spectrum    1 weight  0.10000E+01 volume  0.17359E-03 ppm1      7.347 ppm2      7.972 CV     1
 ASSI {  567}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      4.800     2.900     1.200 peak   567 spectrum    1 weight  0.10000E+01 volume  0.15965E-03 ppm1      2.654 ppm2      5.265 CV     1
 ASSI {  571}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HN  ))
      5.600     4.000     0.400 peak   571 spectrum    1 weight  0.10000E+01 volume  0.15373E-03 ppm1      1.623 ppm2      8.396 CV     1
 ASSI {  577}
   (( segid "    " and resid 17   and name HZ3 ))
   (( segid "    " and resid 17   and name HZ2 ))
      6.000     4.900     0.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.15078E-03 ppm1      6.936 ppm2      7.455 CV     1
 ASSI {  580}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HZ3 ))
      6.000     5.000     0.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.14740E-03 ppm1      5.020 ppm2      6.918 CV     1
 ASSI {  647}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HZ3 ))
      6.000     5.600     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.11066E-03 ppm1      3.126 ppm2      6.916 CV     1
 ASSI {  660}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HD2 ))
      5.400     3.700     0.600 peak   660 spectrum    1 weight  0.10000E+01 volume  0.10390E-03 ppm1      3.960 ppm2      2.275 CV     1
 ASSI {  702}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HZ3 ))
      6.000     6.000     0.000 peak   702 spectrum    1 weight  0.10000E+01 volume  0.86162E-04 ppm1      3.031 ppm2      6.925 CV     1
 ASSI {  750}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HZ2 ))
      6.000     6.000     0.000 peak   750 spectrum    1 weight  0.10000E+01 volume  0.65041E-04 ppm1      3.688 ppm2      7.293 CV     1
 ASSI {  751}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     5.000     0.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.64619E-04 ppm1      3.882 ppm2      8.637 CV     1
 ASSI {  783}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     5.900     0.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.53216E-04 ppm1      1.647 ppm2      8.562 CV     1

! Ambiguous distance restraints

 ASSI {  164}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 23   and name HB2 ))
      3.500     3.500     2.500 peak   164 spectrum    1 weight  0.10000E+01 volume  0.14898E-02 ppm1      2.391 ppm2      1.775 CV     1
 OR {  164}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 19   and name HB1 ))
 OR {  164}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  215}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.900     1.900     1.900 peak   215 spectrum    1 weight  0.10000E+01 volume  0.71457E-03 ppm1      4.095 ppm2      2.083 CV     1
 OR {  215}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
 OR {  215}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI {  220}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
      4.500     2.600     1.500 peak   220 spectrum    1 weight  0.10000E+01 volume  0.65523E-03 ppm1      0.867 ppm2      4.460 CV     1
 OR {  220}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
 ASSI {  225}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 25   and name HA2 ))
      3.400     1.400     1.400 peak   225 spectrum    1 weight  0.10000E+01 volume  0.60007E-03 ppm1      1.626 ppm2      3.611 CV     1
 OR {  225}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 23   and name HD1 ))
 ASSI {  250}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 28   and name HA  ))
      3.900     1.900     1.900 peak   250 spectrum    1 weight  0.10000E+01 volume  0.39729E-03 ppm1      1.969 ppm2      4.819 CV     1
 OR {  250}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  264}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 4    and name HD1 ))
      4.900     2.900     1.100 peak   264 spectrum    1 weight  0.10000E+01 volume  0.32417E-03 ppm1      1.592 ppm2      3.168 CV     1
 OR {  264}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI {  270}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      4.500     2.500     1.500 peak   270 spectrum    1 weight  0.10000E+01 volume  0.30210E-03 ppm1      5.186 ppm2      1.294 CV     1
 OR {  270}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  277}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 17   and name HE3 ))
      4.900     2.900     1.100 peak   277 spectrum    1 weight  0.10000E+01 volume  0.28141E-03 ppm1      1.084 ppm2      7.355 CV     1
 OR {  277}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HD1 ))
 ASSI {  280}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 39   and name HB1 ))
      4.600     2.700     1.400 peak   280 spectrum    1 weight  0.10000E+01 volume  0.26899E-03 ppm1      2.390 ppm2      3.642 CV     1
 OR {  280}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 23   and name HD1 ))
! ASSI {  287}
!  (( segid "    " and resid 29   and name HA  ))
!   (( segid "    " and resid 4    and name HB1 ))
!      4.100     2.100     1.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.22899E-03 ppm1      5.305 ppm2      1.840 CV     1
 OR {  287}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  303}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      5.200     3.400     0.800 peak   303 spectrum    1 weight  0.10000E+01 volume  0.16553E-03 ppm1      5.040 ppm2      1.771 CV     1
 OR {  303}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  306}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      5.000     3.200     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.16415E-03 ppm1      3.705 ppm2      2.092 CV     1
 OR {  306}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  311}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      4.800     2.900     1.200 peak   311 spectrum    1 weight  0.10000E+01 volume  0.15588E-03 ppm1      4.397 ppm2      6.947 CV     1
 OR {  311}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 17   and name HZ3 ))
 ASSI {  322}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 25   and name HA2 ))
      4.800     2.900     1.200 peak   322 spectrum    1 weight  0.10000E+01 volume  0.13311E-03 ppm1      1.334 ppm2      3.612 CV     1
 OR {  322}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 23   and name HD1 ))
 ASSI {  326}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 17   and name HH2 ))
      5.600     3.900     0.400 peak   326 spectrum    1 weight  0.10000E+01 volume  0.11505E-03 ppm1      4.232 ppm2      6.998 CV     1
 OR {  326}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 17   and name HH2 ))
 ASSI {  359}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 36   and name HA  ))
      6.000     6.000     0.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.10829E-04 ppm1      6.923 ppm2      4.385 CV     1
 OR {  359}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  367}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 34   and name HB  ))
      5.500     3.800     0.500 peak   367 spectrum    1 weight  0.10000E+01 volume  0.61111E-04 ppm1      7.484 ppm2      4.234 CV     1
 OR {  367}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 38   and name HB  ))
 ASSI {  375}
   (( segid "    " and resid 17   and name HH2 ))
   (( segid "    " and resid 40   and name HG1 ))
      5.200     3.300     0.800 peak   375 spectrum    1 weight  0.10000E+01 volume  0.88835E-04 ppm1      7.023 ppm2      2.277 CV     1
 OR {  375}
   (( segid "    " and resid 17   and name HH2 ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  378}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 31   and name HB1 ))
      5.700     4.000     0.300 peak   378 spectrum    1 weight  0.10000E+01 volume  0.10070E-03 ppm1      7.326 ppm2      2.249 CV     1
 OR {  378}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 40   and name HG1 ))
 OR {  378}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 42   and name HD2 ))
 ASSI {  380}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 31   and name HB1 ))
      5.300     3.500     0.700 peak   380 spectrum    1 weight  0.10000E+01 volume  0.10318E-03 ppm1      7.480 ppm2      2.264 CV     1
 OR {  380}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 40   and name HG1 ))
 ASSI {  381}
   (( segid "    " and resid 39   and name HH2 ))
   (( segid "    " and resid 28   and name HB1 ))
      5.000     3.100     1.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.10677E-03 ppm1      7.088 ppm2      2.374 CV     1
 OR {  381}
   (( segid "    " and resid 39   and name HH2 ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  384}
   (( segid "    " and resid 39   and name HE3 ))
   (( segid "    " and resid 26   and name HG1 ))
      4.300     2.300     1.700 peak   384 spectrum    1 weight  0.10000E+01 volume  0.10760E-03 ppm1      8.003 ppm2      1.632 CV     1
 OR {  384}
   (( segid "    " and resid 39   and name HE3 ))
   (( segid "    " and resid 4    and name HG1 ))
 ASSI {  400}
   (( segid "    " and resid 39   and name HH2 ))
   (( segid "    " and resid 26   and name HD1 ))
      4.400     2.400     1.600 peak   400 spectrum    1 weight  0.10000E+01 volume  0.18484E-03 ppm1      7.104 ppm2      2.744 CV     1
 OR {  400}
   (( segid "    " and resid 39   and name HH2 ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  424}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 19   and name HA  ))
      4.300     2.400     1.700 peak   424 spectrum    1 weight  0.10000E+01 volume  0.42487E-03 ppm1      6.801 ppm2      4.459 CV     1
 OR {  424}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 40   and name HA  ))
 ASSI {  426}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 23   and name HD1 ))
      3.300     1.400     1.400 peak   426 spectrum    1 weight  0.10000E+01 volume  0.45521E-03 ppm1      6.371 ppm2      3.643 CV     1
 OR {  426}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 39   and name HB1 ))
 ASSI {  468}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      2.700     2.700     3.300 peak   468 spectrum    1 weight  0.10000E+01 volume  0.48003E-02 ppm1      1.263 ppm2      4.464 CV     1
 OR {  468}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
 ASSI {    8}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.900     2.900     3.100 peak     8 spectrum    1 weight  0.10000E+01 volume  0.92214E-02 ppm1      8.327 ppm2      1.792 CV     1
 OR {    8}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  100}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.500     1.500     1.500 peak   100 spectrum    1 weight  0.10000E+01 volume  0.17256E-02 ppm1      8.678 ppm2      9.428 CV     1
 OR {  100}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  103}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 17   and name HZ3 ))
      3.300     1.400     1.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.15909E-02 ppm1      8.205 ppm2      6.975 CV     1
 OR {  103}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 36   and name HE22))
 ASSI {  112}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.400     1.500     1.500 peak   112 spectrum    1 weight  0.10000E+01 volume  0.14021E-02 ppm1      8.234 ppm2      1.816 CV     1
 OR {  112}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  115}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG1 ))
      3.500     1.500     1.500 peak   115 spectrum    1 weight  0.10000E+01 volume  0.13428E-02 ppm1      8.769 ppm2      1.635 CV     1
 OR {  115}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 4    and name HG1 ))
 ASSI {  120}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      4.000     2.000     2.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.12565E-02 ppm1      8.357 ppm2      2.031 CV     1
 OR {  120}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 OR {  120}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 16   and name HE% )
 ASSI {  138}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.100     2.100     1.900 peak   138 spectrum    1 weight  0.10000E+01 volume  0.10084E-02 ppm1      8.588 ppm2      2.661 CV     1
 OR {  138}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI {  141}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 28   and name HD% )
      3.800     1.800     1.800 peak   141 spectrum    1 weight  0.10000E+01 volume  0.97067E-03 ppm1      9.402 ppm2      6.778 CV     1
 OR {  141}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 29   and name HD% )
 ASSI {  143}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
      4.600     2.700     1.400 peak   143 spectrum    1 weight  0.10000E+01 volume  0.97067E-03 ppm1      7.850 ppm2      3.651 CV     1
 OR {  143}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HD1 ))
 ASSI {  149}
   (( segid "    " and resid 12    and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      4.000     2.000     2.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.87901E-03 ppm1      8.231 ppm2      1.419 CV     1
 OR {  149}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
 ASSI {  182}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     3.100     2.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.66868E-03 ppm1      8.524 ppm2      7.953 CV     1
 OR {  182}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HE3 ))
 ASSI {  184}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.500     1.600     1.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.64711E-03 ppm1      9.424 ppm2      2.699 CV     1
 OR {  184}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  203}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.800     1.800     1.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.52147E-03 ppm1      8.493 ppm2      1.854 CV     1
 OR {  203}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  212}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      5.000     3.200     1.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.45678E-03 ppm1      9.380 ppm2      2.000 CV     1
 OR {  212}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HG1 ))
 ASSI {  231}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
      3.400     3.400     2.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.34783E-03 ppm1      8.686 ppm2      1.355 CV     1
 OR {  231}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 8    and name HB% )
 OR {  231}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
 ASSI {  234}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.700     2.800     1.300 peak   234 spectrum    1 weight  0.10000E+01 volume  0.33111E-03 ppm1      8.688 ppm2      4.505 CV     1
 OR {  234}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  241}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.700     2.700     1.300 peak   241 spectrum    1 weight  0.10000E+01 volume  0.29714E-03 ppm1      9.257 ppm2      8.506 CV     1
 OR {  241}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  245}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      5.000     3.100     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.28204E-03 ppm1      9.378 ppm2      8.339 CV     1
 OR {  245}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  249}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      5.000     3.100     1.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.26478E-03 ppm1      9.422 ppm2      8.161 CV     1
 OR {  249}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  259}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 29   and name HD% )
      5.400     3.700     0.600 peak   259 spectrum    1 weight  0.10000E+01 volume  0.23782E-03 ppm1      8.678 ppm2      6.760 CV     1
 OR {  259}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 28   and name HD% )
 ASSI {  262}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.500     3.500     2.500 peak   262 spectrum    1 weight  0.10000E+01 volume  0.22272E-03 ppm1      8.357 ppm2      4.784 CV     1
 OR {  262}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  273}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 43   and name HN  ))
      4.800     2.800     1.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.19683E-03 ppm1     10.333 ppm2      8.183 CV     1
 OR {  273}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  282}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      5.500     3.700     0.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.18443E-03 ppm1      8.588 ppm2      9.388 CV     1
 OR {  282}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  292}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      5.100     3.200     0.900 peak   292 spectrum    1 weight  0.10000E+01 volume  0.16933E-03 ppm1      9.404 ppm2      4.810 CV     1
 OR {  292}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  301}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      5.200     3.400     0.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.14938E-03 ppm1      8.357 ppm2      6.941 CV     1
 OR {  301}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 17   and name HZ3 ))
 ASSI {  320}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 28   and name HD% )
      6.000     5.100     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.83047E-04 ppm1      8.327 ppm2      6.748 CV     1
 OR {  320}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))

!dihedral restraints from chemical shifts

! CSI restraints, converted by ARIA
! Phi:

! dihedral angle file generated by Csi2Aria.py

! CSI derived phi restraint:
assign (resid 16 and name C)
       (resid 17 and name N)
       (resid 17 and name CA)
       (resid 17 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 17 and name C)
       (resid 18 and name N)
       (resid 18 and name CA)
       (resid 18 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 18 and name C)
       (resid 19 and name N)
       (resid 19 and name CA)
       (resid 19 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 19 and name C)
       (resid 20 and name N)
       (resid 20 and name CA)
       (resid 20 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 25 and name C)
       (resid 26 and name N)
       (resid 26 and name CA)
       (resid 26 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 26 and name C)
       (resid 27 and name N)
       (resid 27 and name CA)
       (resid 27 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 27 and name C)
       (resid 28 and name N)
       (resid 28 and name CA)
       (resid 28 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 28 and name C)
       (resid 29 and name N)
       (resid 29 and name CA)
       (resid 29 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 29 and name C)
       (resid 30 and name N)
       (resid 30 and name CA)
       (resid 30 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 35 and name C)
       (resid 36 and name N)
       (resid 36 and name CA)
       (resid 36 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 36 and name C)
       (resid 37 and name N)
       (resid 37 and name CA)
       (resid 37 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 37 and name C)
       (resid 38 and name N)
       (resid 38 and name CA)
       (resid 38 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 38 and name C)
       (resid 39 and name N)
       (resid 39 and name CA)
       (resid 39 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 39 and name C)
       (resid 40 and name N)
       (resid 40 and name CA)
       (resid 40 and name C)
       1.0 -135  30 2



! Psi:

! dihedral angle file generated by Csi2Aria.py

! CSI derived psi restraint:
assign (resid 17 and name N)
       (resid 17 and name CA)
       (resid 17 and name C)
       (resid 18 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 18 and name N)
       (resid 18 and name CA)
       (resid 18 and name C)
       (resid 19 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 19 and name N)
       (resid 19 and name CA)
       (resid 19 and name C)
       (resid 20 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 20 and name N)
       (resid 20 and name CA)
       (resid 20 and name C)
       (resid 21 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 26 and name N)
       (resid 26 and name CA)
       (resid 26 and name C)
       (resid 27 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 27 and name N)
       (resid 27 and name CA)
       (resid 27 and name C)
       (resid 28 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 28 and name N)
       (resid 28 and name CA)
       (resid 28 and name C)
       (resid 29 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 29 and name N)
       (resid 29 and name CA)
       (resid 29 and name C)
       (resid 30 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 30 and name N)
       (resid 30 and name CA)
       (resid 30 and name C)
       (resid 31 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 36 and name N)
       (resid 36 and name CA)
       (resid 36 and name C)
       (resid 37 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 37 and name N)
       (resid 37 and name CA)
       (resid 37 and name C)
       (resid 38 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 38 and name N)
       (resid 38 and name CA)
       (resid 38 and name C)
       (resid 39 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 39 and name N)
       (resid 39 and name CA)
       (resid 39 and name C)
       (resid 40 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 40 and name N)
       (resid 40 and name CA)
       (resid 40 and name C)
       (resid 41 and name N)
       1.0 135  30 2


! Hydrogen Bonds

assign (resid 32 and name HN) (resid 16 and name O) 1.8 0.3 0.3
assign (resid 32 and name  N) (resid 16 and name O) 2.8 0.3 0.3
assign (resid 18 and name HN) (resid 30 and name O) 1.8 0.3 0.3
assign (resid 18 and name  N) (resid 30 and name O) 2.8 0.3 0.3
assign (resid 30 and name HN) (resid 18 and name O) 1.8 0.3 0.3
assign (resid 30 and name  N) (resid 18 and name O) 2.8 0.3 0.3
assign (resid 20 and name HN) (resid 28 and name O) 1.8 0.3 0.3
assign (resid 20 and name  N) (resid 28 and name O) 2.8 0.3 0.3
assign (resid 28 and name HN) (resid 20 and name O) 1.8 0.3 0.3
assign (resid 28 and name  N) (resid 20 and name O) 2.8 0.3 0.3
assign (resid 26 and name HN) (resid 22 and name O) 1.8 0.3 0.3
assign (resid 26 and name  N) (resid 22 and name O) 2.8 0.3 0.3
assign (resid 22 and name HN) (resid 26 and name O) 1.8 0.3 0.3
assign (resid 22 and name  N) (resid 26 and name O) 2.8 0.3 0.3
assign (resid 36 and name HN) (resid 31 and name O) 1.8 0.3 0.3
assign (resid 36 and name  N) (resid 31 and name O) 2.8 0.3 0.3
assign (resid 31 and name HN) (resid 36 and name O) 1.8 0.3 0.3
assign (resid 31 and name  N) (resid 36 and name O) 2.8 0.3 0.3
assign (resid 29 and name HN) (resid 38 and name O) 1.8 0.3 0.3
assign (resid 29 and name  N) (resid 38 and name O) 2.8 0.3 0.3
assign (resid 38 and name HN) (resid 29 and name O) 1.8 0.3 0.3
assign (resid 38 and name  N) (resid 29 and name O) 2.8 0.3 0.3

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    SER  15           H        SER  15  -8.843  -3.252  -2.717
    2    HA   SER  15           HA       SER  15 -10.829  -3.074  -4.774
    3   1HB   SER  15          2HB       SER  15 -11.354  -4.750  -2.318
    4   2HB   SER  15          1HB       SER  15 -12.644  -4.092  -3.325
    5    HG   SER  15           HG       SER  15 -12.315  -5.675  -4.651
    6    H    MET  16           H        MET  16 -10.397  -2.861  -1.250
    7    HA   MET  16           HA       MET  16 -11.910  -0.366  -1.200
    8   1HB   MET  16          2HB       MET  16 -10.794  -2.106   1.002
    9   2HB   MET  16          1HB       MET  16 -11.624  -0.584   1.289
   10   1HG   MET  16          2HG       MET  16 -13.652  -1.459   0.334
   11   2HG   MET  16          1HG       MET  16 -12.833  -2.953  -0.118
   12   1HE   MET  16          1HE       MET  16 -13.417  -1.705   4.290
   13   2HE   MET  16          2HE       MET  16 -13.844  -0.666   2.930
   14   3HE   MET  16          3HE       MET  16 -12.153  -1.051   3.250
   15    H    TRP  17           H        TRP  17  -8.700  -1.418  -1.405
   16    HA   TRP  17           HA       TRP  17  -7.683   1.092  -0.267
   17   1HB   TRP  17          2HB       TRP  17  -6.077  -1.350  -1.028
   18   2HB   TRP  17          1HB       TRP  17  -5.518   0.051  -0.122
   19    HD1  TRP  17           HD       TRP  17  -8.268  -2.670   0.345
   20    HE1  TRP  17           1HE      TRP  17  -8.287  -3.309   2.837
   21    HE3  TRP  17           3HE      TRP  17  -4.666   0.526   2.009
   22    HZ2  TRP  17           2HZ      TRP  17  -6.951  -2.541   5.208
   23    HZ3  TRP  17           3HZ      TRP  17  -4.087   0.517   4.397
   24    HH2  TRP  17           HH       TRP  17  -5.203  -0.987   5.968
   25    H    THR  18           H        THR  18  -6.309   2.405  -1.402
   26    HA   THR  18           HA       THR  18  -5.967   1.837  -4.262
   27    HB   THR  18           HB       THR  18  -6.494   4.621  -3.217
   28    HG1  THR  18           1HG      THR  18  -8.397   2.831  -4.367
   29   1HG2  THR  18          1HG2      THR  18  -5.390   4.379  -5.414
   30   2HG2  THR  18          2HG2      THR  18  -6.990   5.108  -5.544
   31   3HG2  THR  18          3HG2      THR  18  -6.755   3.414  -5.973
   32    H    GLU  19           H        GLU  19  -3.809   1.628  -4.560
   33    HA   GLU  19           HA       GLU  19  -2.039   3.141  -2.804
   34   1HB   GLU  19          2HB       GLU  19  -0.362   1.531  -3.213
   35   2HB   GLU  19          1HB       GLU  19  -1.858   0.641  -2.981
   36   1HG   GLU  19          2HG       GLU  19  -0.579   1.270  -5.633
   37   2HG   GLU  19          1HG       GLU  19  -0.530  -0.282  -4.799
   38    H    HIS  20           H        HIS  20  -0.357   4.352  -3.449
   39    HA   HIS  20           HA       HIS  20   0.223   4.801  -6.258
   40   1HB   HIS  20          2HB       HIS  20  -0.702   7.082  -4.492
   41   2HB   HIS  20          1HB       HIS  20  -0.146   7.216  -6.155
   42    HD1  HIS  20           1HD      HIS  20  -1.777   6.379  -8.015
   43    HD2  HIS  20           2HD      HIS  20  -3.350   6.316  -4.167
   44    HE1  HIS  20           1HE      HIS  20  -4.260   6.112  -8.308
   45    HE2  HIS  20           2HE      HIS  20  -5.199   6.198  -5.973
   46    H    LYS  21           H        LYS  21   2.228   5.979  -6.560
   47    HA   LYS  21           HA       LYS  21   4.281   5.369  -4.861
   48   1HB   LYS  21          2HB       LYS  21   4.172   7.828  -6.612
   49   2HB   LYS  21          1HB       LYS  21   5.620   7.001  -6.046
   50   1HG   LYS  21          2HG       LYS  21   5.562   5.923  -7.990
   51   2HG   LYS  21          1HG       LYS  21   4.241   4.999  -7.271
   52   1HD   LYS  21          2HD       LYS  21   2.626   6.592  -8.210
   53   2HD   LYS  21          1HD       LYS  21   3.954   7.489  -8.951
   54   1HE   LYS  21          2HE       LYS  21   3.184   4.630  -9.531
   55   2HE   LYS  21          1HE       LYS  21   2.890   6.020 -10.576
   56   1HZ   LYS  21          1HZ       LYS  21   4.829   4.786 -11.293
   57   2HZ   LYS  21          2HZ       LYS  21   5.556   4.981  -9.780
   58   3HZ   LYS  21          3HZ       LYS  21   5.285   6.328 -10.766
   59    H    SER  22           H        SER  22   5.629   6.647  -3.496
   60    HA   SER  22           HA       SER  22   4.834   9.151  -2.436
   61   1HB   SER  22          2HB       SER  22   3.663   6.761  -1.262
   62   2HB   SER  22          1HB       SER  22   4.587   7.685  -0.077
   63    HG   SER  22           HG       SER  22   2.701   8.893  -1.804
   64    HA   PRO  23           HA       PRO  23   8.792   9.749  -0.485
   65   1HB   PRO  23          2HB       PRO  23   7.883   8.562   2.078
   66   2HB   PRO  23          1HB       PRO  23   8.683  10.103   1.770
   67   1HG   PRO  23          2HG       PRO  23   5.924   9.675   2.163
   68   2HG   PRO  23          1HG       PRO  23   6.703  11.173   1.633
   69   1HD   PRO  23          2HD       PRO  23   4.959   9.577   0.125
   70   2HD   PRO  23          1HD       PRO  23   5.989  10.873  -0.499
   71    H    ASP  24           H        ASP  24  10.669   8.630  -0.087
   72    HA   ASP  24           HA       ASP  24  12.124   6.894   0.071
   73   1HB   ASP  24          2HB       ASP  24  10.663   6.076   1.932
   74   2HB   ASP  24          1HB       ASP  24   9.758   5.134   0.752
   75    H    GLY  25           H        GLY  25   9.641   7.172  -2.079
   76   1HA   GLY  25          2HA       GLY  25   9.514   6.585  -4.300
   77   2HA   GLY  25          1HA       GLY  25  11.054   5.762  -4.107
   78    H    ARG  26           H        ARG  26   7.939   5.302  -2.525
   79    HA   ARG  26           HA       ARG  26   7.639   2.708  -3.821
   80   1HB   ARG  26          2HB       ARG  26   6.947   1.825  -1.467
   81   2HB   ARG  26          1HB       ARG  26   8.645   1.869  -1.914
   82   1HG   ARG  26          2HG       ARG  26   8.742   4.113  -0.737
   83   2HG   ARG  26          1HG       ARG  26   7.156   3.716  -0.083
   84   1HD   ARG  26          2HD       ARG  26   9.658   2.077   0.247
   85   2HD   ARG  26          1HD       ARG  26   8.928   3.113   1.469
   86    HE   ARG  26           HE       ARG  26   7.198   1.048   0.429
   87   1HH1  ARG  26          1HH1      ARG  26   9.497   1.960   2.884
   88   2HH1  ARG  26          2HH1      ARG  26   8.973   0.749   4.007
   89   1HH2  ARG  26          1HH2      ARG  26   6.503  -0.550   1.904
   90   2HH2  ARG  26          2HH2      ARG  26   7.272  -0.676   3.450
   91    H    THR  27           H        THR  27   5.423   1.781  -3.305
   92    HA   THR  27           HA       THR  27   3.534   4.031  -3.330
   93    HB   THR  27           HB       THR  27   3.408   2.768  -5.363
   94    HG1  THR  27           1HG      THR  27   1.382   3.249  -3.912
   95   1HG2  THR  27          1HG2      THR  27   3.023   0.339  -3.611
   96   2HG2  THR  27          2HG2      THR  27   4.408   0.682  -4.647
   97   3HG2  THR  27          3HG2      THR  27   2.828   0.361  -5.364
   98    H    TYR  28           H        TYR  28   2.045   4.260  -1.810
   99    HA   TYR  28           HA       TYR  28   1.798   2.156   0.232
  100   1HB   TYR  28          2HB       TYR  28   1.084   3.847   1.758
  101   2HB   TYR  28          1HB       TYR  28   2.468   4.518   0.906
  102    HD1  TYR  28           1HD      TYR  28   2.073   6.186  -0.935
  103    HD2  TYR  28           2HD      TYR  28  -1.036   4.893   1.663
  104    HE1  TYR  28           1HE      TYR  28   0.731   8.140  -1.582
  105    HE2  TYR  28           2HE      TYR  28  -2.387   6.845   1.025
  106    HH   TYR  28           HH       TYR  28  -2.053   9.096   0.107
  107    H    TYR  29           H        TYR  29  -0.307   1.601   1.014
  108    HA   TYR  29           HA       TYR  29  -2.367   1.941  -1.046
  109   1HB   TYR  29          2HB       TYR  29  -2.591  -0.019   1.207
  110   2HB   TYR  29          1HB       TYR  29  -3.295  -0.100  -0.394
  111    HD1  TYR  29           1HD      TYR  29  -0.141  -0.489   1.504
  112    HD2  TYR  29           2HD      TYR  29  -2.159  -1.178  -2.178
  113    HE1  TYR  29           1HE      TYR  29   1.695  -1.955   0.778
  114    HE2  TYR  29           2HE      TYR  29  -0.328  -2.644  -2.913
  115    HH   TYR  29           HH       TYR  29   2.053  -3.810  -0.812
  116    H    TYR  30           H        TYR  30  -3.952   3.289  -0.656
  117    HA   TYR  30           HA       TYR  30  -4.456   4.136   2.103
  118   1HB   TYR  30          2HB       TYR  30  -4.013   6.084   0.961
  119   2HB   TYR  30          1HB       TYR  30  -4.662   5.475  -0.555
  120    HD1  TYR  30           1HD      TYR  30  -5.921   6.285   2.887
  121    HD2  TYR  30           2HD      TYR  30  -6.579   6.492  -1.311
  122    HE1  TYR  30           1HE      TYR  30  -7.997   7.542   3.282
  123    HE2  TYR  30           2HE      TYR  30  -8.656   7.750  -0.929
  124    HH   TYR  30           HH       TYR  30 -10.310   8.076   0.853
  125    H    ASN  31           H        ASN  31  -6.039   3.007   3.003
  126    HA   ASN  31           HA       ASN  31  -8.138   1.762   1.537
  127   1HB   ASN  31          2HB       ASN  31  -7.148   1.147   3.881
  128   2HB   ASN  31          1HB       ASN  31  -8.269   2.360   4.487
  129   1HD2  ASN  31          1HD2      ASN  31 -10.171   1.651   2.280
  130   2HD2  ASN  31          2HD2      ASN  31 -10.933   0.199   2.816
  131    H    THR  32           H        THR  32  -9.564   3.007   0.507
  132    HA   THR  32           HA       THR  32 -10.163   5.663   1.025
  133    HB   THR  32           HB       THR  32 -12.169   5.348  -0.375
  134    HG1  THR  32           1HG      THR  32 -11.658   2.684   0.256
  135   1HG2  THR  32          1HG2      THR  32 -11.011   4.597  -2.393
  136   2HG2  THR  32          2HG2      THR  32  -9.729   3.896  -1.407
  137   3HG2  THR  32          3HG2      THR  32  -9.970   5.643  -1.427
  138    H    GLU  33           H        GLU  33 -12.140   2.817   1.916
  139    HA   GLU  33           HA       GLU  33 -14.082   4.322   3.306
  140   1HB   GLU  33          2HB       GLU  33 -14.715   2.193   2.501
  141   2HB   GLU  33          1HB       GLU  33 -13.345   1.415   3.278
  142   1HG   GLU  33          2HG       GLU  33 -14.330   1.789   5.458
  143   2HG   GLU  33          1HG       GLU  33 -15.666   2.676   4.726
  144    H    THR  34           H        THR  34 -11.678   2.081   4.602
  145    HA   THR  34           HA       THR  34 -12.013   2.793   7.287
  146    HB   THR  34           HB       THR  34  -9.550   1.629   5.978
  147    HG1  THR  34           1HG      THR  34 -11.206   0.217   5.621
  148   1HG2  THR  34          1HG2      THR  34 -10.453   1.633   8.860
  149   2HG2  THR  34          2HG2      THR  34  -9.053   2.476   8.198
  150   3HG2  THR  34          3HG2      THR  34  -9.089   0.713   8.225
  151    H    LYS  35           H        LYS  35  -9.811   4.026   4.829
  152    HA   LYS  35           HA       LYS  35  -8.752   6.035   4.643
  153   1HB   LYS  35          2HB       LYS  35  -9.625   6.608   7.491
  154   2HB   LYS  35          1HB       LYS  35  -8.905   7.756   6.374
  155   1HG   LYS  35          2HG       LYS  35 -10.868   7.551   4.916
  156   2HG   LYS  35          1HG       LYS  35 -11.596   6.439   6.078
  157   1HD   LYS  35          2HD       LYS  35 -11.606   8.166   7.774
  158   2HD   LYS  35          1HD       LYS  35 -10.775   9.277   6.685
  159   1HE   LYS  35          2HE       LYS  35 -13.519   8.101   6.250
  160   2HE   LYS  35          1HE       LYS  35 -13.179   9.741   6.799
  161   1HZ   LYS  35          1HZ       LYS  35 -13.643   9.688   4.435
  162   2HZ   LYS  35          2HZ       LYS  35 -12.382   8.591   4.179
  163   3HZ   LYS  35          3HZ       LYS  35 -12.042  10.161   4.705
  164    H    GLN  36           H        GLN  36  -7.547   3.790   4.999
  165    HA   GLN  36           HA       GLN  36  -5.455   4.351   7.012
  166   1HB   GLN  36          2HB       GLN  36  -6.735   2.283   7.454
  167   2HB   GLN  36          1HB       GLN  36  -6.239   1.666   5.885
  168   1HG   GLN  36          2HG       GLN  36  -4.906   0.733   7.706
  169   2HG   GLN  36          1HG       GLN  36  -3.925   1.664   6.574
  170   1HE2  GLN  36          1HE2      GLN  36  -3.102   3.670   7.218
  171   2HE2  GLN  36          2HE2      GLN  36  -2.983   4.111   8.884
  172    H    SER  37           H        SER  37  -3.949   5.381   5.933
  173    HA   SER  37           HA       SER  37  -3.012   4.324   3.362
  174   1HB   SER  37          2HB       SER  37  -2.496   6.986   4.715
  175   2HB   SER  37          1HB       SER  37  -1.804   6.503   3.168
  176    HG   SER  37           HG       SER  37  -3.933   7.773   3.334
  177    H    THR  38           H        THR  38  -1.437   2.823   3.635
  178    HA   THR  38           HA       THR  38   1.035   3.525   4.896
  179    HB   THR  38           HB       THR  38  -0.128   2.933   6.932
  180    HG1  THR  38           1HG      THR  38   1.152   0.768   7.241
  181   1HG2  THR  38          1HG2      THR  38  -1.100   0.707   7.266
  182   2HG2  THR  38          2HG2      THR  38  -0.752   0.300   5.586
  183   3HG2  THR  38          3HG2      THR  38  -1.915   1.571   5.962
  184    H    TRP  39           H        TRP  39   2.594   1.580   4.856
  185    HA   TRP  39           HA       TRP  39   2.093   0.111   2.358
  186   1HB   TRP  39          2HB       TRP  39   4.718  -0.206   3.673
  187   2HB   TRP  39          1HB       TRP  39   4.351   0.114   1.983
  188    HD1  TRP  39           HD       TRP  39   5.038   1.831   5.286
  189    HE1  TRP  39           1HE      TRP  39   5.762   4.267   4.826
  190    HE3  TRP  39           3HE      TRP  39   4.131   1.980   0.285
  191    HZ2  TRP  39           2HZ      TRP  39   5.941   5.996   2.598
  192    HZ3  TRP  39           3HZ      TRP  39   4.604   4.056  -0.945
  193    HH2  TRP  39           HH       TRP  39   5.490   6.023   0.191
  194    H    GLU  40           H        GLU  40   0.972  -1.712   2.839
  195    HA   GLU  40           HA       GLU  40   2.234  -3.808   4.275
  196   1HB   GLU  40          2HB       GLU  40   1.088  -3.890   6.256
  197   2HB   GLU  40          1HB       GLU  40   1.082  -2.148   6.010
  198   1HG   GLU  40          2HG       GLU  40  -1.165  -2.284   5.072
  199   2HG   GLU  40          1HG       GLU  40  -1.163  -4.029   5.315
  200    H    LYS  41           H        LYS  41   0.811  -5.773   4.354
  201    HA   LYS  41           HA       LYS  41  -0.431  -6.235   1.900
  202   1HB   LYS  41          2HB       LYS  41  -1.219  -8.082   3.979
  203   2HB   LYS  41          1HB       LYS  41  -0.247  -8.363   2.553
  204   1HG   LYS  41          2HG       LYS  41   1.703  -7.429   3.828
  205   2HG   LYS  41          1HG       LYS  41   0.673  -7.463   5.260
  206   1HD   LYS  41          2HD       LYS  41   2.012  -9.457   5.226
  207   2HD   LYS  41          1HD       LYS  41   0.333  -9.893   4.906
  208   1HE   LYS  41          2HE       LYS  41   0.805 -10.030   2.524
  209   2HE   LYS  41          1HE       LYS  41   2.471  -9.530   2.808
  210   1HZ   LYS  41          1HZ       LYS  41   1.224 -12.013   3.859
  211   2HZ   LYS  41          2HZ       LYS  41   2.833 -11.540   4.083
  212   3HZ   LYS  41          3HZ       LYS  41   2.274 -11.930   2.534
  213    HA   PRO  42           HA       PRO  42  -4.367  -4.485   3.340
  214   1HB   PRO  42          2HB       PRO  42  -5.193  -4.319   0.591
  215   2HB   PRO  42          1HB       PRO  42  -4.725  -3.009   1.674
  216   1HG   PRO  42          2HG       PRO  42  -3.277  -3.795  -0.528
  217   2HG   PRO  42          1HG       PRO  42  -2.603  -2.935   0.866
  218   1HD   PRO  42          2HD       PRO  42  -2.505  -5.850   0.207
  219   2HD   PRO  42          1HD       PRO  42  -1.252  -4.811   0.917
  Start of MODEL    2
    1    H    SER  15           H        SER  15  -8.552  -3.140  -2.449
    2    HA   SER  15           HA       SER  15  -9.958  -2.215  -4.779
    3   1HB   SER  15          2HB       SER  15 -11.395  -3.864  -2.689
    4   2HB   SER  15          1HB       SER  15 -12.210  -2.876  -3.902
    5    HG   SER  15           HG       SER  15 -10.626  -5.185  -4.272
    6    H    MET  16           H        MET  16 -10.711  -2.501  -1.309
    7    HA   MET  16           HA       MET  16 -11.589   0.158  -1.025
    8   1HB   MET  16          2HB       MET  16 -10.556  -1.801   1.039
    9   2HB   MET  16          1HB       MET  16 -11.321  -0.268   1.427
   10   1HG   MET  16          2HG       MET  16 -13.399  -0.974   0.546
   11   2HG   MET  16          1HG       MET  16 -12.675  -2.401  -0.194
   12   1HE   MET  16          1HE       MET  16 -13.511  -0.584   3.132
   13   2HE   MET  16          2HE       MET  16 -11.879  -1.120   3.532
   14   3HE   MET  16          3HE       MET  16 -13.267  -1.830   4.352
   15    H    TRP  17           H        TRP  17  -8.468  -1.206  -1.224
   16    HA   TRP  17           HA       TRP  17  -7.214   1.185  -0.066
   17   1HB   TRP  17          2HB       TRP  17  -5.859  -1.396  -0.856
   18   2HB   TRP  17          1HB       TRP  17  -5.172  -0.080   0.082
   19    HD1  TRP  17           HD       TRP  17  -8.113  -2.603   0.456
   20    HE1  TRP  17           1HE      TRP  17  -8.238  -3.266   2.941
   21    HE3  TRP  17           3HE      TRP  17  -4.392   0.374   2.260
   22    HZ2  TRP  17           2HZ      TRP  17  -6.923  -2.604   5.356
   23    HZ3  TRP  17           3HZ      TRP  17  -3.879   0.303   4.657
   24    HH2  TRP  17           HH       TRP  17  -5.116  -1.153   6.181
   25    H    THR  18           H        THR  18  -5.976   2.531  -1.257
   26    HA   THR  18           HA       THR  18  -5.926   2.038  -4.143
   27    HB   THR  18           HB       THR  18  -5.530   4.462  -4.366
   28    HG1  THR  18           1HG      THR  18  -5.044   4.256  -1.724
   29   1HG2  THR  18          1HG2      THR  18  -7.751   5.213  -3.697
   30   2HG2  THR  18          2HG2      THR  18  -7.916   3.814  -2.636
   31   3HG2  THR  18          3HG2      THR  18  -7.829   3.591  -4.383
   32    H    GLU  19           H        GLU  19  -4.036   1.800  -5.192
   33    HA   GLU  19           HA       GLU  19  -1.574   1.940  -3.597
   34   1HB   GLU  19          2HB       GLU  19  -2.032  -0.232  -4.572
   35   2HB   GLU  19          1HB       GLU  19  -2.207   0.482  -6.168
   36   1HG   GLU  19          2HG       GLU  19   0.166   1.151  -6.088
   37   2HG   GLU  19          1HG       GLU  19   0.317   0.323  -4.539
   38    H    HIS  20           H        HIS  20  -0.507   3.800  -3.805
   39    HA   HIS  20           HA       HIS  20   0.165   4.745  -6.489
   40   1HB   HIS  20          2HB       HIS  20  -1.000   6.619  -4.420
   41   2HB   HIS  20          1HB       HIS  20  -0.462   7.045  -6.040
   42    HD1  HIS  20           1HD      HIS  20  -1.955   6.061  -8.037
   43    HD2  HIS  20           2HD      HIS  20  -3.602   5.810  -4.229
   44    HE1  HIS  20           1HE      HIS  20  -4.404   5.616  -8.393
   45    HE2  HIS  20           2HE      HIS  20  -5.392   5.528  -6.076
   46    H    LYS  21           H        LYS  21   2.118   5.902  -6.596
   47    HA   LYS  21           HA       LYS  21   4.119   5.320  -4.848
   48   1HB   LYS  21          2HB       LYS  21   3.802   7.693  -6.671
   49   2HB   LYS  21          1HB       LYS  21   5.289   7.369  -5.784
   50   1HG   LYS  21          2HG       LYS  21   5.885   5.700  -7.144
   51   2HG   LYS  21          1HG       LYS  21   4.236   5.083  -7.248
   52   1HD   LYS  21          2HD       LYS  21   3.688   6.884  -8.836
   53   2HD   LYS  21          1HD       LYS  21   5.363   7.436  -8.762
   54   1HE   LYS  21          2HE       LYS  21   5.050   6.083 -10.736
   55   2HE   LYS  21          1HE       LYS  21   6.087   5.227  -9.594
   56   1HZ   LYS  21          1HZ       LYS  21   4.194   3.907  -8.905
   57   2HZ   LYS  21          2HZ       LYS  21   4.427   3.766 -10.574
   58   3HZ   LYS  21          3HZ       LYS  21   3.182   4.741  -9.974
   59    H    SER  22           H        SER  22   5.393   6.687  -3.440
   60    HA   SER  22           HA       SER  22   4.380   8.983  -2.166
   61   1HB   SER  22          2HB       SER  22   3.630   6.318  -1.032
   62   2HB   SER  22          1HB       SER  22   4.038   7.611   0.093
   63    HG   SER  22           HG       SER  22   1.889   7.389  -1.671
   64    HA   PRO  23           HA       PRO  23   8.300   9.666  -0.162
   65   1HB   PRO  23          2HB       PRO  23   7.280   8.278   2.284
   66   2HB   PRO  23          1HB       PRO  23   8.215   9.771   2.147
   67   1HG   PRO  23          2HG       PRO  23   5.505   9.698   2.502
   68   2HG   PRO  23          1HG       PRO  23   6.368  11.040   1.732
   69   1HD   PRO  23          2HD       PRO  23   4.513   9.176   0.546
   70   2HD   PRO  23          1HD       PRO  23   5.296  10.573  -0.205
   71    H    ASP  24           H        ASP  24  10.229   8.633   0.181
   72    HA   ASP  24           HA       ASP  24  11.783   6.980   0.302
   73   1HB   ASP  24          2HB       ASP  24  10.162   6.003   2.038
   74   2HB   ASP  24          1HB       ASP  24   9.614   4.938   0.746
   75    H    GLY  25           H        GLY  25   9.478   7.322  -1.970
   76   1HA   GLY  25          2HA       GLY  25   9.460   6.808  -4.210
   77   2HA   GLY  25          1HA       GLY  25  11.007   6.010  -3.966
   78    H    ARG  26           H        ARG  26   7.891   5.371  -2.475
   79    HA   ARG  26           HA       ARG  26   7.665   2.875  -3.966
   80   1HB   ARG  26          2HB       ARG  26   6.919   1.838  -1.679
   81   2HB   ARG  26          1HB       ARG  26   8.616   1.878  -2.123
   82   1HG   ARG  26          2HG       ARG  26   8.691   4.075  -0.798
   83   2HG   ARG  26          1HG       ARG  26   7.153   3.544  -0.119
   84   1HD   ARG  26          2HD       ARG  26   9.048   2.884   1.283
   85   2HD   ARG  26          1HD       ARG  26   8.161   1.493   0.665
   86    HE   ARG  26           HE       ARG  26  10.448   2.280  -0.915
   87   1HH1  ARG  26          1HH1      ARG  26   9.271   0.288   1.691
   88   2HH1  ARG  26          2HH1      ARG  26  10.567  -0.855   1.572
   89   1HH2  ARG  26          1HH2      ARG  26  12.155   0.779  -1.078
   90   2HH2  ARG  26          2HH2      ARG  26  12.206  -0.576   0.001
   91    H    THR  27           H        THR  27   5.458   1.856  -3.494
   92    HA   THR  27           HA       THR  27   3.537   4.072  -3.527
   93    HB   THR  27           HB       THR  27   3.440   2.767  -5.535
   94    HG1  THR  27           1HG      THR  27   1.326   2.777  -5.465
   95   1HG2  THR  27          1HG2      THR  27   3.028   0.356  -3.761
   96   2HG2  THR  27          2HG2      THR  27   4.476   0.713  -4.702
   97   3HG2  THR  27          3HG2      THR  27   2.954   0.364  -5.523
   98    H    TYR  28           H        TYR  28   2.005   4.281  -2.033
   99    HA   TYR  28           HA       TYR  28   1.886   2.235   0.052
  100   1HB   TYR  28          2HB       TYR  28   1.025   3.924   1.543
  101   2HB   TYR  28          1HB       TYR  28   2.487   4.517   0.785
  102    HD1  TYR  28           1HD      TYR  28   0.176   4.902  -1.753
  103    HD2  TYR  28           2HD      TYR  28   1.088   6.491   2.089
  104    HE1  TYR  28           1HE      TYR  28  -0.997   6.975  -2.337
  105    HE2  TYR  28           2HE      TYR  28  -0.089   8.567   1.511
  106    HH   TYR  28           HH       TYR  28  -2.116   8.847  -1.181
  107    H    TYR  29           H        TYR  29  -0.210   1.976   1.141
  108    HA   TYR  29           HA       TYR  29  -2.356   1.860  -0.853
  109   1HB   TYR  29          2HB       TYR  29  -1.793   0.069   1.509
  110   2HB   TYR  29          1HB       TYR  29  -3.221  -0.049   0.486
  111    HD1  TYR  29           1HD      TYR  29  -3.093  -1.011  -1.717
  112    HD2  TYR  29           2HD      TYR  29   0.430  -0.490   0.613
  113    HE1  TYR  29           1HE      TYR  29  -1.846  -2.428  -3.292
  114    HE2  TYR  29           2HE      TYR  29   1.685  -1.908  -0.957
  115    HH   TYR  29           HH       TYR  29   1.266  -3.638  -2.607
  116    H    TYR  30           H        TYR  30  -3.668   3.520  -0.524
  117    HA   TYR  30           HA       TYR  30  -4.311   4.303   2.228
  118   1HB   TYR  30          2HB       TYR  30  -3.553   6.185   0.995
  119   2HB   TYR  30          1HB       TYR  30  -4.516   5.749  -0.414
  120    HD1  TYR  30           1HD      TYR  30  -6.263   7.187  -0.819
  121    HD2  TYR  30           2HD      TYR  30  -5.199   6.380   3.221
  122    HE1  TYR  30           1HE      TYR  30  -8.068   8.671  -0.051
  123    HE2  TYR  30           2HE      TYR  30  -7.000   7.861   3.999
  124    HH   TYR  30           HH       TYR  30  -9.458   8.989   1.971
  125    H    ASN  31           H        ASN  31  -5.965   3.146   2.941
  126    HA   ASN  31           HA       ASN  31  -8.061   2.206   1.247
  127   1HB   ASN  31          2HB       ASN  31  -7.205   1.133   3.433
  128   2HB   ASN  31          1HB       ASN  31  -8.201   2.342   4.249
  129   1HD2  ASN  31          1HD2      ASN  31 -10.470   2.445   3.547
  130   2HD2  ASN  31          2HD2      ASN  31 -11.275   0.958   3.214
  131    H    THR  32           H        THR  32  -9.554   3.515   0.468
  132    HA   THR  32           HA       THR  32 -10.092   6.100   1.474
  133    HB   THR  32           HB       THR  32 -12.150   5.888  -0.073
  134    HG1  THR  32           1HG      THR  32 -11.892   4.146  -1.594
  135   1HG2  THR  32          1HG2      THR  32 -10.098   7.074  -0.689
  136   2HG2  THR  32          2HG2      THR  32 -10.756   6.193  -2.068
  137   3HG2  THR  32          3HG2      THR  32  -9.365   5.551  -1.194
  138    H    GLU  33           H        GLU  33 -11.740   3.005   1.866
  139    HA   GLU  33           HA       GLU  33 -14.087   3.992   3.044
  140   1HB   GLU  33          2HB       GLU  33 -12.735   1.344   2.967
  141   2HB   GLU  33          1HB       GLU  33 -14.082   1.580   4.071
  142   1HG   GLU  33          2HG       GLU  33 -14.813   0.608   1.969
  143   2HG   GLU  33          1HG       GLU  33 -15.515   2.204   2.218
  144    H    THR  34           H        THR  34 -11.479   2.268   4.710
  145    HA   THR  34           HA       THR  34 -12.380   3.258   7.242
  146    HB   THR  34           HB       THR  34 -11.485   1.015   7.163
  147    HG1  THR  34           1HG      THR  34  -9.886   1.297   8.872
  148   1HG2  THR  34          1HG2      THR  34  -8.930   2.354   6.285
  149   2HG2  THR  34          2HG2      THR  34  -9.883   1.168   5.395
  150   3HG2  THR  34          3HG2      THR  34  -9.024   0.688   6.857
  151    H    LYS  35           H        LYS  35  -9.728   4.000   5.038
  152    HA   LYS  35           HA       LYS  35  -8.640   6.022   4.799
  153   1HB   LYS  35          2HB       LYS  35  -9.444   6.668   7.648
  154   2HB   LYS  35          1HB       LYS  35  -8.641   7.750   6.520
  155   1HG   LYS  35          2HG       LYS  35 -10.580   7.850   5.126
  156   2HG   LYS  35          1HG       LYS  35 -11.384   6.596   6.071
  157   1HD   LYS  35          2HD       LYS  35 -12.299   8.697   6.739
  158   2HD   LYS  35          1HD       LYS  35 -11.259   8.131   8.049
  159   1HE   LYS  35          2HE       LYS  35 -10.896  10.494   7.671
  160   2HE   LYS  35          1HE       LYS  35  -9.456   9.586   7.213
  161   1HZ   LYS  35          1HZ       LYS  35 -11.523  10.572   5.322
  162   2HZ   LYS  35          2HZ       LYS  35 -10.099   9.759   4.906
  163   3HZ   LYS  35          3HZ       LYS  35 -10.022  11.303   5.591
  164    H    GLN  36           H        GLN  36  -7.459   3.811   5.020
  165    HA   GLN  36           HA       GLN  36  -5.364   4.211   7.070
  166   1HB   GLN  36          2HB       GLN  36  -6.722   2.136   7.360
  167   2HB   GLN  36          1HB       GLN  36  -6.144   1.595   5.790
  168   1HG   GLN  36          2HG       GLN  36  -4.913   0.582   7.651
  169   2HG   GLN  36          1HG       GLN  36  -3.876   1.533   6.589
  170   1HE2  GLN  36          1HE2      GLN  36  -2.993   3.455   7.339
  171   2HE2  GLN  36          2HE2      GLN  36  -2.962   3.864   9.016
  172    H    SER  37           H        SER  37  -3.839   5.275   6.025
  173    HA   SER  37           HA       SER  37  -2.938   4.306   3.407
  174   1HB   SER  37          2HB       SER  37  -1.729   6.469   3.248
  175   2HB   SER  37          1HB       SER  37  -3.462   6.685   3.479
  176    HG   SER  37           HG       SER  37  -2.606   8.023   4.944
  177    H    THR  38           H        THR  38  -1.433   2.724   3.665
  178    HA   THR  38           HA       THR  38   1.076   3.375   4.896
  179    HB   THR  38           HB       THR  38  -0.119   2.719   6.915
  180    HG1  THR  38           1HG      THR  38   1.460   0.464   6.302
  181   1HG2  THR  38          1HG2      THR  38  -1.852   1.330   5.857
  182   2HG2  THR  38          2HG2      THR  38  -1.056   0.486   7.185
  183   3HG2  THR  38          3HG2      THR  38  -0.641   0.094   5.516
  184    H    TRP  39           H        TRP  39   2.597   1.419   4.777
  185    HA   TRP  39           HA       TRP  39   2.071   0.052   2.230
  186   1HB   TRP  39          2HB       TRP  39   4.693  -0.327   3.549
  187   2HB   TRP  39          1HB       TRP  39   4.334   0.034   1.864
  188    HD1  TRP  39           HD       TRP  39   4.955   1.676   5.219
  189    HE1  TRP  39           1HE      TRP  39   5.666   4.129   4.832
  190    HE3  TRP  39           3HE      TRP  39   4.166   1.929   0.202
  191    HZ2  TRP  39           2HZ      TRP  39   5.876   5.904   2.655
  192    HZ3  TRP  39           3HZ      TRP  39   4.652   4.036  -0.969
  193    HH2  TRP  39           HH       TRP  39   5.490   5.985   0.238
  194    H    GLU  40           H        GLU  40   0.943  -1.778   2.625
  195    HA   GLU  40           HA       GLU  40   2.156  -3.907   4.085
  196   1HB   GLU  40          2HB       GLU  40   0.674  -4.106   5.908
  197   2HB   GLU  40          1HB       GLU  40   1.071  -2.392   5.851
  198   1HG   GLU  40          2HG       GLU  40  -1.167  -2.236   6.125
  199   2HG   GLU  40          1HG       GLU  40  -1.100  -2.292   4.364
  200    H    LYS  41           H        LYS  41   0.929  -5.912   3.860
  201    HA   LYS  41           HA       LYS  41  -0.283  -6.184   1.355
  202   1HB   LYS  41          2HB       LYS  41  -0.923  -8.300   3.224
  203   2HB   LYS  41          1HB       LYS  41   0.039  -8.352   1.765
  204   1HG   LYS  41          2HG       LYS  41   1.915  -7.360   3.146
  205   2HG   LYS  41          1HG       LYS  41   0.929  -7.757   4.555
  206   1HD   LYS  41          2HD       LYS  41   1.926  -9.692   2.467
  207   2HD   LYS  41          1HD       LYS  41   2.536  -9.528   4.113
  208   1HE   LYS  41          2HE       LYS  41   0.298 -10.154   4.958
  209   2HE   LYS  41          1HE       LYS  41  -0.229 -10.401   3.293
  210   1HZ   LYS  41          1HZ       LYS  41   0.417 -12.478   4.373
  211   2HZ   LYS  41          2HZ       LYS  41   1.979 -11.879   4.622
  212   3HZ   LYS  41          3HZ       LYS  41   1.414 -12.136   3.049
  213    HA   PRO  42           HA       PRO  42  -4.297  -4.838   2.953
  214   1HB   PRO  42          2HB       PRO  42  -5.171  -4.477   0.235
  215   2HB   PRO  42          1HB       PRO  42  -4.772  -3.246   1.433
  216   1HG   PRO  42          2HG       PRO  42  -3.303  -3.732  -0.840
  217   2HG   PRO  42          1HG       PRO  42  -2.671  -2.963   0.626
  218   1HD   PRO  42          2HD       PRO  42  -2.395  -5.793  -0.304
  219   2HD   PRO  42          1HD       PRO  42  -1.202  -4.745   0.496
  Start of MODEL    3
    1    H    SER  15           H        SER  15  -8.406  -3.031  -2.486
    2    HA   SER  15           HA       SER  15 -10.536  -2.995  -4.434
    3   1HB   SER  15          2HB       SER  15 -11.173  -4.975  -3.184
    4   2HB   SER  15          1HB       SER  15 -10.996  -4.108  -1.658
    5    HG   SER  15           HG       SER  15 -12.866  -3.155  -1.969
    6    H    MET  16           H        MET  16 -10.633  -2.357  -0.944
    7    HA   MET  16           HA       MET  16 -11.518   0.345  -1.453
    8   1HB   MET  16          2HB       MET  16 -10.915  -1.001   1.188
    9   2HB   MET  16          1HB       MET  16 -11.775   0.517   0.966
   10   1HG   MET  16          2HG       MET  16 -13.461  -0.826  -0.386
   11   2HG   MET  16          1HG       MET  16 -12.680  -2.256   0.285
   12   1HE   MET  16          1HE       MET  16 -11.866  -0.900   3.194
   13   2HE   MET  16          2HE       MET  16 -12.387  -2.573   2.994
   14   3HE   MET  16          3HE       MET  16 -13.190  -1.533   4.170
   15    H    TRP  17           H        TRP  17  -8.554  -1.063  -1.416
   16    HA   TRP  17           HA       TRP  17  -7.225   1.249  -0.182
   17   1HB   TRP  17          2HB       TRP  17  -5.999  -1.396  -0.979
   18   2HB   TRP  17          1HB       TRP  17  -5.220  -0.110  -0.072
   19    HD1  TRP  17           HD       TRP  17  -8.272  -2.480   0.368
   20    HE1  TRP  17           1HE      TRP  17  -8.432  -3.064   2.869
   21    HE3  TRP  17           3HE      TRP  17  -4.440   0.393   2.097
   22    HZ2  TRP  17           2HZ      TRP  17  -7.100  -2.381   5.269
   23    HZ3  TRP  17           3HZ      TRP  17  -3.937   0.375   4.496
   24    HH2  TRP  17           HH       TRP  17  -5.238  -0.983   6.058
   25    H    THR  18           H        THR  18  -5.965   2.597  -1.321
   26    HA   THR  18           HA       THR  18  -5.828   2.146  -4.209
   27    HB   THR  18           HB       THR  18  -5.350   4.594  -4.347
   28    HG1  THR  18           1HG      THR  18  -5.026   4.344  -1.741
   29   1HG2  THR  18          1HG2      THR  18  -7.651   5.317  -3.852
   30   2HG2  THR  18          2HG2      THR  18  -7.915   3.817  -2.962
   31   3HG2  THR  18          3HG2      THR  18  -7.612   3.770  -4.699
   32    H    GLU  19           H        GLU  19  -3.911   1.886  -5.187
   33    HA   GLU  19           HA       GLU  19  -1.493   2.027  -3.535
   34   1HB   GLU  19          2HB       GLU  19  -2.002  -0.135  -4.555
   35   2HB   GLU  19          1HB       GLU  19  -2.023   0.603  -6.148
   36   1HG   GLU  19          2HG       GLU  19   0.346   1.127  -5.944
   37   2HG   GLU  19          1HG       GLU  19   0.370   0.410  -4.334
   38    H    HIS  20           H        HIS  20  -0.431   3.904  -3.706
   39    HA   HIS  20           HA       HIS  20   0.243   4.896  -6.382
   40   1HB   HIS  20          2HB       HIS  20  -0.909   6.663  -4.213
   41   2HB   HIS  20          1HB       HIS  20  -0.292   7.214  -5.767
   42    HD1  HIS  20           1HD      HIS  20  -1.730   6.579  -7.888
   43    HD2  HIS  20           2HD      HIS  20  -3.505   5.738  -4.223
   44    HE1  HIS  20           1HE      HIS  20  -4.162   6.185  -8.394
   45    HE2  HIS  20           2HE      HIS  20  -5.197   5.585  -6.176
   46    H    LYS  21           H        LYS  21   2.264   5.790  -6.542
   47    HA   LYS  21           HA       LYS  21   4.203   5.261  -4.639
   48   1HB   LYS  21          2HB       LYS  21   4.197   7.281  -6.878
   49   2HB   LYS  21          1HB       LYS  21   5.627   6.864  -5.942
   50   1HG   LYS  21          2HG       LYS  21   5.914   4.916  -7.003
   51   2HG   LYS  21          1HG       LYS  21   4.183   4.587  -7.056
   52   1HD   LYS  21          2HD       LYS  21   3.934   6.152  -8.914
   53   2HD   LYS  21          1HD       LYS  21   5.664   6.502  -8.856
   54   1HE   LYS  21          2HE       LYS  21   5.145   4.913 -10.633
   55   2HE   LYS  21          1HE       LYS  21   6.158   4.175  -9.393
   56   1HZ   LYS  21          1HZ       LYS  21   3.218   3.845  -9.653
   57   2HZ   LYS  21          2HZ       LYS  21   4.181   3.144  -8.452
   58   3HZ   LYS  21          3HZ       LYS  21   4.384   2.691 -10.068
   59    H    SER  22           H        SER  22   5.564   6.690  -3.439
   60    HA   SER  22           HA       SER  22   5.004   9.355  -2.815
   61   1HB   SER  22          2HB       SER  22   3.474   9.316  -1.143
   62   2HB   SER  22          1HB       SER  22   3.052   7.728  -1.776
   63    HG   SER  22           HG       SER  22   4.224   8.397   0.579
   64    HA   PRO  23           HA       PRO  23   8.647   9.745  -0.158
   65   1HB   PRO  23          2HB       PRO  23   7.212   8.391   2.087
   66   2HB   PRO  23          1HB       PRO  23   8.281   9.797   2.124
   67   1HG   PRO  23          2HG       PRO  23   5.486   9.859   2.031
   68   2HG   PRO  23          1HG       PRO  23   6.570  11.219   1.698
   69   1HD   PRO  23          2HD       PRO  23   4.845   9.978  -0.139
   70   2HD   PRO  23          1HD       PRO  23   6.154  11.099  -0.536
   71    H    ASP  24           H        ASP  24  10.417   8.540   0.037
   72    HA   ASP  24           HA       ASP  24  11.826   6.766   0.172
   73   1HB   ASP  24          2HB       ASP  24  10.225   5.941   1.974
   74   2HB   ASP  24          1HB       ASP  24   9.469   4.962   0.720
   75    H    GLY  25           H        GLY  25   9.588   7.354  -2.049
   76   1HA   GLY  25          2HA       GLY  25   9.354   6.792  -4.260
   77   2HA   GLY  25          1HA       GLY  25  10.906   5.979  -4.111
   78    H    ARG  26           H        ARG  26   7.902   5.321  -2.411
   79    HA   ARG  26           HA       ARG  26   7.614   2.825  -3.912
   80   1HB   ARG  26          2HB       ARG  26   6.903   1.793  -1.632
   81   2HB   ARG  26          1HB       ARG  26   8.609   1.916  -2.028
   82   1HG   ARG  26          2HG       ARG  26   8.648   4.052  -0.724
   83   2HG   ARG  26          1HG       ARG  26   7.028   3.650  -0.166
   84   1HD   ARG  26          2HD       ARG  26   9.493   1.959   0.201
   85   2HD   ARG  26          1HD       ARG  26   8.721   2.946   1.439
   86    HE   ARG  26           HE       ARG  26   6.859   1.125   0.344
   87   1HH1  ARG  26          1HH1      ARG  26   9.623   1.265   2.465
   88   2HH1  ARG  26          2HH1      ARG  26   9.147  -0.122   3.385
   89   1HH2  ARG  26          1HH2      ARG  26   6.227  -0.701   1.553
   90   2HH2  ARG  26          2HH2      ARG  26   7.218  -1.240   2.868
   91    H    THR  27           H        THR  27   5.405   1.832  -3.468
   92    HA   THR  27           HA       THR  27   3.492   4.053  -3.456
   93    HB   THR  27           HB       THR  27   3.457   2.769  -5.504
   94    HG1  THR  27           1HG      THR  27   1.330   2.784  -5.539
   95   1HG2  THR  27          1HG2      THR  27   4.350   0.657  -4.662
   96   2HG2  THR  27          2HG2      THR  27   2.835   0.394  -5.524
   97   3HG2  THR  27          3HG2      THR  27   2.861   0.374  -3.761
   98    H    TYR  28           H        TYR  28   1.904   4.202  -2.002
   99    HA   TYR  28           HA       TYR  28   1.802   2.154   0.093
  100   1HB   TYR  28          2HB       TYR  28   0.832   3.863   1.526
  101   2HB   TYR  28          1HB       TYR  28   2.325   4.464   0.821
  102    HD1  TYR  28           1HD      TYR  28   2.329   6.358  -0.637
  103    HD2  TYR  28           2HD      TYR  28  -1.355   4.718   0.717
  104    HE1  TYR  28           1HE      TYR  28   1.141   8.342  -1.471
  105    HE2  TYR  28           2HE      TYR  28  -2.548   6.699  -0.117
  106    HH   TYR  28           HH       TYR  28  -1.145   8.949  -2.203
  107    H    TYR  29           H        TYR  29  -0.289   1.839   1.136
  108    HA   TYR  29           HA       TYR  29  -2.442   1.713  -0.854
  109   1HB   TYR  29          2HB       TYR  29  -1.927  -0.006   1.576
  110   2HB   TYR  29          1HB       TYR  29  -3.316  -0.154   0.512
  111    HD1  TYR  29           1HD      TYR  29   0.254  -0.794   0.904
  112    HD2  TYR  29           2HD      TYR  29  -3.054  -1.049  -1.761
  113    HE1  TYR  29           1HE      TYR  29   1.542  -2.309  -0.541
  114    HE2  TYR  29           2HE      TYR  29  -1.774  -2.566  -3.212
  115    HH   TYR  29           HH       TYR  29   1.138  -4.026  -2.237
  116    H    TYR  30           H        TYR  30  -3.872   3.295  -0.541
  117    HA   TYR  30           HA       TYR  30  -4.415   4.181   2.200
  118   1HB   TYR  30          2HB       TYR  30  -3.806   6.058   0.940
  119   2HB   TYR  30          1HB       TYR  30  -4.690   5.514  -0.481
  120    HD1  TYR  30           1HD      TYR  30  -5.357   6.496   3.071
  121    HD2  TYR  30           2HD      TYR  30  -6.672   6.586  -0.974
  122    HE1  TYR  30           1HE      TYR  30  -7.259   7.909   3.727
  123    HE2  TYR  30           2HE      TYR  30  -8.579   7.999  -0.329
  124    HH   TYR  30           HH       TYR  30  -9.902   8.496   1.692
  125    H    ASN  31           H        ASN  31  -6.039   3.125   3.076
  126    HA   ASN  31           HA       ASN  31  -8.160   1.949   1.566
  127   1HB   ASN  31          2HB       ASN  31  -7.175   1.215   3.869
  128   2HB   ASN  31          1HB       ASN  31  -8.243   2.443   4.537
  129   1HD2  ASN  31          1HD2      ASN  31 -10.231   1.922   2.392
  130   2HD2  ASN  31          2HD2      ASN  31 -11.025   0.465   2.861
  131    H    THR  32           H        THR  32  -9.450   3.359   0.533
  132    HA   THR  32           HA       THR  32 -10.031   5.970   1.243
  133    HB   THR  32           HB       THR  32 -12.030   5.759  -0.243
  134    HG1  THR  32           1HG      THR  32 -12.616   3.621   0.097
  135   1HG2  THR  32          1HG2      THR  32  -9.437   4.612  -1.287
  136   2HG2  THR  32          2HG2      THR  32  -9.861   6.322  -1.186
  137   3HG2  THR  32          3HG2      THR  32 -10.739   5.260  -2.287
  138    H    GLU  33           H        GLU  33 -12.023   3.069   1.876
  139    HA   GLU  33           HA       GLU  33 -14.046   4.491   3.247
  140   1HB   GLU  33          2HB       GLU  33 -14.628   2.410   2.288
  141   2HB   GLU  33          1HB       GLU  33 -13.302   1.589   3.096
  142   1HG   GLU  33          2HG       GLU  33 -14.411   1.893   5.245
  143   2HG   GLU  33          1HG       GLU  33 -15.723   2.761   4.453
  144    H    THR  34           H        THR  34 -11.741   2.144   4.546
  145    HA   THR  34           HA       THR  34 -12.196   2.758   7.240
  146    HB   THR  34           HB       THR  34  -9.670   1.603   6.046
  147    HG1  THR  34           1HG      THR  34 -10.682  -0.339   6.154
  148   1HG2  THR  34          1HG2      THR  34 -10.825   1.416   8.832
  149   2HG2  THR  34          2HG2      THR  34  -9.388   2.324   8.362
  150   3HG2  THR  34          3HG2      THR  34  -9.392   0.564   8.254
  151    H    LYS  35           H        LYS  35  -9.854   4.033   4.944
  152    HA   LYS  35           HA       LYS  35  -8.773   6.038   4.881
  153   1HB   LYS  35          2HB       LYS  35  -9.776   6.470   7.712
  154   2HB   LYS  35          1HB       LYS  35  -8.909   7.654   6.750
  155   1HG   LYS  35          2HG       LYS  35 -10.880   7.251   5.063
  156   2HG   LYS  35          1HG       LYS  35 -11.717   6.721   6.526
  157   1HD   LYS  35          2HD       LYS  35 -10.896   8.898   7.570
  158   2HD   LYS  35          1HD       LYS  35 -10.509   9.405   5.927
  159   1HE   LYS  35          2HE       LYS  35 -12.845   9.031   5.272
  160   2HE   LYS  35          1HE       LYS  35 -13.227   8.562   6.927
  161   1HZ   LYS  35          1HZ       LYS  35 -12.571  10.782   7.654
  162   2HZ   LYS  35          2HZ       LYS  35 -13.827  10.855   6.523
  163   3HZ   LYS  35          3HZ       LYS  35 -12.245  11.226   6.054
  164    H    GLN  36           H        GLN  36  -7.569   3.801   5.118
  165    HA   GLN  36           HA       GLN  36  -5.471   4.296   7.143
  166   1HB   GLN  36          2HB       GLN  36  -7.073   2.069   6.950
  167   2HB   GLN  36          1HB       GLN  36  -5.586   1.556   6.176
  168   1HG   GLN  36          2HG       GLN  36  -5.702   2.820   8.902
  169   2HG   GLN  36          1HG       GLN  36  -5.747   1.080   8.627
  170   1HE2  GLN  36          1HE2      GLN  36  -3.805   3.963   8.460
  171   2HE2  GLN  36          2HE2      GLN  36  -2.279   3.167   8.308
  172    H    SER  37           H        SER  37  -3.989   5.264   6.050
  173    HA   SER  37           HA       SER  37  -3.096   4.195   3.468
  174   1HB   SER  37          2HB       SER  37  -3.632   6.565   3.420
  175   2HB   SER  37          1HB       SER  37  -2.556   6.867   4.783
  176    HG   SER  37           HG       SER  37  -1.936   6.944   2.252
  177    H    THR  38           H        THR  38  -1.492   2.714   3.677
  178    HA   THR  38           HA       THR  38   0.964   3.436   4.967
  179    HB   THR  38           HB       THR  38  -0.316   2.756   6.953
  180    HG1  THR  38           1HG      THR  38   1.663   2.159   7.444
  181   1HG2  THR  38          1HG2      THR  38  -1.857   1.190   5.860
  182   2HG2  THR  38          2HG2      THR  38  -1.036   0.437   7.227
  183   3HG2  THR  38          3HG2      THR  38  -0.521   0.074   5.580
  184    H    TRP  39           H        TRP  39   2.556   1.536   4.914
  185    HA   TRP  39           HA       TRP  39   2.116   0.087   2.394
  186   1HB   TRP  39          2HB       TRP  39   4.729  -0.120   3.787
  187   2HB   TRP  39          1HB       TRP  39   4.394   0.097   2.074
  188    HD1  TRP  39           HD       TRP  39   4.934   2.006   5.294
  189    HE1  TRP  39           1HE      TRP  39   5.546   4.451   4.724
  190    HE3  TRP  39           3HE      TRP  39   4.104   1.866   0.281
  191    HZ2  TRP  39           2HZ      TRP  39   5.674   6.071   2.420
  192    HZ3  TRP  39           3HZ      TRP  39   4.501   3.900  -1.040
  193    HH2  TRP  39           HH       TRP  39   5.268   5.956   0.007
  194    H    GLU  40           H        GLU  40   0.989  -1.746   2.901
  195    HA   GLU  40           HA       GLU  40   2.343  -3.830   4.298
  196   1HB   GLU  40          2HB       GLU  40   1.195  -3.957   6.276
  197   2HB   GLU  40          1HB       GLU  40   1.109  -2.218   6.033
  198   1HG   GLU  40          2HG       GLU  40  -1.123  -2.471   5.060
  199   2HG   GLU  40          1HG       GLU  40  -1.038  -4.209   5.339
  200    H    LYS  41           H        LYS  41   0.993  -5.850   4.329
  201    HA   LYS  41           HA       LYS  41  -0.263  -6.246   1.846
  202   1HB   LYS  41          2HB       LYS  41  -0.873  -8.245   3.858
  203   2HB   LYS  41          1HB       LYS  41   0.024  -8.398   2.366
  204   1HG   LYS  41          2HG       LYS  41   1.990  -7.403   3.590
  205   2HG   LYS  41          1HG       LYS  41   1.055  -7.638   5.069
  206   1HD   LYS  41          2HD       LYS  41   1.703  -9.837   3.113
  207   2HD   LYS  41          1HD       LYS  41   2.650  -9.487   4.560
  208   1HE   LYS  41          2HE       LYS  41  -0.277 -10.218   4.515
  209   2HE   LYS  41          1HE       LYS  41   1.043 -11.318   4.911
  210   1HZ   LYS  41          1HZ       LYS  41  -0.026 -10.418   6.894
  211   2HZ   LYS  41          2HZ       LYS  41   0.370  -8.845   6.414
  212   3HZ   LYS  41          3HZ       LYS  41   1.596  -9.944   6.805
  213    HA   PRO  42           HA       PRO  42  -4.220  -4.844   3.541
  214   1HB   PRO  42          2HB       PRO  42  -5.190  -4.282   0.937
  215   2HB   PRO  42          1HB       PRO  42  -4.536  -3.135   2.104
  216   1HG   PRO  42          2HG       PRO  42  -3.372  -3.838  -0.332
  217   2HG   PRO  42          1HG       PRO  42  -2.565  -2.998   1.002
  218   1HD   PRO  42          2HD       PRO  42  -2.465  -5.879   0.234
  219   2HD   PRO  42          1HD       PRO  42  -1.199  -4.849   0.936
  Start of MODEL    4
    1    H    SER  15           H        SER  15  -8.391  -3.118  -2.647
    2    HA   SER  15           HA       SER  15 -10.404  -2.993  -4.716
    3   1HB   SER  15          2HB       SER  15 -10.925  -4.462  -2.121
    4   2HB   SER  15          1HB       SER  15 -12.179  -3.980  -3.264
    5    HG   SER  15           HG       SER  15 -11.731  -5.717  -4.336
    6    H    MET  16           H        MET  16 -10.283  -2.711  -1.170
    7    HA   MET  16           HA       MET  16 -11.562  -0.102  -1.327
    8   1HB   MET  16          2HB       MET  16 -10.759  -1.810   1.037
    9   2HB   MET  16          1HB       MET  16 -11.585  -0.263   1.164
   10   1HG   MET  16          2HG       MET  16 -13.539  -1.114   0.154
   11   2HG   MET  16          1HG       MET  16 -12.717  -2.582  -0.369
   12   1HE   MET  16          1HE       MET  16 -12.345  -0.800   3.076
   13   2HE   MET  16          2HE       MET  16 -13.512  -1.653   4.083
   14   3HE   MET  16          3HE       MET  16 -14.074  -0.587   2.796
   15    H    TRP  17           H        TRP  17  -8.492  -1.203  -1.593
   16    HA   TRP  17           HA       TRP  17  -7.335   1.136  -0.228
   17   1HB   TRP  17          2HB       TRP  17  -5.845  -1.358  -1.047
   18   2HB   TRP  17          1HB       TRP  17  -5.269  -0.054  -0.018
   19    HD1  TRP  17           HD       TRP  17  -8.110  -2.711   0.084
   20    HE1  TRP  17           1HE      TRP  17  -8.352  -3.474   2.526
   21    HE3  TRP  17           3HE      TRP  17  -4.624   0.334   2.212
   22    HZ2  TRP  17           2HZ      TRP  17  -7.216  -2.846   5.041
   23    HZ3  TRP  17           3HZ      TRP  17  -4.254   0.196   4.632
   24    HH2  TRP  17           HH       TRP  17  -5.520  -1.363   6.025
   25    H    THR  18           H        THR  18  -6.207   2.595  -1.354
   26    HA   THR  18           HA       THR  18  -5.910   2.144  -4.235
   27    HB   THR  18           HB       THR  18  -5.673   4.626  -4.370
   28    HG1  THR  18           1HG      THR  18  -6.655   4.730  -1.719
   29   1HG2  THR  18          1HG2      THR  18  -8.207   3.653  -3.049
   30   2HG2  THR  18          2HG2      THR  18  -7.842   3.561  -4.772
   31   3HG2  THR  18          3HG2      THR  18  -8.041   5.132  -3.994
   32    H    GLU  19           H        GLU  19  -3.879   1.978  -5.079
   33    HA   GLU  19           HA       GLU  19  -1.655   2.497  -3.252
   34   1HB   GLU  19          2HB       GLU  19  -0.508   0.778  -4.212
   35   2HB   GLU  19          1HB       GLU  19  -2.142   0.227  -4.525
   36   1HG   GLU  19          2HG       GLU  19  -2.009   1.135  -6.792
   37   2HG   GLU  19          1HG       GLU  19  -0.364   1.677  -6.467
   38    H    HIS  20           H        HIS  20  -0.287   4.109  -3.569
   39    HA   HIS  20           HA       HIS  20   0.154   5.176  -6.250
   40   1HB   HIS  20          2HB       HIS  20  -0.896   6.876  -3.981
   41   2HB   HIS  20          1HB       HIS  20  -0.258   7.510  -5.494
   42    HD1  HIS  20           1HD      HIS  20  -1.718   7.128  -7.637
   43    HD2  HIS  20           2HD      HIS  20  -3.501   5.937  -4.075
   44    HE1  HIS  20           1HE      HIS  20  -4.153   6.811  -8.177
   45    HE2  HIS  20           2HE      HIS  20  -5.226   6.170  -5.989
   46    H    LYS  21           H        LYS  21   2.229   5.770  -6.537
   47    HA   LYS  21           HA       LYS  21   4.228   5.325  -4.728
   48   1HB   LYS  21          2HB       LYS  21   4.236   7.383  -6.939
   49   2HB   LYS  21          1HB       LYS  21   5.662   6.706  -6.160
   50   1HG   LYS  21          2HG       LYS  21   5.672   5.146  -7.728
   51   2HG   LYS  21          1HG       LYS  21   4.199   4.514  -6.988
   52   1HD   LYS  21          2HD       LYS  21   2.830   5.853  -8.452
   53   2HD   LYS  21          1HD       LYS  21   4.259   6.643  -9.122
   54   1HE   LYS  21          2HE       LYS  21   3.590   3.710  -9.348
   55   2HE   LYS  21          1HE       LYS  21   3.399   4.911 -10.623
   56   1HZ   LYS  21          1HZ       LYS  21   5.790   5.280 -10.577
   57   2HZ   LYS  21          2HZ       LYS  21   5.439   3.657 -10.902
   58   3HZ   LYS  21          3HZ       LYS  21   5.968   4.115  -9.361
   59    H    SER  22           H        SER  22   5.540   6.625  -3.456
   60    HA   SER  22           HA       SER  22   5.055   9.367  -2.942
   61   1HB   SER  22          2HB       SER  22   3.582   9.343  -1.225
   62   2HB   SER  22          1HB       SER  22   3.182   7.715  -1.771
   63    HG   SER  22           HG       SER  22   3.703   7.785   0.460
   64    HA   PRO  23           HA       PRO  23   8.880   9.737  -0.628
   65   1HB   PRO  23          2HB       PRO  23   7.768   8.876   1.962
   66   2HB   PRO  23          1HB       PRO  23   8.613  10.365   1.539
   67   1HG   PRO  23          2HG       PRO  23   5.774   9.907   1.735
   68   2HG   PRO  23          1HG       PRO  23   6.625  11.426   1.409
   69   1HD   PRO  23          2HD       PRO  23   5.038  10.143  -0.415
   70   2HD   PRO  23          1HD       PRO  23   6.376  11.210  -0.864
   71    H    ASP  24           H        ASP  24  10.572   8.432  -0.057
   72    HA   ASP  24           HA       ASP  24  11.775   6.543   0.346
   73   1HB   ASP  24          2HB       ASP  24   9.109   5.232   0.941
   74   2HB   ASP  24          1HB       ASP  24  10.683   4.511   1.234
   75    H    GLY  25           H        GLY  25   9.737   7.154  -2.073
   76   1HA   GLY  25          2HA       GLY  25   9.547   6.446  -4.239
   77   2HA   GLY  25          1HA       GLY  25  11.060   5.587  -3.971
   78    H    ARG  26           H        ARG  26   7.764   5.303  -2.730
   79    HA   ARG  26           HA       ARG  26   7.474   2.702  -3.958
   80   1HB   ARG  26          2HB       ARG  26   6.709   1.882  -1.560
   81   2HB   ARG  26          1HB       ARG  26   8.371   1.725  -2.102
   82   1HG   ARG  26          2HG       ARG  26   8.639   4.067  -0.979
   83   2HG   ARG  26          1HG       ARG  26   7.190   3.580  -0.099
   84   1HD   ARG  26          2HD       ARG  26   9.076   2.928   1.196
   85   2HD   ARG  26          1HD       ARG  26   8.363   1.469   0.518
   86    HE   ARG  26           HE       ARG  26  10.191   1.793  -1.266
   87   1HH1  ARG  26          1HH1      ARG  26  10.518   2.566   2.117
   88   2HH1  ARG  26          2HH1      ARG  26  12.231   2.309   2.142
   89   1HH2  ARG  26          1HH2      ARG  26  12.445   1.454  -1.241
   90   2HH2  ARG  26          2HH2      ARG  26  13.326   1.680   0.232
   91    H    THR  27           H        THR  27   5.267   1.779  -3.413
   92    HA   THR  27           HA       THR  27   3.379   4.025  -3.492
   93    HB   THR  27           HB       THR  27   3.293   2.609  -5.468
   94    HG1  THR  27           1HG      THR  27   0.967   1.674  -4.445
   95   1HG2  THR  27          1HG2      THR  27   4.151   0.530  -4.508
   96   2HG2  THR  27          2HG2      THR  27   2.613   0.251  -5.326
   97   3HG2  THR  27          3HG2      THR  27   2.671   0.341  -3.566
   98    H    TYR  28           H        TYR  28   1.891   4.294  -1.943
   99    HA   TYR  28           HA       TYR  28   1.767   2.268   0.171
  100   1HB   TYR  28          2HB       TYR  28   0.955   4.008   1.646
  101   2HB   TYR  28          1HB       TYR  28   2.420   4.570   0.854
  102    HD1  TYR  28           1HD      TYR  28   2.425   6.587  -0.343
  103    HD2  TYR  28           2HD      TYR  28  -1.290   4.818   0.735
  104    HE1  TYR  28           1HE      TYR  28   1.248   8.617  -1.079
  105    HE2  TYR  28           2HE      TYR  28  -2.475   6.842   0.002
  106    HH   TYR  28           HH       TYR  28  -1.996   9.235  -0.328
  107    H    TYR  29           H        TYR  29  -0.274   1.845   1.172
  108    HA   TYR  29           HA       TYR  29  -2.449   1.866  -0.794
  109   1HB   TYR  29          2HB       TYR  29  -1.886   0.037   1.541
  110   2HB   TYR  29          1HB       TYR  29  -3.340  -0.040   0.557
  111    HD1  TYR  29           1HD      TYR  29   0.188  -0.842   0.761
  112    HD2  TYR  29           2HD      TYR  29  -3.173  -0.686  -1.842
  113    HE1  TYR  29           1HE      TYR  29   1.383  -2.254  -0.859
  114    HE2  TYR  29           2HE      TYR  29  -1.990  -2.101  -3.467
  115    HH   TYR  29           HH       TYR  29   0.346  -2.669  -4.050
  116    H    TYR  30           H        TYR  30  -3.897   3.383  -0.445
  117    HA   TYR  30           HA       TYR  30  -4.466   4.221   2.305
  118   1HB   TYR  30          2HB       TYR  30  -3.862   6.116   1.053
  119   2HB   TYR  30          1HB       TYR  30  -4.750   5.577  -0.367
  120    HD1  TYR  30           1HD      TYR  30  -6.847   6.474  -0.803
  121    HD2  TYR  30           2HD      TYR  30  -5.303   6.692   3.155
  122    HE1  TYR  30           1HE      TYR  30  -8.764   7.863  -0.138
  123    HE2  TYR  30           2HE      TYR  30  -7.216   8.081   3.831
  124    HH   TYR  30           HH       TYR  30  -8.868   9.574   2.788
  125    H    ASN  31           H        ASN  31  -6.044   2.991   3.104
  126    HA   ASN  31           HA       ASN  31  -8.126   1.826   1.580
  127   1HB   ASN  31          2HB       ASN  31  -7.184   1.185   3.944
  128   2HB   ASN  31          1HB       ASN  31  -8.338   2.372   4.540
  129   1HD2  ASN  31          1HD2      ASN  31 -10.177   1.668   2.277
  130   2HD2  ASN  31          2HD2      ASN  31 -10.925   0.194   2.766
  131    H    THR  32           H        THR  32  -9.548   3.079   0.542
  132    HA   THR  32           HA       THR  32 -10.131   5.745   1.141
  133    HB   THR  32           HB       THR  32 -12.004   5.542  -0.432
  134    HG1  THR  32           1HG      THR  32 -12.865   3.651  -0.854
  135   1HG2  THR  32          1HG2      THR  32  -9.729   5.806  -1.306
  136   2HG2  THR  32          2HG2      THR  32 -10.720   4.829  -2.388
  137   3HG2  THR  32          3HG2      THR  32  -9.536   4.053  -1.337
  138    H    GLU  33           H        GLU  33 -11.987   2.806   1.918
  139    HA   GLU  33           HA       GLU  33 -14.117   4.245   3.139
  140   1HB   GLU  33          2HB       GLU  33 -14.637   2.134   2.214
  141   2HB   GLU  33          1HB       GLU  33 -13.323   1.353   3.080
  142   1HG   GLU  33          2HG       GLU  33 -15.452   0.757   4.056
  143   2HG   GLU  33          1HG       GLU  33 -14.510   1.719   5.194
  144    H    THR  34           H        THR  34 -11.516   2.243   4.459
  145    HA   THR  34           HA       THR  34 -12.188   2.876   7.170
  146    HB   THR  34           HB       THR  34  -9.652   1.607   6.129
  147    HG1  THR  34           1HG      THR  34 -10.846  -0.351   6.801
  148   1HG2  THR  34          1HG2      THR  34  -9.483   2.429   8.435
  149   2HG2  THR  34          2HG2      THR  34  -9.484   0.666   8.384
  150   3HG2  THR  34          3HG2      THR  34 -10.942   1.535   8.862
  151    H    LYS  35           H        LYS  35  -9.833   4.040   4.848
  152    HA   LYS  35           HA       LYS  35  -8.712   6.024   4.736
  153   1HB   LYS  35          2HB       LYS  35  -9.651   6.519   7.578
  154   2HB   LYS  35          1HB       LYS  35  -8.796   7.671   6.564
  155   1HG   LYS  35          2HG       LYS  35 -10.686   7.631   4.978
  156   2HG   LYS  35          1HG       LYS  35 -11.550   6.556   6.079
  157   1HD   LYS  35          2HD       LYS  35 -10.534   9.280   6.869
  158   2HD   LYS  35          1HD       LYS  35 -12.162   8.989   6.251
  159   1HE   LYS  35          2HE       LYS  35 -12.603   7.462   8.098
  160   2HE   LYS  35          1HE       LYS  35 -10.964   7.703   8.703
  161   1HZ   LYS  35          1HZ       LYS  35 -13.042   9.813   8.472
  162   2HZ   LYS  35          2HZ       LYS  35 -11.477  10.031   9.073
  163   3HZ   LYS  35          3HZ       LYS  35 -12.573   9.050   9.907
  164    H    GLN  36           H        GLN  36  -7.569   3.746   4.999
  165    HA   GLN  36           HA       GLN  36  -5.497   4.137   7.074
  166   1HB   GLN  36          2HB       GLN  36  -6.861   2.082   7.311
  167   2HB   GLN  36          1HB       GLN  36  -6.279   1.544   5.745
  168   1HG   GLN  36          2HG       GLN  36  -5.059   0.475   7.551
  169   2HG   GLN  36          1HG       GLN  36  -3.998   1.505   6.590
  170   1HE2  GLN  36          1HE2      GLN  36  -3.191   3.401   7.487
  171   2HE2  GLN  36          2HE2      GLN  36  -3.223   3.702   9.187
  172    H    SER  37           H        SER  37  -3.972   5.208   6.085
  173    HA   SER  37           HA       SER  37  -2.986   4.268   3.484
  174   1HB   SER  37          2HB       SER  37  -3.553   6.636   3.544
  175   2HB   SER  37          1HB       SER  37  -2.498   6.879   4.937
  176    HG   SER  37           HG       SER  37  -1.312   5.720   2.726
  177    H    THR  38           H        THR  38  -1.400   2.754   3.721
  178    HA   THR  38           HA       THR  38   1.021   3.452   5.096
  179    HB   THR  38           HB       THR  38  -0.220   2.741   7.052
  180    HG1  THR  38           1HG      THR  38   1.266   1.247   7.760
  181   1HG2  THR  38          1HG2      THR  38  -0.688   0.158   5.557
  182   2HG2  THR  38          2HG2      THR  38  -1.912   1.362   5.959
  183   3HG2  THR  38          3HG2      THR  38  -1.109   0.459   7.243
  184    H    TRP  39           H        TRP  39   2.620   1.560   5.039
  185    HA   TRP  39           HA       TRP  39   2.273   0.183   2.465
  186   1HB   TRP  39          2HB       TRP  39   4.831   0.019   3.993
  187   2HB   TRP  39          1HB       TRP  39   4.579   0.123   2.257
  188    HD1  TRP  39           HD       TRP  39   5.061   2.213   5.360
  189    HE1  TRP  39           1HE      TRP  39   5.653   4.629   4.652
  190    HE3  TRP  39           3HE      TRP  39   4.183   1.814   0.358
  191    HZ2  TRP  39           2HZ      TRP  39   5.727   6.135   2.283
  192    HZ3  TRP  39           3HZ      TRP  39   4.545   3.787  -1.062
  193    HH2  TRP  39           HH       TRP  39   5.302   5.902  -0.121
  194    H    GLU  40           H        GLU  40   1.169  -1.697   2.873
  195    HA   GLU  40           HA       GLU  40   2.517  -3.791   4.241
  196   1HB   GLU  40          2HB       GLU  40   1.349  -3.988   6.192
  197   2HB   GLU  40          1HB       GLU  40   1.188  -2.249   5.986
  198   1HG   GLU  40          2HG       GLU  40  -1.010  -2.576   4.968
  199   2HG   GLU  40          1HG       GLU  40  -0.854  -4.316   5.199
  200    H    LYS  41           H        LYS  41   1.312  -5.841   4.075
  201    HA   LYS  41           HA       LYS  41   0.075  -6.137   1.572
  202   1HB   LYS  41          2HB       LYS  41  -0.550  -8.406   2.908
  203   2HB   LYS  41          1HB       LYS  41   0.991  -8.129   2.126
  204   1HG   LYS  41          2HG       LYS  41   2.054  -7.697   4.138
  205   2HG   LYS  41          1HG       LYS  41   0.540  -7.338   4.966
  206   1HD   LYS  41          2HD       LYS  41   1.518  -9.517   5.631
  207   2HD   LYS  41          1HD       LYS  41  -0.091  -9.668   4.926
  208   1HE   LYS  41          2HE       LYS  41   0.752 -10.516   2.908
  209   2HE   LYS  41          1HE       LYS  41   2.390  -9.977   3.269
  210   1HZ   LYS  41          1HZ       LYS  41   2.179 -12.358   3.555
  211   2HZ   LYS  41          2HZ       LYS  41   0.924 -12.147   4.669
  212   3HZ   LYS  41          3HZ       LYS  41   2.486 -11.623   5.049
  213    HA   PRO  42           HA       PRO  42  -3.946  -4.986   3.302
  214   1HB   PRO  42          2HB       PRO  42  -4.935  -4.298   0.749
  215   2HB   PRO  42          1HB       PRO  42  -4.289  -3.201   1.967
  216   1HG   PRO  42          2HG       PRO  42  -3.144  -3.792  -0.524
  217   2HG   PRO  42          1HG       PRO  42  -2.368  -2.931   0.812
  218   1HD   PRO  42          2HD       PRO  42  -2.084  -5.767  -0.032
  219   2HD   PRO  42          1HD       PRO  42  -0.906  -4.694   0.751
  Start of MODEL    5
    1    H    SER  15           H        SER  15  -9.102  -3.097  -2.548
    2    HA   SER  15           HA       SER  15 -10.897  -2.288  -4.647
    3   1HB   SER  15          2HB       SER  15 -11.907  -3.918  -2.309
    4   2HB   SER  15          1HB       SER  15 -12.950  -2.968  -3.366
    5    HG   SER  15           HG       SER  15 -12.963  -4.928  -4.286
    6    H    MET  16           H        MET  16 -10.794  -2.440  -1.085
    7    HA   MET  16           HA       MET  16 -11.739   0.261  -0.829
    8   1HB   MET  16          2HB       MET  16 -10.613  -1.637   1.237
    9   2HB   MET  16          1HB       MET  16 -11.385  -0.100   1.590
   10   1HG   MET  16          2HG       MET  16 -13.489  -0.883   0.834
   11   2HG   MET  16          1HG       MET  16 -12.770  -2.344   0.157
   12   1HE   MET  16          1HE       MET  16 -12.740  -1.566   4.710
   13   2HE   MET  16          2HE       MET  16 -13.441  -0.403   3.588
   14   3HE   MET  16          3HE       MET  16 -11.712  -0.743   3.536
   15    H    TRP  17           H        TRP  17  -8.684  -1.237  -1.198
   16    HA   TRP  17           HA       TRP  17  -7.293   1.135  -0.158
   17   1HB   TRP  17          2HB       TRP  17  -6.033  -1.501  -0.908
   18   2HB   TRP  17          1HB       TRP  17  -5.317  -0.194   0.022
   19    HD1  TRP  17           HD       TRP  17  -8.271  -2.694   0.392
   20    HE1  TRP  17           1HE      TRP  17  -8.461  -3.286   2.887
   21    HE3  TRP  17           3HE      TRP  17  -4.607   0.340   2.204
   22    HZ2  TRP  17           2HZ      TRP  17  -7.217  -2.542   5.317
   23    HZ3  TRP  17           3HZ      TRP  17  -4.156   0.344   4.613
   24    HH2  TRP  17           HH       TRP  17  -5.432  -1.069   6.147
   25    H    THR  18           H        THR  18  -6.094   2.415  -1.407
   26    HA   THR  18           HA       THR  18  -5.973   1.737  -4.263
   27    HB   THR  18           HB       THR  18  -7.266   3.796  -3.690
   28    HG1  THR  18           1HG      THR  18  -4.910   3.996  -5.264
   29   1HG2  THR  18          1HG2      THR  18  -5.880   4.536  -1.788
   30   2HG2  THR  18          2HG2      THR  18  -6.082   5.801  -2.998
   31   3HG2  THR  18          3HG2      THR  18  -4.567   4.903  -2.907
   32    H    GLU  19           H        GLU  19  -4.038   1.678  -5.274
   33    HA   GLU  19           HA       GLU  19  -1.660   1.991  -3.587
   34   1HB   GLU  19          2HB       GLU  19  -2.065  -0.218  -4.603
   35   2HB   GLU  19          1HB       GLU  19  -2.000   0.512  -6.200
   36   1HG   GLU  19          2HG       GLU  19   0.330   1.152  -5.801
   37   2HG   GLU  19          1HG       GLU  19   0.259   0.382  -4.216
   38    H    HIS  20           H        HIS  20  -0.482   3.766  -3.819
   39    HA   HIS  20           HA       HIS  20   0.104   4.802  -6.487
   40   1HB   HIS  20          2HB       HIS  20  -1.090   6.558  -4.329
   41   2HB   HIS  20          1HB       HIS  20  -0.466   7.120  -5.874
   42    HD1  HIS  20           1HD      HIS  20  -1.803   5.921  -8.014
   43    HD2  HIS  20           2HD      HIS  20  -3.751   6.178  -4.351
   44    HE1  HIS  20           1HE      HIS  20  -4.251   5.674  -8.536
   45    HE2  HIS  20           2HE      HIS  20  -5.415   5.934  -6.317
   46    H    LYS  21           H        LYS  21   2.051   6.002  -6.597
   47    HA   LYS  21           HA       LYS  21   4.092   5.423  -4.877
   48   1HB   LYS  21          2HB       LYS  21   3.810   7.978  -6.467
   49   2HB   LYS  21          1HB       LYS  21   5.315   7.287  -5.870
   50   1HG   LYS  21          2HG       LYS  21   5.474   6.311  -7.860
   51   2HG   LYS  21          1HG       LYS  21   4.216   5.223  -7.267
   52   1HD   LYS  21          2HD       LYS  21   2.496   6.640  -8.237
   53   2HD   LYS  21          1HD       LYS  21   3.726   7.780  -8.788
   54   1HE   LYS  21          2HE       LYS  21   3.437   4.909  -9.668
   55   2HE   LYS  21          1HE       LYS  21   2.990   6.333 -10.609
   56   1HZ   LYS  21          1HZ       LYS  21   5.133   5.493 -11.295
   57   2HZ   LYS  21          2HZ       LYS  21   5.733   5.622  -9.719
   58   3HZ   LYS  21          3HZ       LYS  21   5.319   7.016 -10.581
   59    H    SER  22           H        SER  22   5.322   6.796  -3.425
   60    HA   SER  22           HA       SER  22   4.285   9.093  -2.184
   61   1HB   SER  22          2HB       SER  22   3.905   7.611   0.062
   62   2HB   SER  22          1HB       SER  22   2.600   8.070  -1.032
   63    HG   SER  22           HG       SER  22   4.031   5.750  -1.620
   64    HA   PRO  23           HA       PRO  23   8.109   9.744   0.020
   65   1HB   PRO  23          2HB       PRO  23   7.065   8.318   2.414
   66   2HB   PRO  23          1HB       PRO  23   7.859   9.890   2.296
   67   1HG   PRO  23          2HG       PRO  23   5.096   9.422   2.472
   68   2HG   PRO  23          1HG       PRO  23   5.881  10.955   2.059
   69   1HD   PRO  23          2HD       PRO  23   4.264   9.381   0.374
   70   2HD   PRO  23          1HD       PRO  23   5.275  10.751  -0.115
   71    H    ASP  24           H        ASP  24  10.016   8.662   0.423
   72    HA   ASP  24           HA       ASP  24  11.524   6.969   0.526
   73   1HB   ASP  24          2HB       ASP  24   9.136   5.213   1.144
   74   2HB   ASP  24          1HB       ASP  24  10.819   4.721   1.278
   75    H    GLY  25           H        GLY  25   9.560   7.591  -1.821
   76   1HA   GLY  25          2HA       GLY  25   9.332   6.968  -4.020
   77   2HA   GLY  25          1HA       GLY  25  10.920   6.237  -3.822
   78    H    ARG  26           H        ARG  26   7.766   5.491  -2.430
   79    HA   ARG  26           HA       ARG  26   7.694   2.962  -3.876
   80   1HB   ARG  26          2HB       ARG  26   6.977   1.898  -1.600
   81   2HB   ARG  26          1HB       ARG  26   8.683   2.076  -1.982
   82   1HG   ARG  26          2HG       ARG  26   8.676   4.194  -0.684
   83   2HG   ARG  26          1HG       ARG  26   7.038   3.812  -0.177
   84   1HD   ARG  26          2HD       ARG  26   8.618   3.119   1.521
   85   2HD   ARG  26          1HD       ARG  26   7.827   1.715   0.806
   86    HE   ARG  26           HE       ARG  26  10.181   2.129  -0.604
   87   1HH1  ARG  26          1HH1      ARG  26   9.220   1.344   2.652
   88   2HH1  ARG  26          2HH1      ARG  26  10.653   0.430   2.992
   89   1HH2  ARG  26          1HH2      ARG  26  12.069   0.927  -0.167
   90   2HH2  ARG  26          2HH2      ARG  26  12.270   0.192   1.389
   91    H    THR  27           H        THR  27   5.506   1.866  -3.477
   92    HA   THR  27           HA       THR  27   3.514   4.015  -3.496
   93    HB   THR  27           HB       THR  27   3.619   2.633  -5.528
   94    HG1  THR  27           1HG      THR  27   1.532   2.922  -5.643
   95   1HG2  THR  27          1HG2      THR  27   2.947   0.302  -5.504
   96   2HG2  THR  27          2HG2      THR  27   2.722   0.353  -3.756
   97   3HG2  THR  27          3HG2      THR  27   4.339   0.523  -4.442
   98    H    TYR  28           H        TYR  28   1.953   4.156  -2.025
   99    HA   TYR  28           HA       TYR  28   1.831   2.051   0.008
  100   1HB   TYR  28          2HB       TYR  28   0.797   3.735   1.481
  101   2HB   TYR  28          1HB       TYR  28   2.384   4.225   0.925
  102    HD1  TYR  28           1HD      TYR  28   0.075   4.719  -1.728
  103    HD2  TYR  28           2HD      TYR  28   1.361   6.396   1.965
  104    HE1  TYR  28           1HE      TYR  28  -0.848   6.888  -2.400
  105    HE2  TYR  28           2HE      TYR  28   0.438   8.573   1.297
  106    HH   TYR  28           HH       TYR  28  -1.638   8.951  -1.376
  107    H    TYR  29           H        TYR  29  -0.260   1.730   1.058
  108    HA   TYR  29           HA       TYR  29  -2.415   1.640  -0.933
  109   1HB   TYR  29          2HB       TYR  29  -1.944  -0.073   1.513
  110   2HB   TYR  29          1HB       TYR  29  -3.322  -0.213   0.432
  111    HD1  TYR  29           1HD      TYR  29  -2.948  -0.953  -1.937
  112    HD2  TYR  29           2HD      TYR  29   0.134  -1.078   0.993
  113    HE1  TYR  29           1HE      TYR  29  -1.673  -2.509  -3.352
  114    HE2  TYR  29           2HE      TYR  29   1.417  -2.634  -0.414
  115    HH   TYR  29           HH       TYR  29   1.008  -4.252  -2.220
  116    H    TYR  30           H        TYR  30  -3.786   3.271  -0.620
  117    HA   TYR  30           HA       TYR  30  -4.281   4.179   2.119
  118   1HB   TYR  30          2HB       TYR  30  -3.584   5.996   0.768
  119   2HB   TYR  30          1HB       TYR  30  -4.629   5.514  -0.563
  120    HD1  TYR  30           1HD      TYR  30  -5.062   6.333   3.072
  121    HD2  TYR  30           2HD      TYR  30  -6.416   6.917  -0.919
  122    HE1  TYR  30           1HE      TYR  30  -6.797   7.869   3.891
  123    HE2  TYR  30           2HE      TYR  30  -8.155   8.454  -0.110
  124    HH   TYR  30           HH       TYR  30  -8.172   9.719   3.036
  125    H    ASN  31           H        ASN  31  -5.878   3.081   2.988
  126    HA   ASN  31           HA       ASN  31  -8.070   1.978   1.551
  127   1HB   ASN  31          2HB       ASN  31  -7.043   1.299   3.868
  128   2HB   ASN  31          1HB       ASN  31  -8.119   2.540   4.506
  129   1HD2  ASN  31          1HD2      ASN  31 -10.093   1.937   2.363
  130   2HD2  ASN  31          2HD2      ASN  31 -10.886   0.500   2.885
  131    H    THR  32           H        THR  32  -9.348   3.420   0.516
  132    HA   THR  32           HA       THR  32  -9.863   6.044   1.406
  133    HB   THR  32           HB       THR  32 -11.741   5.973  -0.292
  134    HG1  THR  32           1HG      THR  32 -11.079   3.907  -1.692
  135   1HG2  THR  32          1HG2      THR  32  -9.518   6.808  -0.849
  136   2HG2  THR  32          2HG2      THR  32 -10.199   5.911  -2.207
  137   3HG2  THR  32          3HG2      THR  32  -8.972   5.165  -1.184
  138    H    GLU  33           H        GLU  33 -11.428   3.026   2.166
  139    HA   GLU  33           HA       GLU  33 -13.892   4.212   2.994
  140   1HB   GLU  33          2HB       GLU  33 -13.832   1.939   2.176
  141   2HB   GLU  33          1HB       GLU  33 -12.707   1.488   3.446
  142   1HG   GLU  33          2HG       GLU  33 -15.473   2.515   4.023
  143   2HG   GLU  33          1HG       GLU  33 -15.136   0.809   3.743
  144    H    THR  34           H        THR  34 -11.227   2.674   4.756
  145    HA   THR  34           HA       THR  34 -12.263   3.754   7.244
  146    HB   THR  34           HB       THR  34 -11.383   1.404   7.115
  147    HG1  THR  34           1HG      THR  34 -11.452   2.908   9.070
  148   1HG2  THR  34          1HG2      THR  34  -8.995   1.040   7.207
  149   2HG2  THR  34          2HG2      THR  34  -8.694   2.775   7.109
  150   3HG2  THR  34          3HG2      THR  34  -9.393   1.922   5.736
  151    H    LYS  35           H        LYS  35  -9.623   4.279   5.031
  152    HA   LYS  35           HA       LYS  35  -8.419   6.204   4.689
  153   1HB   LYS  35          2HB       LYS  35  -9.163   7.057   7.500
  154   2HB   LYS  35          1HB       LYS  35  -8.354   8.036   6.286
  155   1HG   LYS  35          2HG       LYS  35 -10.322   8.095   4.926
  156   2HG   LYS  35          1HG       LYS  35 -11.140   6.939   5.980
  157   1HD   LYS  35          2HD       LYS  35 -10.882   8.620   7.837
  158   2HD   LYS  35          1HD       LYS  35 -10.341   9.773   6.615
  159   1HE   LYS  35          2HE       LYS  35 -12.709  10.065   7.063
  160   2HE   LYS  35          1HE       LYS  35 -12.461   9.482   5.417
  161   1HZ   LYS  35          1HZ       LYS  35 -13.240   7.801   7.740
  162   2HZ   LYS  35          2HZ       LYS  35 -13.021   7.253   6.156
  163   3HZ   LYS  35          3HZ       LYS  35 -14.281   8.323   6.513
  164    H    GLN  36           H        GLN  36  -7.364   3.934   5.071
  165    HA   GLN  36           HA       GLN  36  -5.212   4.388   7.049
  166   1HB   GLN  36          2HB       GLN  36  -6.649   2.423   7.556
  167   2HB   GLN  36          1HB       GLN  36  -6.185   1.728   6.010
  168   1HG   GLN  36          2HG       GLN  36  -4.925   0.776   7.877
  169   2HG   GLN  36          1HG       GLN  36  -3.883   1.589   6.711
  170   1HE2  GLN  36          1HE2      GLN  36  -2.871   3.507   7.284
  171   2HE2  GLN  36          2HE2      GLN  36  -2.743   4.029   8.925
  172    H    SER  37           H        SER  37  -3.660   5.282   5.886
  173    HA   SER  37           HA       SER  37  -2.872   4.051   3.345
  174   1HB   SER  37          2HB       SER  37  -1.585   6.128   2.948
  175   2HB   SER  37          1HB       SER  37  -3.294   6.455   3.231
  176    HG   SER  37           HG       SER  37  -2.791   7.515   4.975
  177    H    THR  38           H        THR  38  -1.285   2.561   3.499
  178    HA   THR  38           HA       THR  38   1.194   3.188   4.796
  179    HB   THR  38           HB       THR  38  -0.049   2.526   6.784
  180    HG1  THR  38           1HG      THR  38   1.629   1.414   7.463
  181   1HG2  THR  38          1HG2      THR  38  -0.534  -0.083   5.340
  182   2HG2  THR  38          2HG2      THR  38  -1.754   1.134   5.715
  183   3HG2  THR  38          3HG2      THR  38  -0.951   0.260   7.020
  184    H    TRP  39           H        TRP  39   2.740   1.248   4.682
  185    HA   TRP  39           HA       TRP  39   2.225  -0.136   2.139
  186   1HB   TRP  39          2HB       TRP  39   4.870  -0.489   3.392
  187   2HB   TRP  39          1HB       TRP  39   4.468  -0.073   1.729
  188    HD1  TRP  39           HD       TRP  39   5.283   1.435   5.094
  189    HE1  TRP  39           1HE      TRP  39   5.932   3.915   4.765
  190    HE3  TRP  39           3HE      TRP  39   4.075   1.916   0.178
  191    HZ2  TRP  39           2HZ      TRP  39   5.923   5.801   2.674
  192    HZ3  TRP  39           3HZ      TRP  39   4.424   4.086  -0.923
  193    HH2  TRP  39           HH       TRP  39   5.330   5.992   0.304
  194    H    GLU  40           H        GLU  40   1.095  -1.960   2.597
  195    HA   GLU  40           HA       GLU  40   2.412  -4.112   3.900
  196   1HB   GLU  40          2HB       GLU  40   1.360  -4.241   5.918
  197   2HB   GLU  40          1HB       GLU  40   1.235  -2.500   5.703
  198   1HG   GLU  40          2HG       GLU  40  -1.027  -2.804   4.778
  199   2HG   GLU  40          1HG       GLU  40  -0.897  -4.535   5.092
  200    H    LYS  41           H        LYS  41   1.099  -6.105   3.805
  201    HA   LYS  41           HA       LYS  41  -0.294  -6.357   1.386
  202   1HB   LYS  41          2HB       LYS  41  -0.975  -8.567   2.797
  203   2HB   LYS  41          1HB       LYS  41   0.527  -8.398   1.913
  204   1HG   LYS  41          2HG       LYS  41   1.742  -7.994   3.850
  205   2HG   LYS  41          1HG       LYS  41   0.303  -7.549   4.767
  206   1HD   LYS  41          2HD       LYS  41   0.940  -9.694   5.541
  207   2HD   LYS  41          1HD       LYS  41  -0.457  -9.947   4.491
  208   1HE   LYS  41          2HE       LYS  41   1.222 -11.619   4.025
  209   2HE   LYS  41          1HE       LYS  41   1.074 -10.529   2.648
  210   1HZ   LYS  41          1HZ       LYS  41   3.047  -9.362   3.397
  211   2HZ   LYS  41          2HZ       LYS  41   3.387 -11.003   3.174
  212   3HZ   LYS  41          3HZ       LYS  41   3.183 -10.389   4.735
  213    HA   PRO  42           HA       PRO  42  -4.148  -4.978   3.319
  214   1HB   PRO  42          2HB       PRO  42  -5.285  -4.381   0.804
  215   2HB   PRO  42          1HB       PRO  42  -4.543  -3.249   1.935
  216   1HG   PRO  42          2HG       PRO  42  -3.565  -3.978  -0.594
  217   2HG   PRO  42          1HG       PRO  42  -2.703  -3.060   0.648
  218   1HD   PRO  42          2HD       PRO  42  -2.466  -5.922  -0.093
  219   2HD   PRO  42          1HD       PRO  42  -1.263  -4.833   0.620
  Start of MODEL    6
    1    H    SER  15           H        SER  15  -9.010  -2.888  -2.691
    2    HA   SER  15           HA       SER  15 -10.686  -1.868  -4.787
    3   1HB   SER  15          2HB       SER  15 -11.870  -3.545  -2.571
    4   2HB   SER  15          1HB       SER  15 -12.822  -2.431  -3.553
    5    HG   SER  15           HG       SER  15 -11.365  -4.697  -4.445
    6    H    MET  16           H        MET  16 -10.897  -2.182  -1.241
    7    HA   MET  16           HA       MET  16 -11.609   0.543  -0.861
    8   1HB   MET  16          2HB       MET  16 -10.554  -1.495   1.108
    9   2HB   MET  16          1HB       MET  16 -11.226   0.067   1.542
   10   1HG   MET  16          2HG       MET  16 -13.386  -0.549   0.867
   11   2HG   MET  16          1HG       MET  16 -12.795  -1.968   0.003
   12   1HE   MET  16          1HE       MET  16 -12.855  -0.321   3.596
   13   2HE   MET  16          2HE       MET  16 -11.264  -1.072   3.499
   14   3HE   MET  16          3HE       MET  16 -12.477  -1.715   4.605
   15    H    TRP  17           H        TRP  17  -8.616  -1.072  -1.285
   16    HA   TRP  17           HA       TRP  17  -7.129   1.187  -0.145
   17   1HB   TRP  17          2HB       TRP  17  -5.991  -1.457  -1.045
   18   2HB   TRP  17          1HB       TRP  17  -5.202  -0.228  -0.069
   19    HD1  TRP  17           HD       TRP  17  -8.219  -2.656   0.220
   20    HE1  TRP  17           1HE      TRP  17  -8.422  -3.330   2.695
   21    HE3  TRP  17           3HE      TRP  17  -4.506   0.251   2.136
   22    HZ2  TRP  17           2HZ      TRP  17  -7.170  -2.690   5.151
   23    HZ3  TRP  17           3HZ      TRP  17  -4.061   0.168   4.545
   24    HH2  TRP  17           HH       TRP  17  -5.361  -1.275   6.030
   25    H    THR  18           H        THR  18  -5.954   2.521  -1.357
   26    HA   THR  18           HA       THR  18  -5.938   2.060  -4.249
   27    HB   THR  18           HB       THR  18  -5.446   4.493  -4.418
   28    HG1  THR  18           1HG      THR  18  -6.254   5.233  -1.977
   29   1HG2  THR  18          1HG2      THR  18  -7.929   3.778  -2.862
   30   2HG2  THR  18          2HG2      THR  18  -7.743   3.726  -4.615
   31   3HG2  THR  18          3HG2      THR  18  -7.691   5.272  -3.768
   32    H    GLU  19           H        GLU  19  -4.050   1.739  -5.289
   33    HA   GLU  19           HA       GLU  19  -1.593   1.860  -3.685
   34   1HB   GLU  19          2HB       GLU  19  -2.127  -0.329  -4.588
   35   2HB   GLU  19          1HB       GLU  19  -2.242   0.335  -6.211
   36   1HG   GLU  19          2HG       GLU  19   0.171   0.948  -6.041
   37   2HG   GLU  19          1HG       GLU  19   0.224   0.066  -4.515
   38    H    HIS  20           H        HIS  20  -0.470   3.673  -3.950
   39    HA   HIS  20           HA       HIS  20   0.247   4.525  -6.642
   40   1HB   HIS  20          2HB       HIS  20  -0.914   6.533  -4.702
   41   2HB   HIS  20          1HB       HIS  20  -0.424   6.819  -6.367
   42    HD1  HIS  20           1HD      HIS  20  -1.994   5.758  -8.232
   43    HD2  HIS  20           2HD      HIS  20  -3.498   5.687  -4.358
   44    HE1  HIS  20           1HE      HIS  20  -4.454   5.297  -8.475
   45    HE2  HIS  20           2HE      HIS  20  -5.348   5.278  -6.120
   46    H    LYS  21           H        LYS  21   2.077   5.996  -6.671
   47    HA   LYS  21           HA       LYS  21   4.133   5.378  -4.968
   48   1HB   LYS  21          2HB       LYS  21   3.774   8.025  -6.383
   49   2HB   LYS  21          1HB       LYS  21   5.296   7.316  -5.853
   50   1HG   LYS  21          2HG       LYS  21   5.458   6.475  -7.900
   51   2HG   LYS  21          1HG       LYS  21   4.194   5.347  -7.402
   52   1HD   LYS  21          2HD       LYS  21   2.487   6.880  -8.246
   53   2HD   LYS  21          1HD       LYS  21   3.745   8.012  -8.742
   54   1HE   LYS  21          2HE       LYS  21   4.648   6.338 -10.279
   55   2HE   LYS  21          1HE       LYS  21   3.399   5.199  -9.776
   56   1HZ   LYS  21          1HZ       LYS  21   2.909   7.813 -11.101
   57   2HZ   LYS  21          2HZ       LYS  21   1.723   6.695 -10.647
   58   3HZ   LYS  21          3HZ       LYS  21   2.836   6.300 -11.858
   59    H    SER  22           H        SER  22   5.256   6.633  -3.371
   60    HA   SER  22           HA       SER  22   4.069   8.818  -2.021
   61   1HB   SER  22          2HB       SER  22   3.374   6.075  -1.139
   62   2HB   SER  22          1HB       SER  22   3.835   7.200   0.138
   63    HG   SER  22           HG       SER  22   1.929   8.032  -0.056
   64    HA   PRO  23           HA       PRO  23   7.797   9.725   0.231
   65   1HB   PRO  23          2HB       PRO  23   6.652   8.006   2.419
   66   2HB   PRO  23          1HB       PRO  23   7.593   9.500   2.557
   67   1HG   PRO  23          2HG       PRO  23   4.898   9.493   2.677
   68   2HG   PRO  23          1HG       PRO  23   5.809  10.836   1.965
   69   1HD   PRO  23          2HD       PRO  23   4.055   8.918   0.654
   70   2HD   PRO  23          1HD       PRO  23   4.785  10.393  -0.008
   71    H    ASP  24           H        ASP  24   9.792   8.887   0.294
   72    HA   ASP  24           HA       ASP  24  11.529   7.430   0.300
   73   1HB   ASP  24          2HB       ASP  24  10.116   6.286   2.133
   74   2HB   ASP  24          1HB       ASP  24   9.680   5.132   0.878
   75    H    GLY  25           H        GLY  25   9.357   7.745  -1.925
   76   1HA   GLY  25          2HA       GLY  25   9.170   7.136  -4.123
   77   2HA   GLY  25          1HA       GLY  25  10.807   6.523  -3.968
   78    H    ARG  26           H        ARG  26   7.726   5.513  -2.530
   79    HA   ARG  26           HA       ARG  26   7.831   3.028  -4.040
   80   1HB   ARG  26          2HB       ARG  26   7.163   1.866  -1.775
   81   2HB   ARG  26          1HB       ARG  26   8.844   2.092  -2.211
   82   1HG   ARG  26          2HG       ARG  26   8.382   4.368  -0.865
   83   2HG   ARG  26          1HG       ARG  26   7.302   3.254  -0.026
   84   1HD   ARG  26          2HD       ARG  26  10.272   3.051  -0.391
   85   2HD   ARG  26          1HD       ARG  26   9.353   3.129   1.107
   86    HE   ARG  26           HE       ARG  26   8.645   0.834  -0.400
   87   1HH1  ARG  26          1HH1      ARG  26  11.129   2.132   1.668
   88   2HH1  ARG  26          2HH1      ARG  26  11.668   0.578   2.215
   89   1HH2  ARG  26          1HH2      ARG  26   9.350  -1.219   0.314
   90   2HH2  ARG  26          2HH2      ARG  26  10.657  -1.325   1.445
   91    H    THR  27           H        THR  27   5.710   1.738  -3.563
   92    HA   THR  27           HA       THR  27   3.590   3.762  -3.729
   93    HB   THR  27           HB       THR  27   3.777   2.294  -5.675
   94    HG1  THR  27           1HG      THR  27   1.639   2.129  -5.836
   95   1HG2  THR  27          1HG2      THR  27   3.064   0.032  -3.801
   96   2HG2  THR  27          2HG2      THR  27   4.660   0.298  -4.504
   97   3HG2  THR  27          3HG2      THR  27   3.289  -0.078  -5.548
   98    H    TYR  28           H        TYR  28   2.175   4.001  -2.195
   99    HA   TYR  28           HA       TYR  28   1.990   1.981  -0.091
  100   1HB   TYR  28          2HB       TYR  28   1.441   3.674   1.427
  101   2HB   TYR  28          1HB       TYR  28   2.669   4.398   0.413
  102    HD1  TYR  28           1HD      TYR  28   0.812   5.903   2.193
  103    HD2  TYR  28           2HD      TYR  28   0.436   4.828  -1.907
  104    HE1  TYR  28           1HE      TYR  28  -0.641   7.846   1.818
  105    HE2  TYR  28           2HE      TYR  28  -1.022   6.765  -2.287
  106    HH   TYR  28           HH       TYR  28  -1.360   9.281  -0.042
  107    H    TYR  29           H        TYR  29  -0.125   1.833   1.012
  108    HA   TYR  29           HA       TYR  29  -2.292   1.787  -0.970
  109   1HB   TYR  29          2HB       TYR  29  -1.802  -0.016   1.402
  110   2HB   TYR  29          1HB       TYR  29  -3.213  -0.099   0.352
  111    HD1  TYR  29           1HD      TYR  29   0.374  -0.755   0.633
  112    HD2  TYR  29           2HD      TYR  29  -3.019  -0.953  -1.927
  113    HE1  TYR  29           1HE      TYR  29   1.629  -2.201  -0.907
  114    HE2  TYR  29           2HE      TYR  29  -1.773  -2.406  -3.472
  115    HH   TYR  29           HH       TYR  29   0.603  -2.881  -4.042
  116    H    TYR  30           H        TYR  30  -3.685   3.366  -0.629
  117    HA   TYR  30           HA       TYR  30  -4.141   4.297   2.113
  118   1HB   TYR  30          2HB       TYR  30  -3.481   6.100   0.727
  119   2HB   TYR  30          1HB       TYR  30  -4.538   5.587  -0.583
  120    HD1  TYR  30           1HD      TYR  30  -6.209   7.120  -0.961
  121    HD2  TYR  30           2HD      TYR  30  -5.062   6.318   3.057
  122    HE1  TYR  30           1HE      TYR  30  -7.950   8.661  -0.162
  123    HE2  TYR  30           2HE      TYR  30  -6.801   7.856   3.867
  124    HH   TYR  30           HH       TYR  30  -9.278   9.035   1.893
  125    H    ASN  31           H        ASN  31  -5.791   3.372   3.068
  126    HA   ASN  31           HA       ASN  31  -7.962   2.161   1.644
  127   1HB   ASN  31          2HB       ASN  31  -6.876   1.568   3.989
  128   2HB   ASN  31          1HB       ASN  31  -8.063   2.725   4.583
  129   1HD2  ASN  31          1HD2      ASN  31  -9.920   1.955   2.388
  130   2HD2  ASN  31          2HD2      ASN  31 -10.611   0.460   2.897
  131    H    THR  32           H        THR  32  -9.251   3.576   0.602
  132    HA   THR  32           HA       THR  32  -9.854   6.183   1.558
  133    HB   THR  32           HB       THR  32 -11.486   6.271  -0.291
  134    HG1  THR  32           1HG      THR  32 -11.731   3.774  -0.024
  135   1HG2  THR  32          1HG2      THR  32  -8.792   5.107  -1.004
  136   2HG2  THR  32          2HG2      THR  32  -9.172   6.812  -0.767
  137   3HG2  THR  32          3HG2      THR  32  -9.866   5.935  -2.131
  138    H    GLU  33           H        GLU  33 -11.303   3.090   2.154
  139    HA   GLU  33           HA       GLU  33 -13.868   4.182   2.848
  140   1HB   GLU  33          2HB       GLU  33 -13.842   1.992   1.909
  141   2HB   GLU  33          1HB       GLU  33 -12.674   1.440   3.101
  142   1HG   GLU  33          2HG       GLU  33 -14.296   1.533   4.844
  143   2HG   GLU  33          1HG       GLU  33 -15.447   2.372   3.805
  144    H    THR  34           H        THR  34 -11.120   2.836   4.626
  145    HA   THR  34           HA       THR  34 -12.403   3.672   7.124
  146    HB   THR  34           HB       THR  34 -11.461   1.323   6.885
  147    HG1  THR  34           1HG      THR  34 -11.612   2.914   8.926
  148   1HG2  THR  34          1HG2      THR  34  -8.825   2.700   7.372
  149   2HG2  THR  34          2HG2      THR  34  -9.331   2.110   5.792
  150   3HG2  THR  34          3HG2      THR  34  -9.118   0.978   7.126
  151    H    LYS  35           H        LYS  35  -9.684   4.356   5.073
  152    HA   LYS  35           HA       LYS  35  -8.475   6.297   4.912
  153   1HB   LYS  35          2HB       LYS  35  -9.373   6.949   7.733
  154   2HB   LYS  35          1HB       LYS  35  -8.470   8.007   6.661
  155   1HG   LYS  35          2HG       LYS  35 -10.390   8.001   5.101
  156   2HG   LYS  35          1HG       LYS  35 -11.296   7.048   6.278
  157   1HD   LYS  35          2HD       LYS  35 -11.099   8.833   7.912
  158   2HD   LYS  35          1HD       LYS  35 -10.117   9.777   6.788
  159   1HE   LYS  35          2HE       LYS  35 -12.400  10.589   6.783
  160   2HE   LYS  35          1HE       LYS  35 -12.016   9.857   5.227
  161   1HZ   LYS  35          1HZ       LYS  35 -13.158   7.843   5.947
  162   2HZ   LYS  35          2HZ       LYS  35 -14.195   9.179   5.982
  163   3HZ   LYS  35          3HZ       LYS  35 -13.550   8.573   7.423
  164    H    GLN  36           H        GLN  36  -7.429   4.007   5.198
  165    HA   GLN  36           HA       GLN  36  -5.309   4.375   7.227
  166   1HB   GLN  36          2HB       GLN  36  -6.756   2.441   7.747
  167   2HB   GLN  36          1HB       GLN  36  -6.381   1.758   6.172
  168   1HG   GLN  36          2HG       GLN  36  -5.082   0.701   7.930
  169   2HG   GLN  36          1HG       GLN  36  -4.044   1.552   6.788
  170   1HE2  GLN  36          1HE2      GLN  36  -2.938   3.375   7.449
  171   2HE2  GLN  36          2HE2      GLN  36  -2.775   3.812   9.113
  172    H    SER  37           H        SER  37  -3.742   5.247   6.076
  173    HA   SER  37           HA       SER  37  -2.982   4.037   3.518
  174   1HB   SER  37          2HB       SER  37  -1.643   6.093   3.165
  175   2HB   SER  37          1HB       SER  37  -3.348   6.447   3.436
  176    HG   SER  37           HG       SER  37  -2.452   6.556   5.790
  177    H    THR  38           H        THR  38  -1.533   2.420   3.785
  178    HA   THR  38           HA       THR  38   0.978   2.999   5.104
  179    HB   THR  38           HB       THR  38  -0.196   2.185   7.020
  180    HG1  THR  38           1HG      THR  38   0.840  -0.161   6.938
  181   1HG2  THR  38          1HG2      THR  38  -1.142  -0.050   5.238
  182   2HG2  THR  38          2HG2      THR  38  -2.125   1.190   6.016
  183   3HG2  THR  38          3HG2      THR  38  -1.325  -0.043   6.991
  184    H    TRP  39           H        TRP  39   2.506   1.094   4.855
  185    HA   TRP  39           HA       TRP  39   2.045  -0.135   2.222
  186   1HB   TRP  39          2HB       TRP  39   4.630  -0.475   3.677
  187   2HB   TRP  39          1HB       TRP  39   4.347  -0.232   1.957
  188    HD1  TRP  39           HD       TRP  39   4.697   1.652   5.227
  189    HE1  TRP  39           1HE      TRP  39   5.380   4.087   4.719
  190    HE3  TRP  39           3HE      TRP  39   4.311   1.520   0.159
  191    HZ2  TRP  39           2HZ      TRP  39   5.720   5.712   2.436
  192    HZ3  TRP  39           3HZ      TRP  39   4.839   3.551  -1.122
  193    HH2  TRP  39           HH       TRP  39   5.530   5.605  -0.005
  194    H    GLU  40           H        GLU  40   0.864  -1.963   2.587
  195    HA   GLU  40           HA       GLU  40   2.050  -4.137   3.993
  196   1HB   GLU  40          2HB       GLU  40   0.452  -4.364   5.782
  197   2HB   GLU  40          1HB       GLU  40   1.129  -2.740   5.851
  198   1HG   GLU  40          2HG       GLU  40  -0.813  -1.739   5.201
  199   2HG   GLU  40          1HG       GLU  40  -1.416  -3.168   4.376
  200    H    LYS  41           H        LYS  41   0.860  -6.110   3.718
  201    HA   LYS  41           HA       LYS  41  -0.443  -6.377   1.280
  202   1HB   LYS  41          2HB       LYS  41  -1.042  -8.427   3.299
  203   2HB   LYS  41          1HB       LYS  41  -0.324  -8.579   1.712
  204   1HG   LYS  41          2HG       LYS  41   1.805  -7.674   2.722
  205   2HG   LYS  41          1HG       LYS  41   1.040  -7.933   4.291
  206   1HD   LYS  41          2HD       LYS  41   1.374 -10.083   2.209
  207   2HD   LYS  41          1HD       LYS  41   2.511  -9.805   3.530
  208   1HE   LYS  41          2HE       LYS  41  -0.396 -10.573   3.758
  209   2HE   LYS  41          1HE       LYS  41   1.003 -11.574   4.152
  210   1HZ   LYS  41          1HZ       LYS  41   1.572  -9.967   5.898
  211   2HZ   LYS  41          2HZ       LYS  41   0.054 -10.666   6.151
  212   3HZ   LYS  41          3HZ       LYS  41   0.167  -9.090   5.550
  213    HA   PRO  42           HA       PRO  42  -4.417  -4.939   2.914
  214   1HB   PRO  42          2HB       PRO  42  -5.333  -4.565   0.220
  215   2HB   PRO  42          1HB       PRO  42  -4.861  -3.338   1.394
  216   1HG   PRO  42          2HG       PRO  42  -3.478  -3.930  -0.925
  217   2HG   PRO  42          1HG       PRO  42  -2.805  -3.097   0.487
  218   1HD   PRO  42          2HD       PRO  42  -2.519  -5.948  -0.350
  219   2HD   PRO  42          1HD       PRO  42  -1.346  -4.878   0.444
  Start of MODEL    7
    1    H    SER  15           H        SER  15  -8.529  -3.080  -2.786
    2    HA   SER  15           HA       SER  15 -10.199  -2.384  -5.002
    3   1HB   SER  15          2HB       SER  15 -11.254  -4.229  -2.857
    4   2HB   SER  15          1HB       SER  15 -12.305  -3.274  -3.904
    5    HG   SER  15           HG       SER  15 -12.129  -5.041  -5.080
    6    H    MET  16           H        MET  16 -10.410  -2.693  -1.459
    7    HA   MET  16           HA       MET  16 -11.572  -0.073  -1.193
    8   1HB   MET  16          2HB       MET  16 -10.541  -1.995   0.904
    9   2HB   MET  16          1HB       MET  16 -11.451  -0.529   1.235
   10   1HG   MET  16          2HG       MET  16 -13.391  -1.418   0.144
   11   2HG   MET  16          1HG       MET  16 -12.490  -2.835  -0.391
   12   1HE   MET  16          1HE       MET  16 -13.404  -1.971   4.055
   13   2HE   MET  16          2HE       MET  16 -13.900  -0.900   2.746
   14   3HE   MET  16          3HE       MET  16 -12.189  -1.096   3.126
   15    H    TRP  17           H        TRP  17  -8.452  -1.239  -1.579
   16    HA   TRP  17           HA       TRP  17  -7.286   1.077  -0.185
   17   1HB   TRP  17          2HB       TRP  17  -5.897  -1.466  -1.044
   18   2HB   TRP  17          1HB       TRP  17  -5.178  -0.140  -0.141
   19    HD1  TRP  17           HD       TRP  17  -8.081  -2.680   0.333
   20    HE1  TRP  17           1HE      TRP  17  -8.170  -3.274   2.834
   21    HE3  TRP  17           3HE      TRP  17  -4.394   0.405   2.006
   22    HZ2  TRP  17           2HZ      TRP  17  -6.847  -2.514   5.216
   23    HZ3  TRP  17           3HZ      TRP  17  -3.855   0.417   4.399
   24    HH2  TRP  17           HH       TRP  17  -5.054  -1.013   5.979
   25    H    THR  18           H        THR  18  -6.213   2.583  -1.288
   26    HA   THR  18           HA       THR  18  -5.860   2.166  -4.169
   27    HB   THR  18           HB       THR  18  -5.753   4.683  -4.269
   28    HG1  THR  18           1HG      THR  18  -7.085   5.289  -2.091
   29   1HG2  THR  18          1HG2      THR  18  -8.182   4.999  -4.052
   30   2HG2  THR  18          2HG2      THR  18  -8.295   3.467  -3.186
   31   3HG2  THR  18          3HG2      THR  18  -7.791   3.490  -4.876
   32    H    GLU  19           H        GLU  19  -3.785   1.767  -4.739
   33    HA   GLU  19           HA       GLU  19  -1.665   2.734  -2.996
   34   1HB   GLU  19          2HB       GLU  19  -0.278   1.047  -3.899
   35   2HB   GLU  19          1HB       GLU  19  -1.840   0.306  -3.609
   36   1HG   GLU  19          2HG       GLU  19  -2.368   0.615  -6.014
   37   2HG   GLU  19          1HG       GLU  19  -0.719   1.197  -6.251
   38    H    HIS  20           H        HIS  20  -0.306   4.282  -3.527
   39    HA   HIS  20           HA       HIS  20   0.215   4.947  -6.320
   40   1HB   HIS  20          2HB       HIS  20  -0.686   7.066  -4.361
   41   2HB   HIS  20          1HB       HIS  20  -0.296   7.290  -6.062
   42    HD1  HIS  20           1HD      HIS  20  -2.060   6.410  -7.795
   43    HD2  HIS  20           2HD      HIS  20  -3.259   6.195  -3.818
   44    HE1  HIS  20           1HE      HIS  20  -4.543   6.018  -7.861
   45    HE2  HIS  20           2HE      HIS  20  -5.259   5.976  -5.444
   46    H    LYS  21           H        LYS  21   2.229   5.913  -6.647
   47    HA   LYS  21           HA       LYS  21   4.290   5.417  -4.951
   48   1HB   LYS  21          2HB       LYS  21   4.132   7.748  -6.862
   49   2HB   LYS  21          1HB       LYS  21   5.607   7.026  -6.229
   50   1HG   LYS  21          2HG       LYS  21   5.599   5.765  -8.056
   51   2HG   LYS  21          1HG       LYS  21   4.278   4.887  -7.283
   52   1HD   LYS  21          2HD       LYS  21   2.652   6.334  -8.389
   53   2HD   LYS  21          1HD       LYS  21   3.966   7.231  -9.153
   54   1HE   LYS  21          2HE       LYS  21   4.674   5.196 -10.317
   55   2HE   LYS  21          1HE       LYS  21   3.361   4.301  -9.551
   56   1HZ   LYS  21          1HZ       LYS  21   1.777   5.740 -10.677
   57   2HZ   LYS  21          2HZ       LYS  21   2.782   4.964 -11.794
   58   3HZ   LYS  21          3HZ       LYS  21   3.040   6.592 -11.415
   59    H    SER  22           H        SER  22   5.614   6.665  -3.601
   60    HA   SER  22           HA       SER  22   4.966   9.257  -2.685
   61   1HB   SER  22          2HB       SER  22   3.635   6.978  -1.389
   62   2HB   SER  22          1HB       SER  22   4.465   8.055  -0.267
   63    HG   SER  22           HG       SER  22   2.918   9.432  -0.551
   64    HA   PRO  23           HA       PRO  23   8.878   9.598  -0.568
   65   1HB   PRO  23          2HB       PRO  23   7.791   8.612   2.005
   66   2HB   PRO  23          1HB       PRO  23   8.700  10.082   1.656
   67   1HG   PRO  23          2HG       PRO  23   5.897   9.828   1.955
   68   2HG   PRO  23          1HG       PRO  23   6.793  11.265   1.442
   69   1HD   PRO  23          2HD       PRO  23   5.017   9.784  -0.127
   70   2HD   PRO  23          1HD       PRO  23   6.187  10.965  -0.727
   71    H    ASP  24           H        ASP  24  10.624   8.317   0.039
   72    HA   ASP  24           HA       ASP  24  11.876   6.440   0.311
   73   1HB   ASP  24          2HB       ASP  24   9.247   5.087   0.969
   74   2HB   ASP  24          1HB       ASP  24  10.836   4.367   1.180
   75    H    GLY  25           H        GLY  25   9.831   7.096  -2.055
   76   1HA   GLY  25          2HA       GLY  25   9.585   6.404  -4.228
   77   2HA   GLY  25          1HA       GLY  25  11.084   5.513  -3.989
   78    H    ARG  26           H        ARG  26   7.893   5.206  -2.520
   79    HA   ARG  26           HA       ARG  26   7.512   2.630  -3.828
   80   1HB   ARG  26          2HB       ARG  26   6.769   1.730  -1.504
   81   2HB   ARG  26          1HB       ARG  26   8.478   1.764  -1.901
   82   1HG   ARG  26          2HG       ARG  26   8.587   3.973  -0.705
   83   2HG   ARG  26          1HG       ARG  26   6.971   3.618  -0.102
   84   1HD   ARG  26          2HD       ARG  26   9.504   2.066   0.367
   85   2HD   ARG  26          1HD       ARG  26   8.519   2.911   1.559
   86    HE   ARG  26           HE       ARG  26   6.774   1.127   0.675
   87   1HH1  ARG  26          1HH1      ARG  26  10.138   0.737   1.499
   88   2HH1  ARG  26          2HH1      ARG  26   9.959  -0.911   1.998
   89   1HH2  ARG  26          1HH2      ARG  26   6.528  -1.046   1.331
   90   2HH2  ARG  26          2HH2      ARG  26   7.907  -1.925   1.902
   91    H    THR  27           H        THR  27   5.245   1.794  -3.355
   92    HA   THR  27           HA       THR  27   3.452   4.118  -3.394
   93    HB   THR  27           HB       THR  27   3.271   2.833  -5.406
   94    HG1  THR  27           1HG      THR  27   1.081   2.165  -3.708
   95   1HG2  THR  27          1HG2      THR  27   2.890   0.452  -3.594
   96   2HG2  THR  27          2HG2      THR  27   4.193   0.723  -4.752
   97   3HG2  THR  27          3HG2      THR  27   2.548   0.434  -5.323
   98    H    TYR  28           H        TYR  28   1.919   4.404  -1.903
   99    HA   TYR  28           HA       TYR  28   1.658   2.365   0.199
  100   1HB   TYR  28          2HB       TYR  28   0.936   4.100   1.677
  101   2HB   TYR  28          1HB       TYR  28   2.342   4.727   0.832
  102    HD1  TYR  28           1HD      TYR  28  -1.212   5.108   1.430
  103    HD2  TYR  28           2HD      TYR  28   2.052   6.437  -0.951
  104    HE1  TYR  28           1HE      TYR  28  -2.525   7.068   0.733
  105    HE2  TYR  28           2HE      TYR  28   0.745   8.398  -1.655
  106    HH   TYR  28           HH       TYR  28  -2.136   9.334  -0.131
  107    H    TYR  29           H        TYR  29  -0.367   1.704   0.908
  108    HA   TYR  29           HA       TYR  29  -2.507   2.142  -1.049
  109   1HB   TYR  29          2HB       TYR  29  -2.699   0.032   1.052
  110   2HB   TYR  29          1HB       TYR  29  -3.328   0.030  -0.583
  111    HD1  TYR  29           1HD      TYR  29  -2.180  -1.095  -2.290
  112    HD2  TYR  29           2HD      TYR  29  -0.161  -0.223   1.354
  113    HE1  TYR  29           1HE      TYR  29  -0.275  -2.470  -3.019
  114    HE2  TYR  29           2HE      TYR  29   1.747  -1.594   0.633
  115    HH   TYR  29           HH       TYR  29   2.155  -2.650  -2.543
  116    H    TYR  30           H        TYR  30  -3.999   3.516  -0.499
  117    HA   TYR  30           HA       TYR  30  -4.447   4.121   2.328
  118   1HB   TYR  30          2HB       TYR  30  -3.913   6.127   1.275
  119   2HB   TYR  30          1HB       TYR  30  -4.750   5.690  -0.210
  120    HD1  TYR  30           1HD      TYR  30  -6.774   6.712  -0.652
  121    HD2  TYR  30           2HD      TYR  30  -5.493   6.391   3.392
  122    HE1  TYR  30           1HE      TYR  30  -8.731   8.019   0.066
  123    HE2  TYR  30           2HE      TYR  30  -7.445   7.697   4.121
  124    HH   TYR  30           HH       TYR  30 -10.086   8.335   2.103
  125    H    ASN  31           H        ASN  31  -6.039   2.950   3.140
  126    HA   ASN  31           HA       ASN  31  -8.122   1.802   1.606
  127   1HB   ASN  31          2HB       ASN  31  -7.169   1.153   3.974
  128   2HB   ASN  31          1HB       ASN  31  -8.363   2.304   4.560
  129   1HD2  ASN  31          1HD2      ASN  31 -10.184   1.630   2.323
  130   2HD2  ASN  31          2HD2      ASN  31 -10.891   0.116   2.754
  131    H    THR  32           H        THR  32  -9.572   3.047   0.603
  132    HA   THR  32           HA       THR  32 -10.187   5.698   1.322
  133    HB   THR  32           HB       THR  32 -12.032   5.530  -0.311
  134    HG1  THR  32           1HG      THR  32 -12.616   3.608  -1.152
  135   1HG2  THR  32          1HG2      THR  32 -10.642   4.982  -2.275
  136   2HG2  THR  32          2HG2      THR  32  -9.428   4.288  -1.201
  137   3HG2  THR  32          3HG2      THR  32  -9.793   6.011  -1.121
  138    H    GLU  33           H        GLU  33 -11.931   2.660   1.909
  139    HA   GLU  33           HA       GLU  33 -14.176   3.908   3.125
  140   1HB   GLU  33          2HB       GLU  33 -14.538   1.777   2.184
  141   2HB   GLU  33          1HB       GLU  33 -13.152   1.090   3.019
  142   1HG   GLU  33          2HG       GLU  33 -15.202   0.294   4.009
  143   2HG   GLU  33          1HG       GLU  33 -14.343   1.323   5.153
  144    H    THR  34           H        THR  34 -11.410   2.141   4.416
  145    HA   THR  34           HA       THR  34 -12.127   2.638   7.145
  146    HB   THR  34           HB       THR  34  -9.526   1.623   5.987
  147    HG1  THR  34           1HG      THR  34 -10.852  -0.014   5.610
  148   1HG2  THR  34          1HG2      THR  34 -10.567   1.540   8.821
  149   2HG2  THR  34          2HG2      THR  34  -9.232   2.534   8.239
  150   3HG2  THR  34          3HG2      THR  34  -9.085   0.778   8.244
  151    H    LYS  35           H        LYS  35  -9.749   3.935   4.894
  152    HA   LYS  35           HA       LYS  35  -8.820   6.009   4.735
  153   1HB   LYS  35          2HB       LYS  35  -9.949   6.554   7.499
  154   2HB   LYS  35          1HB       LYS  35  -9.144   7.729   6.471
  155   1HG   LYS  35          2HG       LYS  35 -10.926   7.539   4.827
  156   2HG   LYS  35          1HG       LYS  35 -11.732   6.329   5.827
  157   1HD   LYS  35          2HD       LYS  35 -11.104   9.113   6.788
  158   2HD   LYS  35          1HD       LYS  35 -12.630   8.681   6.011
  159   1HE   LYS  35          2HE       LYS  35 -13.015   6.989   7.756
  160   2HE   LYS  35          1HE       LYS  35 -11.514   7.477   8.543
  161   1HZ   LYS  35          1HZ       LYS  35 -13.423   8.512   9.586
  162   2HZ   LYS  35          2HZ       LYS  35 -13.890   9.207   8.116
  163   3HZ   LYS  35          3HZ       LYS  35 -12.448   9.688   8.858
  164    H    GLN  36           H        GLN  36  -7.490   3.911   5.105
  165    HA   GLN  36           HA       GLN  36  -5.466   4.649   7.127
  166   1HB   GLN  36          2HB       GLN  36  -6.840   2.576   7.689
  167   2HB   GLN  36          1HB       GLN  36  -6.042   1.803   6.325
  168   1HG   GLN  36          2HG       GLN  36  -3.939   2.857   7.729
  169   2HG   GLN  36          1HG       GLN  36  -5.054   2.369   9.004
  170   1HE2  GLN  36          1HE2      GLN  36  -3.091   1.306   6.346
  171   2HE2  GLN  36          2HE2      GLN  36  -3.103  -0.374   6.739
  172    H    SER  37           H        SER  37  -3.943   5.538   5.921
  173    HA   SER  37           HA       SER  37  -3.091   4.209   3.451
  174   1HB   SER  37          2HB       SER  37  -1.875   6.338   2.998
  175   2HB   SER  37          1HB       SER  37  -3.612   6.563   3.189
  176    HG   SER  37           HG       SER  37  -3.297   7.554   5.072
  177    H    THR  38           H        THR  38  -1.418   2.851   3.614
  178    HA   THR  38           HA       THR  38   1.038   3.612   4.873
  179    HB   THR  38           HB       THR  38  -0.334   2.832   6.843
  180    HG1  THR  38           1HG      THR  38   1.423   1.284   7.482
  181   1HG2  THR  38          1HG2      THR  38  -0.722   0.453   7.116
  182   2HG2  THR  38          2HG2      THR  38  -0.017   0.129   5.533
  183   3HG2  THR  38          3HG2      THR  38  -1.533   1.021   5.657
  184    H    TRP  39           H        TRP  39   2.667   1.706   4.758
  185    HA   TRP  39           HA       TRP  39   2.154   0.306   2.224
  186   1HB   TRP  39          2HB       TRP  39   4.814  -0.007   3.453
  187   2HB   TRP  39          1HB       TRP  39   4.391   0.366   1.789
  188    HD1  TRP  39           HD       TRP  39   5.222   1.967   5.116
  189    HE1  TRP  39           1HE      TRP  39   5.915   4.427   4.695
  190    HE3  TRP  39           3HE      TRP  39   4.017   2.300   0.180
  191    HZ2  TRP  39           2HZ      TRP  39   5.945   6.234   2.535
  192    HZ3  TRP  39           3HZ      TRP  39   4.407   4.423  -0.997
  193    HH2  TRP  39           HH       TRP  39   5.351   6.351   0.162
  194    H    GLU  40           H        GLU  40   1.087  -1.553   2.672
  195    HA   GLU  40           HA       GLU  40   2.478  -3.660   3.987
  196   1HB   GLU  40          2HB       GLU  40   1.330  -3.887   5.957
  197   2HB   GLU  40          1HB       GLU  40   1.242  -2.137   5.790
  198   1HG   GLU  40          2HG       GLU  40  -0.993  -2.365   4.798
  199   2HG   GLU  40          1HG       GLU  40  -0.904  -4.108   5.037
  200    H    LYS  41           H        LYS  41   1.241  -5.703   3.873
  201    HA   LYS  41           HA       LYS  41  -0.030  -6.033   1.399
  202   1HB   LYS  41          2HB       LYS  41  -0.685  -8.256   2.800
  203   2HB   LYS  41          1HB       LYS  41   0.847  -8.032   1.983
  204   1HG   LYS  41          2HG       LYS  41   1.953  -7.545   3.971
  205   2HG   LYS  41          1HG       LYS  41   0.450  -7.184   4.821
  206   1HD   LYS  41          2HD       LYS  41   1.261  -9.308   5.593
  207   2HD   LYS  41          1HD       LYS  41  -0.171  -9.590   4.602
  208   1HE   LYS  41          2HE       LYS  41   1.277 -10.142   2.694
  209   2HE   LYS  41          1HE       LYS  41   2.697  -9.891   3.710
  210   1HZ   LYS  41          1HZ       LYS  41   0.593 -11.945   4.137
  211   2HZ   LYS  41          2HZ       LYS  41   1.929 -11.693   5.142
  212   3HZ   LYS  41          3HZ       LYS  41   2.156 -12.228   3.554
  213    HA   PRO  42           HA       PRO  42  -4.029  -4.714   3.096
  214   1HB   PRO  42          2HB       PRO  42  -4.970  -4.449   0.382
  215   2HB   PRO  42          1HB       PRO  42  -4.615  -3.181   1.555
  216   1HG   PRO  42          2HG       PRO  42  -3.152  -3.613  -0.721
  217   2HG   PRO  42          1HG       PRO  42  -2.519  -2.838   0.742
  218   1HD   PRO  42          2HD       PRO  42  -2.191  -5.661  -0.205
  219   2HD   PRO  42          1HD       PRO  42  -1.004  -4.584   0.563
  Start of MODEL    8
    1    H    SER  15           H        SER  15  -8.606  -3.382  -2.299
    2    HA   SER  15           HA       SER  15 -10.412  -2.935  -4.522
    3   1HB   SER  15          2HB       SER  15 -11.318  -4.410  -2.036
    4   2HB   SER  15          1HB       SER  15 -12.377  -3.832  -3.322
    5    HG   SER  15           HG       SER  15 -11.804  -5.466  -4.525
    6    H    MET  16           H        MET  16 -10.356  -2.778  -0.964
    7    HA   MET  16           HA       MET  16 -11.564  -0.145  -1.010
    8   1HB   MET  16          2HB       MET  16 -10.592  -1.845   1.297
    9   2HB   MET  16          1HB       MET  16 -11.464  -0.327   1.460
   10   1HG   MET  16          2HG       MET  16 -13.422  -1.275   0.464
   11   2HG   MET  16          1HG       MET  16 -12.557  -2.760   0.073
   12   1HE   MET  16          1HE       MET  16 -12.198  -0.711   3.419
   13   2HE   MET  16          2HE       MET  16 -13.461  -1.441   4.409
   14   3HE   MET  16          3HE       MET  16 -13.894  -0.481   2.994
   15    H    TRP  17           H        TRP  17  -8.484  -1.360  -1.317
   16    HA   TRP  17           HA       TRP  17  -7.269   1.068  -0.173
   17   1HB   TRP  17          2HB       TRP  17  -5.822  -1.516  -0.742
   18   2HB   TRP  17          1HB       TRP  17  -5.245  -0.143   0.190
   19    HD1  TRP  17           HD       TRP  17  -8.194  -2.671   0.461
   20    HE1  TRP  17           1HE      TRP  17  -8.462  -3.268   2.947
   21    HE3  TRP  17           3HE      TRP  17  -4.534   0.305   2.390
   22    HZ2  TRP  17           2HZ      TRP  17  -7.275  -2.556   5.414
   23    HZ3  TRP  17           3HZ      TRP  17  -4.153   0.291   4.815
   24    HH2  TRP  17           HH       TRP  17  -5.494  -1.112   6.302
   25    H    THR  18           H        THR  18  -6.349   2.455  -1.515
   26    HA   THR  18           HA       THR  18  -5.880   1.623  -4.285
   27    HB   THR  18           HB       THR  18  -5.878   4.028  -4.816
   28    HG1  THR  18           1HG      THR  18  -5.240   5.063  -3.003
   29   1HG2  THR  18          1HG2      THR  18  -7.989   2.779  -4.899
   30   2HG2  THR  18          2HG2      THR  18  -8.247   4.462  -4.438
   31   3HG2  THR  18          3HG2      THR  18  -8.292   3.195  -3.212
   32    H    GLU  19           H        GLU  19  -3.807   1.572  -5.076
   33    HA   GLU  19           HA       GLU  19  -1.711   2.416  -3.223
   34   1HB   GLU  19          2HB       GLU  19  -0.296   0.809  -4.170
   35   2HB   GLU  19          1HB       GLU  19  -1.857   0.020  -4.057
   36   1HG   GLU  19          2HG       GLU  19  -2.225   0.583  -6.459
   37   2HG   GLU  19          1HG       GLU  19  -0.562   1.169  -6.510
   38    H    HIS  20           H        HIS  20  -0.386   4.036  -3.642
   39    HA   HIS  20           HA       HIS  20   0.135   4.892  -6.376
   40   1HB   HIS  20          2HB       HIS  20  -1.062   6.798  -4.349
   41   2HB   HIS  20          1HB       HIS  20  -0.494   7.228  -5.959
   42    HD1  HIS  20           1HD      HIS  20  -1.908   6.186  -7.986
   43    HD2  HIS  20           2HD      HIS  20  -3.659   5.950  -4.225
   44    HE1  HIS  20           1HE      HIS  20  -4.339   5.696  -8.407
   45    HE2  HIS  20           2HE      HIS  20  -5.363   5.477  -6.115
   46    H    LYS  21           H        LYS  21   2.016   6.197  -6.576
   47    HA   LYS  21           HA       LYS  21   4.155   5.671  -5.010
   48   1HB   LYS  21          2HB       LYS  21   3.607   8.217  -6.535
   49   2HB   LYS  21          1HB       LYS  21   5.187   7.751  -5.912
   50   1HG   LYS  21          2HG       LYS  21   5.559   6.549  -7.723
   51   2HG   LYS  21          1HG       LYS  21   4.135   5.570  -7.357
   52   1HD   LYS  21          2HD       LYS  21   2.732   7.254  -8.510
   53   2HD   LYS  21          1HD       LYS  21   4.198   8.136  -8.945
   54   1HE   LYS  21          2HE       LYS  21   3.499   5.318  -9.763
   55   2HE   LYS  21          1HE       LYS  21   3.442   6.746 -10.795
   56   1HZ   LYS  21          1HZ       LYS  21   5.893   5.675  -9.507
   57   2HZ   LYS  21          2HZ       LYS  21   5.815   6.990 -10.568
   58   3HZ   LYS  21          3HZ       LYS  21   5.462   5.433 -11.126
   59    H    SER  22           H        SER  22   5.370   6.799  -3.470
   60    HA   SER  22           HA       SER  22   4.398   9.038  -2.029
   61   1HB   SER  22          2HB       SER  22   3.833   6.275  -0.974
   62   2HB   SER  22          1HB       SER  22   4.062   7.624   0.135
   63    HG   SER  22           HG       SER  22   2.404   8.676  -1.308
   64    HA   PRO  23           HA       PRO  23   8.418   9.552  -0.219
   65   1HB   PRO  23          2HB       PRO  23   7.837   8.369   2.377
   66   2HB   PRO  23          1HB       PRO  23   8.214  10.044   1.976
   67   1HG   PRO  23          2HG       PRO  23   5.620   8.802   2.433
   68   2HG   PRO  23          1HG       PRO  23   6.033  10.519   2.330
   69   1HD   PRO  23          2HD       PRO  23   4.557   9.217   0.453
   70   2HD   PRO  23          1HD       PRO  23   5.580  10.613   0.082
   71    H    ASP  24           H        ASP  24  10.315   8.391   0.373
   72    HA   ASP  24           HA       ASP  24  11.734   6.624   0.463
   73   1HB   ASP  24          2HB       ASP  24   9.237   4.995   0.994
   74   2HB   ASP  24          1HB       ASP  24  10.883   4.396   1.143
   75    H    GLY  25           H        GLY  25   9.553   7.226  -1.846
   76   1HA   GLY  25          2HA       GLY  25   9.438   6.729  -4.083
   77   2HA   GLY  25          1HA       GLY  25  10.985   5.910  -3.884
   78    H    ARG  26           H        ARG  26   7.759   5.388  -2.583
   79    HA   ARG  26           HA       ARG  26   7.515   2.873  -4.003
   80   1HB   ARG  26          2HB       ARG  26   6.847   1.794  -1.743
   81   2HB   ARG  26          1HB       ARG  26   8.551   1.935  -2.141
   82   1HG   ARG  26          2HG       ARG  26   8.472   4.122  -0.810
   83   2HG   ARG  26          1HG       ARG  26   6.942   3.518  -0.180
   84   1HD   ARG  26          2HD       ARG  26   9.693   2.384   0.143
   85   2HD   ARG  26          1HD       ARG  26   8.521   2.815   1.386
   86    HE   ARG  26           HE       ARG  26   7.204   0.860   0.256
   87   1HH1  ARG  26          1HH1      ARG  26  10.624   1.034   0.901
   88   2HH1  ARG  26          2HH1      ARG  26  10.808  -0.679   1.077
   89   1HH2  ARG  26          1HH2      ARG  26   7.439  -1.397   0.485
   90   2HH2  ARG  26          2HH2      ARG  26   8.999  -2.060   0.840
   91    H    THR  27           H        THR  27   5.285   1.902  -3.537
   92    HA   THR  27           HA       THR  27   3.398   4.147  -3.470
   93    HB   THR  27           HB       THR  27   3.182   2.899  -5.487
   94    HG1  THR  27           1HG      THR  27   1.038   2.401  -5.345
   95   1HG2  THR  27          1HG2      THR  27   2.656   0.451  -5.443
   96   2HG2  THR  27          2HG2      THR  27   3.066   0.449  -3.726
   97   3HG2  THR  27          3HG2      THR  27   4.294   0.852  -4.926
   98    H    TYR  28           H        TYR  28   1.844   4.326  -1.982
   99    HA   TYR  28           HA       TYR  28   1.788   2.287   0.117
  100   1HB   TYR  28          2HB       TYR  28   0.840   3.988   1.591
  101   2HB   TYR  28          1HB       TYR  28   2.361   4.523   0.913
  102    HD1  TYR  28           1HD      TYR  28   0.017   4.935  -1.665
  103    HD2  TYR  28           2HD      TYR  28   1.165   6.622   2.071
  104    HE1  TYR  28           1HE      TYR  28  -1.048   7.050  -2.300
  105    HE2  TYR  28           2HE      TYR  28   0.097   8.742   1.441
  106    HH   TYR  28           HH       TYR  28  -0.557   9.942  -0.594
  107    H    TYR  29           H        TYR  29  -0.239   1.840   1.159
  108    HA   TYR  29           HA       TYR  29  -2.416   1.706  -0.798
  109   1HB   TYR  29          2HB       TYR  29  -1.830   0.018   1.641
  110   2HB   TYR  29          1HB       TYR  29  -3.250  -0.166   0.621
  111    HD1  TYR  29           1HD      TYR  29   0.370  -0.653   0.855
  112    HD2  TYR  29           2HD      TYR  29  -3.066  -1.128  -1.609
  113    HE1  TYR  29           1HE      TYR  29   1.651  -2.129  -0.636
  114    HE2  TYR  29           2HE      TYR  29  -1.794  -2.609  -3.105
  115    HH   TYR  29           HH       TYR  29   1.272  -3.867  -2.277
  116    H    TYR  30           H        TYR  30  -3.861   3.256  -0.510
  117    HA   TYR  30           HA       TYR  30  -4.409   4.194   2.210
  118   1HB   TYR  30          2HB       TYR  30  -3.797   6.025   0.853
  119   2HB   TYR  30          1HB       TYR  30  -4.763   5.453  -0.503
  120    HD1  TYR  30           1HD      TYR  30  -6.807   6.462  -0.897
  121    HD2  TYR  30           2HD      TYR  30  -5.181   6.609   3.031
  122    HE1  TYR  30           1HE      TYR  30  -8.663   7.912  -0.189
  123    HE2  TYR  30           2HE      TYR  30  -7.032   8.058   3.750
  124    HH   TYR  30           HH       TYR  30  -8.647   9.623   2.731
  125    H    ASN  31           H        ASN  31  -5.980   3.019   3.079
  126    HA   ASN  31           HA       ASN  31  -8.085   1.805   1.631
  127   1HB   ASN  31          2HB       ASN  31  -7.150   1.196   3.977
  128   2HB   ASN  31          1HB       ASN  31  -8.190   2.483   4.577
  129   1HD2  ASN  31          1HD2      ASN  31 -10.174   1.842   2.424
  130   2HD2  ASN  31          2HD2      ASN  31 -11.004   0.442   2.997
  131    H    THR  32           H        THR  32  -9.328   3.158   0.470
  132    HA   THR  32           HA       THR  32  -9.922   5.806   1.014
  133    HB   THR  32           HB       THR  32 -11.885   4.059  -0.433
  134    HG1  THR  32           1HG      THR  32  -9.500   3.666  -0.944
  135   1HG2  THR  32          1HG2      THR  32 -10.782   6.818  -0.961
  136   2HG2  THR  32          2HG2      THR  32 -12.346   6.458  -0.229
  137   3HG2  THR  32          3HG2      THR  32 -12.030   6.005  -1.905
  138    H    GLU  33           H        GLU  33 -11.564   2.894   2.112
  139    HA   GLU  33           HA       GLU  33 -13.812   4.340   3.169
  140   1HB   GLU  33          2HB       GLU  33 -14.251   2.146   2.388
  141   2HB   GLU  33          1HB       GLU  33 -12.914   1.479   3.312
  142   1HG   GLU  33          2HG       GLU  33 -15.033   0.889   4.320
  143   2HG   GLU  33          1HG       GLU  33 -14.118   1.949   5.389
  144    H    THR  34           H        THR  34 -11.458   2.214   4.731
  145    HA   THR  34           HA       THR  34 -11.980   3.127   7.341
  146    HB   THR  34           HB       THR  34  -9.506   1.747   6.283
  147    HG1  THR  34           1HG      THR  34 -11.445   0.417   7.786
  148   1HG2  THR  34          1HG2      THR  34  -9.063   2.793   8.436
  149   2HG2  THR  34          2HG2      THR  34  -9.167   1.042   8.622
  150   3HG2  THR  34          3HG2      THR  34 -10.520   2.063   9.112
  151    H    LYS  35           H        LYS  35  -9.717   4.168   4.895
  152    HA   LYS  35           HA       LYS  35  -8.620   6.150   4.626
  153   1HB   LYS  35          2HB       LYS  35  -9.333   6.814   7.496
  154   2HB   LYS  35          1HB       LYS  35  -8.676   7.916   6.296
  155   1HG   LYS  35          2HG       LYS  35 -10.736   7.662   4.971
  156   2HG   LYS  35          1HG       LYS  35 -11.397   6.631   6.244
  157   1HD   LYS  35          2HD       LYS  35 -11.227   8.460   7.838
  158   2HD   LYS  35          1HD       LYS  35 -10.504   9.490   6.600
  159   1HE   LYS  35          2HE       LYS  35 -12.559   9.331   5.276
  160   2HE   LYS  35          1HE       LYS  35 -13.278   8.304   6.516
  161   1HZ   LYS  35          1HZ       LYS  35 -12.417  11.124   6.879
  162   2HZ   LYS  35          2HZ       LYS  35 -13.073  10.140   8.087
  163   3HZ   LYS  35          3HZ       LYS  35 -14.014  10.581   6.754
  164    H    GLN  36           H        GLN  36  -7.455   3.876   4.982
  165    HA   GLN  36           HA       GLN  36  -5.317   4.377   6.954
  166   1HB   GLN  36          2HB       GLN  36  -6.645   2.329   7.318
  167   2HB   GLN  36          1HB       GLN  36  -6.141   1.739   5.742
  168   1HG   GLN  36          2HG       GLN  36  -4.814   0.730   7.487
  169   2HG   GLN  36          1HG       GLN  36  -3.813   1.777   6.479
  170   1HE2  GLN  36          1HE2      GLN  36  -2.280   2.375   7.846
  171   2HE2  GLN  36          2HE2      GLN  36  -2.532   3.197   9.343
  172    H    SER  37           H        SER  37  -3.813   5.420   5.879
  173    HA   SER  37           HA       SER  37  -2.931   4.395   3.275
  174   1HB   SER  37          2HB       SER  37  -1.762   6.561   3.019
  175   2HB   SER  37          1HB       SER  37  -3.490   6.769   3.293
  176    HG   SER  37           HG       SER  37  -1.345   7.225   5.063
  177    H    THR  38           H        THR  38  -1.419   2.831   3.568
  178    HA   THR  38           HA       THR  38   1.134   3.534   4.655
  179    HB   THR  38           HB       THR  38   0.041   3.050   6.772
  180    HG1  THR  38           1HG      THR  38   1.403   1.179   7.357
  181   1HG2  THR  38          1HG2      THR  38  -1.774   1.634   5.955
  182   2HG2  THR  38          2HG2      THR  38  -0.886   0.825   7.248
  183   3HG2  THR  38          3HG2      THR  38  -0.619   0.359   5.568
  184    H    TRP  39           H        TRP  39   2.664   1.568   4.561
  185    HA   TRP  39           HA       TRP  39   1.904  -0.005   2.199
  186   1HB   TRP  39          2HB       TRP  39   4.615  -0.501   3.006
  187   2HB   TRP  39          1HB       TRP  39   4.033   0.214   1.509
  188    HD1  TRP  39           HD       TRP  39   5.274   1.126   4.982
  189    HE1  TRP  39           1HE      TRP  39   6.216   3.534   4.906
  190    HE3  TRP  39           3HE      TRP  39   3.894   2.359   0.244
  191    HZ2  TRP  39           2HZ      TRP  39   6.343   5.658   3.049
  192    HZ3  TRP  39           3HZ      TRP  39   4.463   4.591  -0.619
  193    HH2  TRP  39           HH       TRP  39   5.662   6.208   0.759
  194    H    GLU  40           H        GLU  40   0.856  -1.788   2.833
  195    HA   GLU  40           HA       GLU  40   2.261  -3.830   4.236
  196   1HB   GLU  40          2HB       GLU  40   1.234  -3.852   6.277
  197   2HB   GLU  40          1HB       GLU  40   1.129  -2.124   5.961
  198   1HG   GLU  40          2HG       GLU  40  -1.154  -2.436   5.115
  199   2HG   GLU  40          1HG       GLU  40  -1.047  -4.153   5.499
  200    H    LYS  41           H        LYS  41   1.043  -5.854   4.261
  201    HA   LYS  41           HA       LYS  41  -0.351  -6.338   1.905
  202   1HB   LYS  41          2HB       LYS  41  -1.040  -8.404   3.541
  203   2HB   LYS  41          1HB       LYS  41   0.437  -8.323   2.605
  204   1HG   LYS  41          2HG       LYS  41   1.699  -7.697   4.465
  205   2HG   LYS  41          1HG       LYS  41   0.266  -7.230   5.384
  206   1HD   LYS  41          2HD       LYS  41   1.099  -9.313   6.254
  207   2HD   LYS  41          1HD       LYS  41  -0.423  -9.619   5.416
  208   1HE   LYS  41          2HE       LYS  41   0.827 -10.378   3.448
  209   2HE   LYS  41          1HE       LYS  41   2.342 -10.082   4.299
  210   1HZ   LYS  41          1HZ       LYS  41   1.722 -12.413   4.387
  211   2HZ   LYS  41          2HZ       LYS  41   0.249 -12.022   5.121
  212   3HZ   LYS  41          3HZ       LYS  41   1.702 -11.738   5.938
  213    HA   PRO  42           HA       PRO  42  -4.286  -4.844   3.580
  214   1HB   PRO  42          2HB       PRO  42  -5.286  -4.497   0.941
  215   2HB   PRO  42          1HB       PRO  42  -4.675  -3.254   2.030
  216   1HG   PRO  42          2HG       PRO  42  -3.478  -4.053  -0.351
  217   2HG   PRO  42          1HG       PRO  42  -2.691  -3.139   0.944
  218   1HD   PRO  42          2HD       PRO  42  -2.540  -6.051   0.315
  219   2HD   PRO  42          1HD       PRO  42  -1.291  -4.966   0.962
  Start of MODEL    9
    1    H    SER  15           H        SER  15  -8.357  -3.126  -2.730
    2    HA   SER  15           HA       SER  15  -9.905  -2.543  -5.056
    3   1HB   SER  15          2HB       SER  15 -11.109  -4.241  -2.870
    4   2HB   SER  15          1HB       SER  15 -12.090  -3.307  -4.000
    5    HG   SER  15           HG       SER  15 -11.541  -5.624  -4.500
    6    H    MET  16           H        MET  16 -10.518  -2.668  -1.552
    7    HA   MET  16           HA       MET  16 -11.589  -0.031  -1.473
    8   1HB   MET  16          2HB       MET  16 -10.667  -1.891   0.723
    9   2HB   MET  16          1HB       MET  16 -11.468  -0.354   1.012
   10   1HG   MET  16          2HG       MET  16 -13.477  -1.116   0.013
   11   2HG   MET  16          1HG       MET  16 -12.694  -2.571  -0.601
   12   1HE   MET  16          1HE       MET  16 -13.746  -0.633   2.665
   13   2HE   MET  16          2HE       MET  16 -12.059  -1.047   2.964
   14   3HE   MET  16          3HE       MET  16 -13.335  -1.813   3.909
   15    H    TRP  17           H        TRP  17  -8.429  -1.240  -1.540
   16    HA   TRP  17           HA       TRP  17  -7.347   1.164  -0.245
   17   1HB   TRP  17          2HB       TRP  17  -5.899  -1.380  -1.007
   18   2HB   TRP  17          1HB       TRP  17  -5.223  -0.024  -0.111
   19    HD1  TRP  17           HD       TRP  17  -8.198  -2.494   0.348
   20    HE1  TRP  17           1HE      TRP  17  -8.327  -3.070   2.851
   21    HE3  TRP  17           3HE      TRP  17  -4.387   0.437   2.029
   22    HZ2  TRP  17           2HZ      TRP  17  -6.988  -2.356   5.235
   23    HZ3  TRP  17           3HZ      TRP  17  -3.864   0.439   4.429
   24    HH2  TRP  17           HH       TRP  17  -5.135  -0.932   6.004
   25    H    THR  18           H        THR  18  -6.341   2.682  -1.368
   26    HA   THR  18           HA       THR  18  -5.888   2.210  -4.222
   27    HB   THR  18           HB       THR  18  -5.834   4.711  -4.385
   28    HG1  THR  18           1HG      THR  18  -5.947   4.451  -1.678
   29   1HG2  THR  18          1HG2      THR  18  -8.347   3.508  -3.222
   30   2HG2  THR  18          2HG2      THR  18  -7.873   3.486  -4.920
   31   3HG2  THR  18          3HG2      THR  18  -8.263   5.015  -4.133
   32    H    GLU  19           H        GLU  19  -3.793   1.795  -4.713
   33    HA   GLU  19           HA       GLU  19  -1.727   2.842  -2.954
   34   1HB   GLU  19          2HB       GLU  19  -0.308   1.134  -3.735
   35   2HB   GLU  19          1HB       GLU  19  -1.878   0.387  -3.502
   36   1HG   GLU  19          2HG       GLU  19  -0.692   1.253  -6.129
   37   2HG   GLU  19          1HG       GLU  19  -0.831  -0.401  -5.537
   38    H    HIS  20           H        HIS  20  -0.299   4.321  -3.505
   39    HA   HIS  20           HA       HIS  20   0.235   4.935  -6.312
   40   1HB   HIS  20          2HB       HIS  20  -0.596   7.097  -4.369
   41   2HB   HIS  20          1HB       HIS  20  -0.210   7.294  -6.074
   42    HD1  HIS  20           1HD      HIS  20  -2.034   6.606  -7.785
   43    HD2  HIS  20           2HD      HIS  20  -3.169   6.165  -3.809
   44    HE1  HIS  20           1HE      HIS  20  -4.526   6.258  -7.830
   45    HE2  HIS  20           2HE      HIS  20  -5.202   6.104  -5.408
   46    H    LYS  21           H        LYS  21   2.281   5.806  -6.664
   47    HA   LYS  21           HA       LYS  21   4.327   5.325  -4.946
   48   1HB   LYS  21          2HB       LYS  21   4.109   7.428  -7.091
   49   2HB   LYS  21          1HB       LYS  21   5.617   7.051  -6.262
   50   1HG   LYS  21          2HG       LYS  21   5.957   5.267  -7.523
   51   2HG   LYS  21          1HG       LYS  21   4.330   4.672  -7.192
   52   1HD   LYS  21          2HD       LYS  21   3.452   6.163  -8.946
   53   2HD   LYS  21          1HD       LYS  21   5.100   6.687  -9.301
   54   1HE   LYS  21          2HE       LYS  21   5.705   4.398  -9.893
   55   2HE   LYS  21          1HE       LYS  21   4.068   3.862  -9.518
   56   1HZ   LYS  21          1HZ       LYS  21   4.823   5.781 -11.653
   57   2HZ   LYS  21          2HZ       LYS  21   3.244   5.302 -11.284
   58   3HZ   LYS  21          3HZ       LYS  21   4.351   4.173 -11.884
   59    H    SER  22           H        SER  22   5.728   6.657  -3.717
   60    HA   SER  22           HA       SER  22   5.059   9.269  -2.856
   61   1HB   SER  22          2HB       SER  22   4.605   8.197  -0.406
   62   2HB   SER  22          1HB       SER  22   3.313   8.618  -1.532
   63    HG   SER  22           HG       SER  22   3.242   6.487  -2.206
   64    HA   PRO  23           HA       PRO  23   9.053   9.642  -0.893
   65   1HB   PRO  23          2HB       PRO  23   8.243   8.988   1.824
   66   2HB   PRO  23          1HB       PRO  23   8.818  10.524   1.175
   67   1HG   PRO  23          2HG       PRO  23   6.074   9.616   1.641
   68   2HG   PRO  23          1HG       PRO  23   6.681  11.258   1.372
   69   1HD   PRO  23          2HD       PRO  23   5.176   9.963  -0.456
   70   2HD   PRO  23          1HD       PRO  23   6.459  11.096  -0.925
   71    H    ASP  24           H        ASP  24  10.764   8.370  -0.091
   72    HA   ASP  24           HA       ASP  24  11.935   6.475   0.379
   73   1HB   ASP  24          2HB       ASP  24   9.253   5.158   0.883
   74   2HB   ASP  24          1HB       ASP  24  10.825   4.507   1.325
   75    H    GLY  25           H        GLY  25   9.827   6.980  -2.068
   76   1HA   GLY  25          2HA       GLY  25   9.744   6.254  -4.241
   77   2HA   GLY  25          1HA       GLY  25  11.211   5.341  -3.902
   78    H    ARG  26           H        ARG  26   7.930   5.217  -2.631
   79    HA   ARG  26           HA       ARG  26   7.487   2.623  -3.833
   80   1HB   ARG  26          2HB       ARG  26   6.741   1.794  -1.480
   81   2HB   ARG  26          1HB       ARG  26   8.437   1.714  -1.928
   82   1HG   ARG  26          2HG       ARG  26   8.741   3.902  -0.747
   83   2HG   ARG  26          1HG       ARG  26   7.098   3.722  -0.145
   84   1HD   ARG  26          2HD       ARG  26   8.735   2.928   1.481
   85   2HD   ARG  26          1HD       ARG  26   7.692   1.623   0.923
   86    HE   ARG  26           HE       ARG  26  10.120   1.809  -0.577
   87   1HH1  ARG  26          1HH1      ARG  26   8.708   0.587   2.367
   88   2HH1  ARG  26          2HH1      ARG  26   9.876  -0.678   2.552
   89   1HH2  ARG  26          1HH2      ARG  26  11.658   0.143  -0.341
   90   2HH2  ARG  26          2HH2      ARG  26  11.552  -0.931   1.015
   91    H    THR  27           H        THR  27   5.238   1.854  -3.325
   92    HA   THR  27           HA       THR  27   3.484   4.205  -3.304
   93    HB   THR  27           HB       THR  27   3.217   3.007  -5.340
   94    HG1  THR  27           1HG      THR  27   1.007   1.962  -4.829
   95   1HG2  THR  27          1HG2      THR  27   4.252   0.905  -4.750
   96   2HG2  THR  27          2HG2      THR  27   2.636   0.592  -5.382
   97   3HG2  THR  27          3HG2      THR  27   2.932   0.524  -3.646
   98    H    TYR  28           H        TYR  28   1.937   4.464  -1.791
   99    HA   TYR  28           HA       TYR  28   1.688   2.336   0.223
  100   1HB   TYR  28          2HB       TYR  28   0.889   4.013   1.775
  101   2HB   TYR  28          1HB       TYR  28   2.393   4.573   1.064
  102    HD1  TYR  28           1HD      TYR  28   2.509   6.733   0.261
  103    HD2  TYR  28           2HD      TYR  28  -1.312   4.905   0.617
  104    HE1  TYR  28           1HE      TYR  28   1.441   8.862  -0.348
  105    HE2  TYR  28           2HE      TYR  28  -2.391   7.027   0.004
  106    HH   TYR  28           HH       TYR  28  -0.692   9.643  -1.310
  107    H    TYR  29           H        TYR  29  -0.375   1.735   0.990
  108    HA   TYR  29           HA       TYR  29  -2.474   2.151  -1.015
  109   1HB   TYR  29          2HB       TYR  29  -2.748   0.074   1.098
  110   2HB   TYR  29          1HB       TYR  29  -3.290   0.045  -0.565
  111    HD1  TYR  29           1HD      TYR  29  -1.964  -0.945  -2.264
  112    HD2  TYR  29           2HD      TYR  29  -0.327  -0.350   1.615
  113    HE1  TYR  29           1HE      TYR  29  -0.039  -2.348  -2.869
  114    HE2  TYR  29           2HE      TYR  29   1.606  -1.749   1.020
  115    HH   TYR  29           HH       TYR  29   2.302  -2.665  -2.165
  116    H    TYR  30           H        TYR  30  -3.990   3.524  -0.516
  117    HA   TYR  30           HA       TYR  30  -4.519   4.129   2.301
  118   1HB   TYR  30          2HB       TYR  30  -3.938   6.132   1.255
  119   2HB   TYR  30          1HB       TYR  30  -4.767   5.708  -0.240
  120    HD1  TYR  30           1HD      TYR  30  -6.754   6.795  -0.695
  121    HD2  TYR  30           2HD      TYR  30  -5.562   6.346   3.365
  122    HE1  TYR  30           1HE      TYR  30  -8.706   8.111   0.018
  123    HE2  TYR  30           2HE      TYR  30  -7.511   7.660   4.089
  124    HH   TYR  30           HH       TYR  30 -10.099   8.398   2.028
  125    H    ASN  31           H        ASN  31  -6.102   2.859   3.016
  126    HA   ASN  31           HA       ASN  31  -8.190   1.818   1.399
  127   1HB   ASN  31          2HB       ASN  31  -7.259   0.923   3.655
  128   2HB   ASN  31          1HB       ASN  31  -8.324   2.108   4.400
  129   1HD2  ASN  31          1HD2      ASN  31 -10.270   1.714   2.152
  130   2HD2  ASN  31          2HD2      ASN  31 -11.089   0.247   2.538
  131    H    THR  32           H        THR  32  -9.639   3.155   0.498
  132    HA   THR  32           HA       THR  32 -10.242   5.743   1.318
  133    HB   THR  32           HB       THR  32 -12.303   5.531  -0.076
  134    HG1  THR  32           1HG      THR  32 -12.358   3.444  -1.280
  135   1HG2  THR  32          1HG2      THR  32  -9.782   4.434  -1.329
  136   2HG2  THR  32          2HG2      THR  32 -10.152   6.141  -1.085
  137   3HG2  THR  32          3HG2      THR  32 -11.128   5.178  -2.193
  138    H    GLU  33           H        GLU  33 -12.220   2.816   1.831
  139    HA   GLU  33           HA       GLU  33 -14.242   4.000   3.344
  140   1HB   GLU  33          2HB       GLU  33 -13.988   1.584   2.384
  141   2HB   GLU  33          1HB       GLU  33 -13.258   1.235   3.935
  142   1HG   GLU  33          2HG       GLU  33 -15.520   0.639   4.129
  143   2HG   GLU  33          1HG       GLU  33 -15.327   2.152   5.011
  144    H    THR  34           H        THR  34 -11.898   1.797   4.647
  145    HA   THR  34           HA       THR  34 -12.116   2.469   7.314
  146    HB   THR  34           HB       THR  34  -9.617   1.476   5.933
  147    HG1  THR  34           1HG      THR  34 -10.519  -0.482   5.987
  148   1HG2  THR  34          1HG2      THR  34 -10.544   1.175   8.787
  149   2HG2  THR  34          2HG2      THR  34  -9.248   2.237   8.237
  150   3HG2  THR  34          3HG2      THR  34  -9.076   0.488   8.091
  151    H    LYS  35           H        LYS  35  -9.853   3.755   4.915
  152    HA   LYS  35           HA       LYS  35  -8.885   5.813   4.732
  153   1HB   LYS  35          2HB       LYS  35  -9.861   6.360   7.549
  154   2HB   LYS  35          1HB       LYS  35  -9.080   7.521   6.489
  155   1HG   LYS  35          2HG       LYS  35 -10.954   7.372   4.935
  156   2HG   LYS  35          1HG       LYS  35 -11.736   6.195   5.992
  157   1HD   LYS  35          2HD       LYS  35 -11.708   7.909   7.803
  158   2HD   LYS  35          1HD       LYS  35 -11.109   9.075   6.622
  159   1HE   LYS  35          2HE       LYS  35 -13.124   8.676   5.253
  160   2HE   LYS  35          1HE       LYS  35 -13.727   7.582   6.497
  161   1HZ   LYS  35          1HZ       LYS  35 -13.694   9.446   8.063
  162   2HZ   LYS  35          2HZ       LYS  35 -14.712   9.751   6.748
  163   3HZ   LYS  35          3HZ       LYS  35 -13.190  10.485   6.827
  164    H    GLN  36           H        GLN  36  -7.586   3.658   5.048
  165    HA   GLN  36           HA       GLN  36  -5.527   4.260   7.082
  166   1HB   GLN  36          2HB       GLN  36  -6.696   2.144   7.515
  167   2HB   GLN  36          1HB       GLN  36  -6.261   1.580   5.910
  168   1HG   GLN  36          2HG       GLN  36  -4.827   0.617   7.627
  169   2HG   GLN  36          1HG       GLN  36  -3.913   1.616   6.498
  170   1HE2  GLN  36          1HE2      GLN  36  -3.060   3.576   7.197
  171   2HE2  GLN  36          2HE2      GLN  36  -2.906   3.966   8.872
  172    H    SER  37           H        SER  37  -4.065   5.367   6.012
  173    HA   SER  37           HA       SER  37  -3.103   4.393   3.417
  174   1HB   SER  37          2HB       SER  37  -3.737   6.725   3.382
  175   2HB   SER  37          1HB       SER  37  -2.749   7.063   4.803
  176    HG   SER  37           HG       SER  37  -0.918   6.723   3.594
  177    H    THR  38           H        THR  38  -1.495   2.944   3.671
  178    HA   THR  38           HA       THR  38   0.968   3.712   4.911
  179    HB   THR  38           HB       THR  38  -0.215   3.085   6.949
  180    HG1  THR  38           1HG      THR  38   2.083   2.351   6.396
  181   1HG2  THR  38          1HG2      THR  38  -1.019   0.801   7.299
  182   2HG2  THR  38          2HG2      THR  38  -0.601   0.392   5.636
  183   3HG2  THR  38          3HG2      THR  38  -1.870   1.572   5.961
  184    H    TRP  39           H        TRP  39   2.576   1.783   4.886
  185    HA   TRP  39           HA       TRP  39   2.101   0.326   2.378
  186   1HB   TRP  39          2HB       TRP  39   4.724   0.020   3.699
  187   2HB   TRP  39          1HB       TRP  39   4.356   0.320   2.008
  188    HD1  TRP  39           HD       TRP  39   5.105   2.060   5.282
  189    HE1  TRP  39           1HE      TRP  39   5.841   4.486   4.780
  190    HE3  TRP  39           3HE      TRP  39   4.057   2.186   0.302
  191    HZ2  TRP  39           2HZ      TRP  39   5.958   6.201   2.542
  192    HZ3  TRP  39           3HZ      TRP  39   4.510   4.251  -0.951
  193    HH2  TRP  39           HH       TRP  39   5.440   6.219   0.148
  194    H    GLU  40           H        GLU  40   0.995  -1.508   2.840
  195    HA   GLU  40           HA       GLU  40   2.323  -3.616   4.204
  196   1HB   GLU  40          2HB       GLU  40   1.228  -3.753   6.189
  197   2HB   GLU  40          1HB       GLU  40   1.027  -2.021   5.955
  198   1HG   GLU  40          2HG       GLU  40  -1.190  -2.448   4.962
  199   2HG   GLU  40          1HG       GLU  40  -0.986  -4.164   5.305
  200    H    LYS  41           H        LYS  41   1.282  -5.634   3.848
  201    HA   LYS  41           HA       LYS  41  -0.067  -5.886   1.439
  202   1HB   LYS  41          2HB       LYS  41  -0.647  -8.183   2.801
  203   2HB   LYS  41          1HB       LYS  41   0.809  -7.903   1.873
  204   1HG   LYS  41          2HG       LYS  41   2.051  -7.400   3.803
  205   2HG   LYS  41          1HG       LYS  41   0.595  -7.227   4.784
  206   1HD   LYS  41          2HD       LYS  41   1.503  -9.806   3.509
  207   2HD   LYS  41          1HD       LYS  41   1.847  -9.348   5.178
  208   1HE   LYS  41          2HE       LYS  41  -0.540  -9.261   5.659
  209   2HE   LYS  41          1HE       LYS  41  -0.905  -9.663   3.982
  210   1HZ   LYS  41          1HZ       LYS  41   0.195 -11.792   4.290
  211   2HZ   LYS  41          2HZ       LYS  41  -1.058 -11.602   5.413
  212   3HZ   LYS  41          3HZ       LYS  41   0.550 -11.404   5.898
  213    HA   PRO  42           HA       PRO  42  -4.090  -4.784   3.220
  214   1HB   PRO  42          2HB       PRO  42  -5.028  -4.324   0.533
  215   2HB   PRO  42          1HB       PRO  42  -4.695  -3.141   1.796
  216   1HG   PRO  42          2HG       PRO  42  -3.226  -3.383  -0.505
  217   2HG   PRO  42          1HG       PRO  42  -2.603  -2.703   1.009
  218   1HD   PRO  42          2HD       PRO  42  -2.237  -5.447  -0.134
  219   2HD   PRO  42          1HD       PRO  42  -1.062  -4.407   0.702
  Start of MODEL   10
    1    H    SER  15           H        SER  15  -8.878  -3.226  -2.490
    2    HA   SER  15           HA       SER  15  -9.938  -1.974  -4.836
    3   1HB   SER  15          2HB       SER  15 -11.742  -3.598  -3.045
    4   2HB   SER  15          1HB       SER  15 -12.350  -2.300  -4.071
    5    HG   SER  15           HG       SER  15 -11.296  -3.485  -5.841
    6    H    MET  16           H        MET  16 -10.969  -2.370  -1.446
    7    HA   MET  16           HA       MET  16 -11.636   0.282  -0.968
    8   1HB   MET  16          2HB       MET  16 -10.499  -1.700   1.018
    9   2HB   MET  16          1HB       MET  16 -11.397  -0.245   1.416
   10   1HG   MET  16          2HG       MET  16 -13.402  -1.132   0.512
   11   2HG   MET  16          1HG       MET  16 -12.546  -2.496  -0.205
   12   1HE   MET  16          1HE       MET  16 -12.907  -1.963   4.373
   13   2HE   MET  16          2HE       MET  16 -13.665  -0.838   3.248
   14   3HE   MET  16          3HE       MET  16 -11.909  -0.956   3.325
   15    H    TRP  17           H        TRP  17  -8.553  -1.237  -1.204
   16    HA   TRP  17           HA       TRP  17  -7.211   1.130  -0.101
   17   1HB   TRP  17          2HB       TRP  17  -5.943  -1.523  -0.781
   18   2HB   TRP  17          1HB       TRP  17  -5.253  -0.217   0.174
   19    HD1  TRP  17           HD       TRP  17  -8.335  -2.586   0.433
   20    HE1  TRP  17           1HE      TRP  17  -8.611  -3.203   2.917
   21    HE3  TRP  17           3HE      TRP  17  -4.531   0.197   2.374
   22    HZ2  TRP  17           2HZ      TRP  17  -7.379  -2.573   5.381
   23    HZ3  TRP  17           3HZ      TRP  17  -4.138   0.138   4.795
   24    HH2  TRP  17           HH       TRP  17  -5.530  -1.220   6.275
   25    H    THR  18           H        THR  18  -6.355   2.551  -1.443
   26    HA   THR  18           HA       THR  18  -5.893   1.758  -4.226
   27    HB   THR  18           HB       THR  18  -5.839   4.204  -4.687
   28    HG1  THR  18           1HG      THR  18  -6.791   4.520  -2.028
   29   1HG2  THR  18          1HG2      THR  18  -8.234   4.583  -4.439
   30   2HG2  THR  18          2HG2      THR  18  -8.332   3.276  -3.260
   31   3HG2  THR  18          3HG2      THR  18  -7.922   2.921  -4.939
   32    H    GLU  19           H        GLU  19  -3.837   1.761  -5.046
   33    HA   GLU  19           HA       GLU  19  -1.714   2.514  -3.184
   34   1HB   GLU  19          2HB       GLU  19  -0.317   0.952  -4.271
   35   2HB   GLU  19          1HB       GLU  19  -1.873   0.162  -4.082
   36   1HG   GLU  19          2HG       GLU  19  -2.366   0.898  -6.455
   37   2HG   GLU  19          1HG       GLU  19  -0.655   1.308  -6.564
   38    H    HIS  20           H        HIS  20  -0.340   4.117  -3.577
   39    HA   HIS  20           HA       HIS  20   0.099   5.075  -6.298
   40   1HB   HIS  20          2HB       HIS  20  -0.926   6.910  -4.121
   41   2HB   HIS  20          1HB       HIS  20  -0.391   7.414  -5.720
   42    HD1  HIS  20           1HD      HIS  20  -1.964   6.803  -7.731
   43    HD2  HIS  20           2HD      HIS  20  -3.511   5.940  -3.972
   44    HE1  HIS  20           1HE      HIS  20  -4.421   6.404  -8.090
   45    HE2  HIS  20           2HE      HIS  20  -5.326   5.827  -5.811
   46    H    LYS  21           H        LYS  21   2.113   5.985  -6.593
   47    HA   LYS  21           HA       LYS  21   4.196   5.480  -4.932
   48   1HB   LYS  21          2HB       LYS  21   3.913   7.813  -6.829
   49   2HB   LYS  21          1HB       LYS  21   5.435   7.266  -6.133
   50   1HG   LYS  21          2HG       LYS  21   5.657   5.839  -7.801
   51   2HG   LYS  21          1HG       LYS  21   4.200   5.016  -7.241
   52   1HD   LYS  21          2HD       LYS  21   2.819   6.474  -8.609
   53   2HD   LYS  21          1HD       LYS  21   4.250   7.366  -9.132
   54   1HE   LYS  21          2HE       LYS  21   3.667   4.455  -9.670
   55   2HE   LYS  21          1HE       LYS  21   3.539   5.772 -10.835
   56   1HZ   LYS  21          1HZ       LYS  21   5.926   6.162 -10.569
   57   2HZ   LYS  21          2HZ       LYS  21   5.609   4.595 -11.121
   58   3HZ   LYS  21          3HZ       LYS  21   6.030   4.852  -9.502
   59    H    SER  22           H        SER  22   5.488   6.696  -3.534
   60    HA   SER  22           HA       SER  22   4.735   9.237  -2.514
   61   1HB   SER  22          2HB       SER  22   3.479   6.891  -1.368
   62   2HB   SER  22          1HB       SER  22   4.437   7.746  -0.162
   63    HG   SER  22           HG       SER  22   3.078   9.528  -1.607
   64    HA   PRO  23           HA       PRO  23   8.692   9.678  -0.526
   65   1HB   PRO  23          2HB       PRO  23   7.739   8.659   2.082
   66   2HB   PRO  23          1HB       PRO  23   8.558  10.172   1.697
   67   1HG   PRO  23          2HG       PRO  23   5.794   9.794   2.123
   68   2HG   PRO  23          1HG       PRO  23   6.593  11.260   1.542
   69   1HD   PRO  23          2HD       PRO  23   4.827   9.624   0.099
   70   2HD   PRO  23          1HD       PRO  23   5.844  10.907  -0.566
   71    H    ASP  24           H        ASP  24  10.492   8.437   0.106
   72    HA   ASP  24           HA       ASP  24  11.779   6.580   0.375
   73   1HB   ASP  24          2HB       ASP  24   9.162   5.170   0.959
   74   2HB   ASP  24          1HB       ASP  24  10.755   4.466   1.183
   75    H    GLY  25           H        GLY  25   9.720   7.211  -2.015
   76   1HA   GLY  25          2HA       GLY  25   9.535   6.562  -4.203
   77   2HA   GLY  25          1HA       GLY  25  11.061   5.717  -3.963
   78    H    ARG  26           H        ARG  26   7.738   5.383  -2.809
   79    HA   ARG  26           HA       ARG  26   7.474   2.805  -4.066
   80   1HB   ARG  26          2HB       ARG  26   6.753   1.907  -1.687
   81   2HB   ARG  26          1HB       ARG  26   8.413   1.795  -2.246
   82   1HG   ARG  26          2HG       ARG  26   8.647   4.110  -1.059
   83   2HG   ARG  26          1HG       ARG  26   7.214   3.571  -0.182
   84   1HD   ARG  26          2HD       ARG  26   9.073   2.890   1.104
   85   2HD   ARG  26          1HD       ARG  26   8.459   1.442   0.315
   86    HE   ARG  26           HE       ARG  26  10.396   2.390  -1.370
   87   1HH1  ARG  26          1HH1      ARG  26  10.278   1.426   1.979
   88   2HH1  ARG  26          2HH1      ARG  26  11.926   0.894   2.016
   89   1HH2  ARG  26          1HH2      ARG  26  12.562   1.692  -1.328
   90   2HH2  ARG  26          2HH2      ARG  26  13.224   1.044   0.136
   91    H    THR  27           H        THR  27   5.270   1.851  -3.523
   92    HA   THR  27           HA       THR  27   3.371   4.090  -3.499
   93    HB   THR  27           HB       THR  27   3.269   2.722  -5.517
   94    HG1  THR  27           1HG      THR  27   1.204   3.119  -5.400
   95   1HG2  THR  27          1HG2      THR  27   4.087   0.603  -4.680
   96   2HG2  THR  27          2HG2      THR  27   2.485   0.369  -5.383
   97   3HG2  THR  27          3HG2      THR  27   2.679   0.435  -3.632
   98    H    TYR  28           H        TYR  28   1.857   4.286  -1.964
   99    HA   TYR  28           HA       TYR  28   1.787   2.224   0.121
  100   1HB   TYR  28          2HB       TYR  28   1.005   3.910   1.646
  101   2HB   TYR  28          1HB       TYR  28   2.412   4.546   0.812
  102    HD1  TYR  28           1HD      TYR  28  -1.008   5.093   1.659
  103    HD2  TYR  28           2HD      TYR  28   1.997   6.133  -1.162
  104    HE1  TYR  28           1HE      TYR  28  -2.303   7.083   1.020
  105    HE2  TYR  28           2HE      TYR  28   0.710   8.121  -1.811
  106    HH   TYR  28           HH       TYR  28  -1.543   8.959  -1.746
  107    H    TYR  29           H        TYR  29  -0.237   1.765   1.136
  108    HA   TYR  29           HA       TYR  29  -2.434   1.763  -0.804
  109   1HB   TYR  29          2HB       TYR  29  -1.846  -0.016   1.567
  110   2HB   TYR  29          1HB       TYR  29  -3.306  -0.123   0.598
  111    HD1  TYR  29           1HD      TYR  29   0.280  -0.786   0.726
  112    HD2  TYR  29           2HD      TYR  29  -3.209  -0.989  -1.703
  113    HE1  TYR  29           1HE      TYR  29   1.460  -2.274  -0.835
  114    HE2  TYR  29           2HE      TYR  29  -2.037  -2.479  -3.269
  115    HH   TYR  29           HH       TYR  29   0.283  -3.006  -3.923
  116    H    TYR  30           H        TYR  30  -3.800   3.378  -0.450
  117    HA   TYR  30           HA       TYR  30  -4.373   4.187   2.306
  118   1HB   TYR  30          2HB       TYR  30  -3.673   6.055   1.037
  119   2HB   TYR  30          1HB       TYR  30  -4.662   5.595  -0.341
  120    HD1  TYR  30           1HD      TYR  30  -6.361   7.099  -0.725
  121    HD2  TYR  30           2HD      TYR  30  -5.323   6.197   3.301
  122    HE1  TYR  30           1HE      TYR  30  -8.144   8.596   0.065
  123    HE2  TYR  30           2HE      TYR  30  -7.103   7.691   4.102
  124    HH   TYR  30           HH       TYR  30  -9.529   8.916   2.072
  125    H    ASN  31           H        ASN  31  -5.983   3.032   3.083
  126    HA   ASN  31           HA       ASN  31  -8.095   1.944   1.531
  127   1HB   ASN  31          2HB       ASN  31  -7.152   1.175   3.838
  128   2HB   ASN  31          1HB       ASN  31  -8.223   2.402   4.505
  129   1HD2  ASN  31          1HD2      ASN  31 -10.102   1.826   2.200
  130   2HD2  ASN  31          2HD2      ASN  31 -10.944   0.407   2.697
  131    H    THR  32           H        THR  32  -9.334   3.420   0.483
  132    HA   THR  32           HA       THR  32  -9.998   5.967   1.552
  133    HB   THR  32           HB       THR  32 -11.643   6.056  -0.350
  134    HG1  THR  32           1HG      THR  32 -11.310   4.283  -1.906
  135   1HG2  THR  32          1HG2      THR  32  -8.785   5.302  -0.965
  136   2HG2  THR  32          2HG2      THR  32  -9.406   6.921  -0.647
  137   3HG2  THR  32          3HG2      THR  32  -9.889   6.063  -2.111
  138    H    GLU  33           H        GLU  33 -11.282   2.869   2.090
  139    HA   GLU  33           HA       GLU  33 -13.962   3.745   2.675
  140   1HB   GLU  33          2HB       GLU  33 -12.513   1.134   2.906
  141   2HB   GLU  33          1HB       GLU  33 -14.143   1.341   3.539
  142   1HG   GLU  33          2HG       GLU  33 -13.305   1.749   0.676
  143   2HG   GLU  33          1HG       GLU  33 -14.129   0.329   1.316
  144    H    THR  34           H        THR  34 -11.201   2.559   4.539
  145    HA   THR  34           HA       THR  34 -12.576   3.373   6.991
  146    HB   THR  34           HB       THR  34 -11.585   1.055   6.836
  147    HG1  THR  34           1HG      THR  34 -10.575   2.737   8.908
  148   1HG2  THR  34          1HG2      THR  34  -9.233   0.750   7.070
  149   2HG2  THR  34          2HG2      THR  34  -8.964   2.483   7.258
  150   3HG2  THR  34          3HG2      THR  34  -9.478   1.835   5.704
  151    H    LYS  35           H        LYS  35  -9.786   4.048   5.026
  152    HA   LYS  35           HA       LYS  35  -8.664   6.042   4.818
  153   1HB   LYS  35          2HB       LYS  35  -9.588   6.705   7.628
  154   2HB   LYS  35          1HB       LYS  35  -8.673   7.764   6.566
  155   1HG   LYS  35          2HG       LYS  35 -10.519   7.903   5.029
  156   2HG   LYS  35          1HG       LYS  35 -11.435   6.725   5.974
  157   1HD   LYS  35          2HD       LYS  35 -11.414   8.281   7.885
  158   2HD   LYS  35          1HD       LYS  35 -10.560   9.465   6.892
  159   1HE   LYS  35          2HE       LYS  35 -12.446   9.524   5.336
  160   2HE   LYS  35          1HE       LYS  35 -13.297   8.331   6.316
  161   1HZ   LYS  35          1HZ       LYS  35 -13.311   9.909   8.150
  162   2HZ   LYS  35          2HZ       LYS  35 -14.071  10.563   6.788
  163   3HZ   LYS  35          3HZ       LYS  35 -12.505  11.055   7.201
  164    H    GLN  36           H        GLN  36  -7.503   3.828   5.071
  165    HA   GLN  36           HA       GLN  36  -5.426   4.264   7.133
  166   1HB   GLN  36          2HB       GLN  36  -6.755   2.222   7.547
  167   2HB   GLN  36          1HB       GLN  36  -6.291   1.624   5.962
  168   1HG   GLN  36          2HG       GLN  36  -4.979   0.631   7.789
  169   2HG   GLN  36          1HG       GLN  36  -3.987   1.496   6.616
  170   1HE2  GLN  36          1HE2      GLN  36  -2.979   3.404   7.215
  171   2HE2  GLN  36          2HE2      GLN  36  -2.819   3.889   8.865
  172    H    SER  37           H        SER  37  -3.899   5.282   6.049
  173    HA   SER  37           HA       SER  37  -2.991   4.211   3.473
  174   1HB   SER  37          2HB       SER  37  -1.768   6.380   3.258
  175   2HB   SER  37          1HB       SER  37  -3.514   6.573   3.405
  176    HG   SER  37           HG       SER  37  -3.250   7.176   5.534
  177    H    THR  38           H        THR  38  -1.398   2.728   3.681
  178    HA   THR  38           HA       THR  38   1.071   3.435   4.955
  179    HB   THR  38           HB       THR  38  -0.142   2.757   6.964
  180    HG1  THR  38           1HG      THR  38   1.286   0.771   7.366
  181   1HG2  THR  38          1HG2      THR  38  -0.936   0.447   7.231
  182   2HG2  THR  38          2HG2      THR  38  -0.547   0.125   5.542
  183   3HG2  THR  38          3HG2      THR  38  -1.806   1.292   5.950
  184    H    TRP  39           H        TRP  39   2.677   1.549   4.838
  185    HA   TRP  39           HA       TRP  39   2.150   0.085   2.340
  186   1HB   TRP  39          2HB       TRP  39   4.824  -0.153   3.564
  187   2HB   TRP  39          1HB       TRP  39   4.388   0.159   1.889
  188    HD1  TRP  39           HD       TRP  39   5.093   1.899   5.186
  189    HE1  TRP  39           1HE      TRP  39   5.771   4.347   4.692
  190    HE3  TRP  39           3HE      TRP  39   4.121   1.995   0.191
  191    HZ2  TRP  39           2HZ      TRP  39   5.866   6.062   2.463
  192    HZ3  TRP  39           3HZ      TRP  39   4.538   4.072  -1.058
  193    HH2  TRP  39           HH       TRP  39   5.392   6.066   0.056
  194    H    GLU  40           H        GLU  40   1.082  -1.767   2.906
  195    HA   GLU  40           HA       GLU  40   2.530  -3.830   4.210
  196   1HB   GLU  40          2HB       GLU  40   1.702  -3.839   6.304
  197   2HB   GLU  40          1HB       GLU  40   1.259  -2.169   5.985
  198   1HG   GLU  40          2HG       GLU  40  -0.969  -2.964   5.230
  199   2HG   GLU  40          1HG       GLU  40  -0.507  -4.590   5.728
  200    H    LYS  41           H        LYS  41   1.180  -5.852   4.371
  201    HA   LYS  41           HA       LYS  41  -0.212  -6.291   1.970
  202   1HB   LYS  41          2HB       LYS  41  -0.844  -8.428   3.367
  203   2HB   LYS  41          1HB       LYS  41   0.778  -8.217   2.751
  204   1HG   LYS  41          2HG       LYS  41   0.183  -7.147   5.429
  205   2HG   LYS  41          1HG       LYS  41   0.215  -8.897   5.266
  206   1HD   LYS  41          2HD       LYS  41   2.437  -7.079   4.343
  207   2HD   LYS  41          1HD       LYS  41   2.403  -7.870   5.922
  208   1HE   LYS  41          2HE       LYS  41   2.358  -9.265   3.248
  209   2HE   LYS  41          1HE       LYS  41   3.761  -9.118   4.306
  210   1HZ   LYS  41          1HZ       LYS  41   1.227 -10.518   4.979
  211   2HZ   LYS  41          2HZ       LYS  41   2.577 -10.385   5.989
  212   3HZ   LYS  41          3HZ       LYS  41   2.684 -11.267   4.550
  213    HA   PRO  42           HA       PRO  42  -4.076  -4.804   3.817
  214   1HB   PRO  42          2HB       PRO  42  -5.189  -4.378   1.241
  215   2HB   PRO  42          1HB       PRO  42  -4.495  -3.171   2.322
  216   1HG   PRO  42          2HG       PRO  42  -3.443  -3.966  -0.134
  217   2HG   PRO  42          1HG       PRO  42  -2.583  -3.060   1.120
  218   1HD   PRO  42          2HD       PRO  42  -2.470  -5.965   0.464
  219   2HD   PRO  42          1HD       PRO  42  -1.194  -4.892   1.075
  Start of MODEL   11
    1    H    SER  15           H        SER  15  -8.702  -3.268  -2.457
    2    HA   SER  15           HA       SER  15 -10.158  -2.454  -4.787
    3   1HB   SER  15          2HB       SER  15 -11.379  -4.505  -4.289
    4   2HB   SER  15          1HB       SER  15 -11.580  -4.001  -2.612
    5    HG   SER  15           HG       SER  15 -13.156  -2.709  -3.186
    6    H    MET  16           H        MET  16 -10.821  -2.630  -1.292
    7    HA   MET  16           HA       MET  16 -11.674   0.072  -1.121
    8   1HB   MET  16          2HB       MET  16 -10.761  -1.794   1.081
    9   2HB   MET  16          1HB       MET  16 -11.653  -0.296   1.306
   10   1HG   MET  16          2HG       MET  16 -13.574  -1.203   0.198
   11   2HG   MET  16          1HG       MET  16 -12.686  -2.663  -0.232
   12   1HE   MET  16          1HE       MET  16 -12.463  -0.852   3.353
   13   2HE   MET  16          2HE       MET  16 -13.936  -1.516   4.060
   14   3HE   MET  16          3HE       MET  16 -14.031  -0.465   2.647
   15    H    TRP  17           H        TRP  17  -8.619  -1.322  -1.363
   16    HA   TRP  17           HA       TRP  17  -7.325   0.996  -0.095
   17   1HB   TRP  17          2HB       TRP  17  -6.080  -1.656  -0.845
   18   2HB   TRP  17          1HB       TRP  17  -5.292  -0.338   0.011
   19    HD1  TRP  17           HD       TRP  17  -8.370  -2.657   0.589
   20    HE1  TRP  17           1HE      TRP  17  -8.446  -3.196   3.105
   21    HE3  TRP  17           3HE      TRP  17  -4.408   0.154   2.128
   22    HZ2  TRP  17           2HZ      TRP  17  -7.012  -2.509   5.443
   23    HZ3  TRP  17           3HZ      TRP  17  -3.817   0.162   4.510
   24    HH2  TRP  17           HH       TRP  17  -5.090  -1.142   6.140
   25    H    THR  18           H        THR  18  -6.514   2.500  -1.382
   26    HA   THR  18           HA       THR  18  -5.978   1.825  -4.184
   27    HB   THR  18           HB       THR  18  -5.944   4.339  -4.490
   28    HG1  THR  18           1HG      THR  18  -7.078   4.281  -1.877
   29   1HG2  THR  18          1HG2      THR  18  -8.395   4.561  -4.440
   30   2HG2  THR  18          2HG2      THR  18  -8.496   3.087  -3.476
   31   3HG2  THR  18          3HG2      THR  18  -7.887   3.019  -5.130
   32    H    GLU  19           H        GLU  19  -3.879   1.434  -4.625
   33    HA   GLU  19           HA       GLU  19  -1.866   2.665  -2.919
   34   1HB   GLU  19          2HB       GLU  19  -0.367   0.950  -3.574
   35   2HB   GLU  19          1HB       GLU  19  -1.914   0.176  -3.265
   36   1HG   GLU  19          2HG       GLU  19  -2.332   0.280  -5.746
   37   2HG   GLU  19          1HG       GLU  19  -0.646   0.771  -5.920
   38    H    HIS  20           H        HIS  20  -0.438   4.097  -3.557
   39    HA   HIS  20           HA       HIS  20   0.187   4.540  -6.352
   40   1HB   HIS  20          2HB       HIS  20  -0.879   6.831  -4.685
   41   2HB   HIS  20          1HB       HIS  20  -0.422   6.874  -6.383
   42    HD1  HIS  20           1HD      HIS  20  -2.107   5.877  -8.088
   43    HD2  HIS  20           2HD      HIS  20  -3.434   5.843  -4.147
   44    HE1  HIS  20           1HE      HIS  20  -4.570   5.382  -8.212
   45    HE2  HIS  20           2HE      HIS  20  -5.359   5.400  -5.819
   46    H    LYS  21           H        LYS  21   2.006   6.113  -6.571
   47    HA   LYS  21           HA       LYS  21   4.142   5.569  -4.977
   48   1HB   LYS  21          2HB       LYS  21   3.643   8.174  -6.418
   49   2HB   LYS  21          1HB       LYS  21   5.212   7.561  -5.903
   50   1HG   LYS  21          2HG       LYS  21   5.381   6.594  -7.887
   51   2HG   LYS  21          1HG       LYS  21   4.101   5.494  -7.356
   52   1HD   LYS  21          2HD       LYS  21   2.417   7.034  -8.255
   53   2HD   LYS  21          1HD       LYS  21   3.702   8.113  -8.804
   54   1HE   LYS  21          2HE       LYS  21   3.252   5.273  -9.717
   55   2HE   LYS  21          1HE       LYS  21   2.870   6.729 -10.634
   56   1HZ   LYS  21          1HZ       LYS  21   4.965   5.773 -11.344
   57   2HZ   LYS  21          2HZ       LYS  21   5.585   5.886  -9.775
   58   3HZ   LYS  21          3HZ       LYS  21   5.224   7.291 -10.644
   59    H    SER  22           H        SER  22   5.340   6.760  -3.440
   60    HA   SER  22           HA       SER  22   4.292   8.965  -2.006
   61   1HB   SER  22          2HB       SER  22   3.620   6.219  -1.088
   62   2HB   SER  22          1HB       SER  22   4.125   7.363   0.153
   63    HG   SER  22           HG       SER  22   2.497   8.803  -0.842
   64    HA   PRO  23           HA       PRO  23   8.251   9.652  -0.107
   65   1HB   PRO  23          2HB       PRO  23   7.312   8.175   2.328
   66   2HB   PRO  23          1HB       PRO  23   8.259   9.664   2.218
   67   1HG   PRO  23          2HG       PRO  23   5.615   9.704   2.686
   68   2HG   PRO  23          1HG       PRO  23   6.421  10.962   1.731
   69   1HD   PRO  23          2HD       PRO  23   4.560   8.869   0.863
   70   2HD   PRO  23          1HD       PRO  23   5.048  10.350   0.024
   71    H    ASP  24           H        ASP  24  10.222   8.652   0.188
   72    HA   ASP  24           HA       ASP  24  11.810   7.033   0.143
   73   1HB   ASP  24          2HB       ASP  24  10.353   6.006   1.976
   74   2HB   ASP  24          1HB       ASP  24   9.689   4.969   0.717
   75    H    GLY  25           H        GLY  25   9.549   7.517  -2.028
   76   1HA   GLY  25          2HA       GLY  25   9.295   6.961  -4.235
   77   2HA   GLY  25          1HA       GLY  25  10.883   6.218  -4.120
   78    H    ARG  26           H        ARG  26   7.784   5.471  -2.583
   79    HA   ARG  26           HA       ARG  26   7.620   2.982  -4.076
   80   1HB   ARG  26          2HB       ARG  26   7.018   1.841  -1.798
   81   2HB   ARG  26          1HB       ARG  26   8.693   1.994  -2.293
   82   1HG   ARG  26          2HG       ARG  26   8.700   4.139  -0.910
   83   2HG   ARG  26          1HG       ARG  26   7.221   3.508  -0.189
   84   1HD   ARG  26          2HD       ARG  26   9.906   2.151  -0.246
   85   2HD   ARG  26          1HD       ARG  26   9.124   2.881   1.153
   86    HE   ARG  26           HE       ARG  26   7.309   1.067   0.402
   87   1HH1  ARG  26          1HH1      ARG  26  10.753   0.829   0.867
   88   2HH1  ARG  26          2HH1      ARG  26  10.703  -0.835   1.346
   89   1HH2  ARG  26          1HH2      ARG  26   7.232  -1.123   1.031
   90   2HH2  ARG  26          2HH2      ARG  26   8.702  -1.945   1.439
   91    H    THR  27           H        THR  27   5.464   1.867  -3.559
   92    HA   THR  27           HA       THR  27   3.468   4.016  -3.456
   93    HB   THR  27           HB       THR  27   3.378   2.803  -5.525
   94    HG1  THR  27           1HG      THR  27   1.343   2.974  -3.840
   95   1HG2  THR  27          1HG2      THR  27   4.439   0.732  -4.960
   96   2HG2  THR  27          2HG2      THR  27   2.810   0.359  -5.528
   97   3HG2  THR  27          3HG2      THR  27   3.170   0.334  -3.801
   98    H    TYR  28           H        TYR  28   2.081   4.175  -1.857
   99    HA   TYR  28           HA       TYR  28   1.874   1.957   0.052
  100   1HB   TYR  28          2HB       TYR  28   1.154   3.539   1.709
  101   2HB   TYR  28          1HB       TYR  28   2.596   4.172   0.957
  102    HD1  TYR  28           1HD      TYR  28   1.108   5.938   2.567
  103    HD2  TYR  28           2HD      TYR  28   0.386   4.951  -1.509
  104    HE1  TYR  28           1HE      TYR  28  -0.037   8.086   2.250
  105    HE2  TYR  28           2HE      TYR  28  -0.757   7.096  -1.832
  106    HH   TYR  28           HH       TYR  28  -1.913   8.787  -0.491
  107    H    TYR  29           H        TYR  29  -0.218   1.462   0.974
  108    HA   TYR  29           HA       TYR  29  -2.343   1.845  -1.012
  109   1HB   TYR  29          2HB       TYR  29  -2.603  -0.134   1.204
  110   2HB   TYR  29          1HB       TYR  29  -3.246  -0.200  -0.423
  111    HD1  TYR  29           1HD      TYR  29  -2.098  -1.345  -2.135
  112    HD2  TYR  29           2HD      TYR  29  -0.136  -0.586   1.562
  113    HE1  TYR  29           1HE      TYR  29  -0.266  -2.841  -2.805
  114    HE2  TYR  29           2HE      TYR  29   1.702  -2.075   0.901
  115    HH   TYR  29           HH       TYR  29   2.071  -3.974  -0.637
  116    H    TYR  30           H        TYR  30  -3.707   3.383  -0.548
  117    HA   TYR  30           HA       TYR  30  -4.205   4.087   2.249
  118   1HB   TYR  30          2HB       TYR  30  -3.506   6.022   1.141
  119   2HB   TYR  30          1HB       TYR  30  -4.366   5.606  -0.337
  120    HD1  TYR  30           1HD      TYR  30  -6.191   6.910  -0.833
  121    HD2  TYR  30           2HD      TYR  30  -5.202   6.285   3.258
  122    HE1  TYR  30           1HE      TYR  30  -8.057   8.365  -0.165
  123    HE2  TYR  30           2HE      TYR  30  -7.066   7.739   3.936
  124    HH   TYR  30           HH       TYR  30  -9.488   8.757   1.764
  125    H    ASN  31           H        ASN  31  -5.894   3.045   3.044
  126    HA   ASN  31           HA       ASN  31  -8.026   2.034   1.464
  127   1HB   ASN  31          2HB       ASN  31  -7.214   1.174   3.747
  128   2HB   ASN  31          1HB       ASN  31  -8.113   2.518   4.445
  129   1HD2  ASN  31          1HD2      ASN  31 -10.249   2.388   2.481
  130   2HD2  ASN  31          2HD2      ASN  31 -11.183   0.998   2.885
  131    H    THR  32           H        THR  32  -9.506   3.276   0.540
  132    HA   THR  32           HA       THR  32  -9.926   5.991   1.243
  133    HB   THR  32           HB       THR  32 -11.846   5.853  -0.375
  134    HG1  THR  32           1HG      THR  32 -11.693   3.300   0.112
  135   1HG2  THR  32          1HG2      THR  32  -9.206   4.752  -1.347
  136   2HG2  THR  32          2HG2      THR  32  -9.573   6.458  -1.089
  137   3HG2  THR  32          3HG2      THR  32 -10.426   5.552  -2.338
  138    H    GLU  33           H        GLU  33 -11.864   3.055   1.753
  139    HA   GLU  33           HA       GLU  33 -14.043   4.397   2.968
  140   1HB   GLU  33          2HB       GLU  33 -14.473   2.282   2.007
  141   2HB   GLU  33          1HB       GLU  33 -13.147   1.533   2.881
  142   1HG   GLU  33          2HG       GLU  33 -15.220   0.820   3.842
  143   2HG   GLU  33          1HG       GLU  33 -14.398   1.876   4.987
  144    H    THR  34           H        THR  34 -11.323   2.580   4.274
  145    HA   THR  34           HA       THR  34 -12.082   3.127   7.000
  146    HB   THR  34           HB       THR  34  -9.603   1.817   5.875
  147    HG1  THR  34           1HG      THR  34 -12.084   0.862   6.844
  148   1HG2  THR  34          1HG2      THR  34 -10.563   2.135   8.715
  149   2HG2  THR  34          2HG2      THR  34  -9.033   2.681   8.024
  150   3HG2  THR  34          3HG2      THR  34  -9.346   0.957   8.222
  151    H    LYS  35           H        LYS  35  -9.633   4.249   4.729
  152    HA   LYS  35           HA       LYS  35  -8.506   6.227   4.616
  153   1HB   LYS  35          2HB       LYS  35  -9.628   6.842   7.368
  154   2HB   LYS  35          1HB       LYS  35  -8.715   7.951   6.359
  155   1HG   LYS  35          2HG       LYS  35 -10.482   7.949   4.704
  156   2HG   LYS  35          1HG       LYS  35 -11.391   6.768   5.653
  157   1HD   LYS  35          2HD       LYS  35 -11.509   8.383   7.505
  158   2HD   LYS  35          1HD       LYS  35 -10.654   9.565   6.513
  159   1HE   LYS  35          2HE       LYS  35 -12.474   9.485   4.869
  160   2HE   LYS  35          1HE       LYS  35 -13.330   8.324   5.882
  161   1HZ   LYS  35          1HZ       LYS  35 -14.168  10.564   6.203
  162   2HZ   LYS  35          2HZ       LYS  35 -12.632  11.106   6.653
  163   3HZ   LYS  35          3HZ       LYS  35 -13.454   9.993   7.626
  164    H    GLN  36           H        GLN  36  -7.376   4.000   5.022
  165    HA   GLN  36           HA       GLN  36  -5.345   4.550   7.099
  166   1HB   GLN  36          2HB       GLN  36  -6.994   2.547   7.428
  167   2HB   GLN  36          1HB       GLN  36  -5.991   1.753   6.226
  168   1HG   GLN  36          2HG       GLN  36  -4.903   2.953   8.756
  169   2HG   GLN  36          1HG       GLN  36  -5.416   1.273   8.613
  170   1HE2  GLN  36          1HE2      GLN  36  -3.050   3.639   7.709
  171   2HE2  GLN  36          2HE2      GLN  36  -1.887   2.532   7.073
  172    H    SER  37           H        SER  37  -3.762   5.382   5.911
  173    HA   SER  37           HA       SER  37  -2.924   4.006   3.458
  174   1HB   SER  37          2HB       SER  37  -1.654   6.079   2.971
  175   2HB   SER  37          1HB       SER  37  -3.375   6.384   3.189
  176    HG   SER  37           HG       SER  37  -2.765   6.881   5.446
  177    H    THR  38           H        THR  38  -1.317   2.595   3.665
  178    HA   THR  38           HA       THR  38   1.156   3.289   4.925
  179    HB   THR  38           HB       THR  38  -0.219   2.588   6.907
  180    HG1  THR  38           1HG      THR  38   1.454   1.329   7.734
  181   1HG2  THR  38          1HG2      THR  38  -0.746   0.226   7.195
  182   2HG2  THR  38          2HG2      THR  38  -0.126  -0.126   5.581
  183   3HG2  THR  38          3HG2      THR  38  -1.570   0.868   5.773
  184    H    TRP  39           H        TRP  39   2.698   1.316   4.840
  185    HA   TRP  39           HA       TRP  39   2.158  -0.067   2.303
  186   1HB   TRP  39          2HB       TRP  39   4.782  -0.438   3.631
  187   2HB   TRP  39          1HB       TRP  39   4.425  -0.132   1.935
  188    HD1  TRP  39           HD       TRP  39   5.103   1.610   5.222
  189    HE1  TRP  39           1HE      TRP  39   5.811   4.047   4.753
  190    HE3  TRP  39           3HE      TRP  39   4.211   1.724   0.217
  191    HZ2  TRP  39           2HZ      TRP  39   5.979   5.760   2.527
  192    HZ3  TRP  39           3HZ      TRP  39   4.676   3.799  -1.016
  193    HH2  TRP  39           HH       TRP  39   5.543   5.776   0.118
  194    H    GLU  40           H        GLU  40   0.972  -1.857   2.759
  195    HA   GLU  40           HA       GLU  40   2.212  -4.013   4.156
  196   1HB   GLU  40          2HB       GLU  40   0.823  -4.199   6.036
  197   2HB   GLU  40          1HB       GLU  40   1.174  -2.475   5.955
  198   1HG   GLU  40          2HG       GLU  40  -1.014  -2.180   6.146
  199   2HG   GLU  40          1HG       GLU  40  -1.105  -2.682   4.459
  200    H    LYS  41           H        LYS  41   1.246  -5.979   3.642
  201    HA   LYS  41           HA       LYS  41  -0.190  -6.170   1.285
  202   1HB   LYS  41          2HB       LYS  41  -0.710  -8.518   2.570
  203   2HB   LYS  41          1HB       LYS  41   0.734  -8.190   1.637
  204   1HG   LYS  41          2HG       LYS  41   1.998  -7.770   3.563
  205   2HG   LYS  41          1HG       LYS  41   0.556  -7.595   4.567
  206   1HD   LYS  41          2HD       LYS  41   1.540  -9.714   5.069
  207   2HD   LYS  41          1HD       LYS  41   0.071 -10.014   4.137
  208   1HE   LYS  41          2HE       LYS  41   1.383 -10.342   2.124
  209   2HE   LYS  41          1HE       LYS  41   2.863  -9.949   2.997
  210   1HZ   LYS  41          1HZ       LYS  41   2.500 -11.896   4.395
  211   2HZ   LYS  41          2HZ       LYS  41   2.606 -12.329   2.763
  212   3HZ   LYS  41          3HZ       LYS  41   1.098 -12.278   3.528
  213    HA   PRO  42           HA       PRO  42  -4.139  -5.120   3.250
  214   1HB   PRO  42          2HB       PRO  42  -5.193  -4.581   0.625
  215   2HB   PRO  42          1HB       PRO  42  -4.795  -3.435   1.906
  216   1HG   PRO  42          2HG       PRO  42  -3.434  -3.626  -0.470
  217   2HG   PRO  42          1HG       PRO  42  -2.757  -2.967   1.028
  218   1HD   PRO  42          2HD       PRO  42  -2.397  -5.677  -0.188
  219   2HD   PRO  42          1HD       PRO  42  -1.212  -4.649   0.647
  Start of MODEL   12
    1    H    SER  15           H        SER  15  -8.579  -3.130  -2.765
    2    HA   SER  15           HA       SER  15 -10.089  -2.318  -5.043
    3   1HB   SER  15          2HB       SER  15 -11.305  -4.364  -4.637
    4   2HB   SER  15          1HB       SER  15 -11.440  -3.991  -2.920
    5    HG   SER  15           HG       SER  15 -13.124  -3.347  -4.830
    6    H    MET  16           H        MET  16 -10.800  -2.594  -1.569
    7    HA   MET  16           HA       MET  16 -11.720   0.065  -1.325
    8   1HB   MET  16          2HB       MET  16 -10.762  -1.869   0.792
    9   2HB   MET  16          1HB       MET  16 -11.612  -0.366   1.117
   10   1HG   MET  16          2HG       MET  16 -13.593  -1.166   0.077
   11   2HG   MET  16          1HG       MET  16 -12.758  -2.587  -0.550
   12   1HE   MET  16          1HE       MET  16 -13.434  -1.927   3.970
   13   2HE   MET  16          2HE       MET  16 -13.878  -0.732   2.751
   14   3HE   MET  16          3HE       MET  16 -12.180  -1.112   3.037
   15    H    TRP  17           H        TRP  17  -8.592  -1.204  -1.551
   16    HA   TRP  17           HA       TRP  17  -7.440   1.160  -0.232
   17   1HB   TRP  17          2HB       TRP  17  -6.027  -1.411  -0.954
   18   2HB   TRP  17          1HB       TRP  17  -5.369  -0.073  -0.020
   19    HD1  TRP  17           HD       TRP  17  -8.366  -2.538   0.307
   20    HE1  TRP  17           1HE      TRP  17  -8.583  -3.144   2.798
   21    HE3  TRP  17           3HE      TRP  17  -4.616   0.372   2.165
   22    HZ2  TRP  17           2HZ      TRP  17  -7.329  -2.462   5.237
   23    HZ3  TRP  17           3HZ      TRP  17  -4.181   0.340   4.579
   24    HH2  TRP  17           HH       TRP  17  -5.507  -1.050   6.090
   25    H    THR  18           H        THR  18  -6.372   2.626  -1.381
   26    HA   THR  18           HA       THR  18  -5.972   2.104  -4.232
   27    HB   THR  18           HB       THR  18  -5.749   4.603  -4.402
   28    HG1  THR  18           1HG      THR  18  -6.843   4.639  -1.782
   29   1HG2  THR  18          1HG2      THR  18  -8.331   3.545  -3.252
   30   2HG2  THR  18          2HG2      THR  18  -7.856   3.514  -4.951
   31   3HG2  THR  18          3HG2      THR  18  -8.156   5.054  -4.147
   32    H    GLU  19           H        GLU  19  -3.912   1.932  -5.009
   33    HA   GLU  19           HA       GLU  19  -1.755   2.548  -3.142
   34   1HB   GLU  19          2HB       GLU  19  -0.462   0.906  -4.162
   35   2HB   GLU  19          1HB       GLU  19  -2.075   0.222  -4.155
   36   1HG   GLU  19          2HG       GLU  19  -0.651   1.476  -6.485
   37   2HG   GLU  19          1HG       GLU  19  -1.002  -0.234  -6.252
   38    H    HIS  20           H        HIS  20  -0.317   4.084  -3.484
   39    HA   HIS  20           HA       HIS  20   0.228   5.105  -6.153
   40   1HB   HIS  20          2HB       HIS  20  -0.814   6.919  -3.964
   41   2HB   HIS  20          1HB       HIS  20  -0.212   7.442  -5.532
   42    HD1  HIS  20           1HD      HIS  20  -1.715   6.761  -7.627
   43    HD2  HIS  20           2HD      HIS  20  -3.459   6.204  -3.895
   44    HE1  HIS  20           1HE      HIS  20  -4.176   6.493  -8.069
   45    HE2  HIS  20           2HE      HIS  20  -5.222   6.268  -5.787
   46    H    LYS  21           H        LYS  21   2.317   5.841  -6.326
   47    HA   LYS  21           HA       LYS  21   4.207   5.231  -4.445
   48   1HB   LYS  21          2HB       LYS  21   4.377   7.408  -6.523
   49   2HB   LYS  21          1HB       LYS  21   5.747   6.742  -5.644
   50   1HG   LYS  21          2HG       LYS  21   3.964   5.318  -7.571
   51   2HG   LYS  21          1HG       LYS  21   5.658   5.732  -7.806
   52   1HD   LYS  21          2HD       LYS  21   6.178   4.252  -5.854
   53   2HD   LYS  21          1HD       LYS  21   4.481   3.761  -5.862
   54   1HE   LYS  21          2HE       LYS  21   6.458   3.405  -8.111
   55   2HE   LYS  21          1HE       LYS  21   5.845   2.135  -7.051
   56   1HZ   LYS  21          1HZ       LYS  21   3.630   2.519  -7.922
   57   2HZ   LYS  21          2HZ       LYS  21   4.699   2.162  -9.183
   58   3HZ   LYS  21          3HZ       LYS  21   4.202   3.758  -8.922
   59    H    SER  22           H        SER  22   5.637   6.552  -3.237
   60    HA   SER  22           HA       SER  22   4.969   9.188  -2.422
   61   1HB   SER  22          2HB       SER  22   3.807   6.921  -0.974
   62   2HB   SER  22          1HB       SER  22   4.717   8.013   0.067
   63    HG   SER  22           HG       SER  22   2.725   8.885  -0.012
   64    HA   PRO  23           HA       PRO  23   8.987   9.804  -0.603
   65   1HB   PRO  23          2HB       PRO  23   8.251   8.763   2.053
   66   2HB   PRO  23          1HB       PRO  23   8.901  10.339   1.602
   67   1HG   PRO  23          2HG       PRO  23   6.157   9.599   2.080
   68   2HG   PRO  23          1HG       PRO  23   6.820  11.203   1.728
   69   1HD   PRO  23          2HD       PRO  23   5.171   9.823   0.033
   70   2HD   PRO  23          1HD       PRO  23   6.342  11.032  -0.512
   71    H    ASP  24           H        ASP  24  10.826   8.653  -0.387
   72    HA   ASP  24           HA       ASP  24  12.254   6.899  -0.176
   73   1HB   ASP  24          2HB       ASP  24  10.811   6.174   1.761
   74   2HB   ASP  24          1HB       ASP  24   9.907   5.170   0.634
   75    H    GLY  25           H        GLY  25   9.564   7.060  -2.160
   76   1HA   GLY  25          2HA       GLY  25   9.334   6.482  -4.377
   77   2HA   GLY  25          1HA       GLY  25  10.907   5.701  -4.276
   78    H    ARG  26           H        ARG  26   7.706   5.264  -2.837
   79    HA   ARG  26           HA       ARG  26   7.455   2.655  -4.048
   80   1HB   ARG  26          2HB       ARG  26   7.006   1.558  -1.838
   81   2HB   ARG  26          1HB       ARG  26   8.683   1.996  -2.103
   82   1HG   ARG  26          2HG       ARG  26   7.605   4.199  -0.840
   83   2HG   ARG  26          1HG       ARG  26   6.843   2.824  -0.042
   84   1HD   ARG  26          2HD       ARG  26   9.755   3.477  -0.280
   85   2HD   ARG  26          1HD       ARG  26   8.794   3.217   1.171
   86    HE   ARG  26           HE       ARG  26   8.923   0.895  -0.491
   87   1HH1  ARG  26          1HH1      ARG  26  10.589   2.719   1.968
   88   2HH1  ARG  26          2HH1      ARG  26  11.514   1.366   2.526
   89   1HH2  ARG  26          1HH2      ARG  26  10.144  -0.889   0.235
   90   2HH2  ARG  26          2HH2      ARG  26  11.259  -0.684   1.545
   91    H    THR  27           H        THR  27   5.231   1.722  -3.464
   92    HA   THR  27           HA       THR  27   3.396   4.010  -3.423
   93    HB   THR  27           HB       THR  27   3.193   2.652  -5.415
   94    HG1  THR  27           1HG      THR  27   1.131   3.040  -5.235
   95   1HG2  THR  27          1HG2      THR  27   2.715   0.364  -3.508
   96   2HG2  THR  27          2HG2      THR  27   4.031   0.530  -4.671
   97   3HG2  THR  27          3HG2      THR  27   2.375   0.296  -5.238
   98    H    TYR  28           H        TYR  28   1.833   4.246  -1.969
   99    HA   TYR  28           HA       TYR  28   1.760   2.319   0.248
  100   1HB   TYR  28          2HB       TYR  28   0.886   4.103   1.625
  101   2HB   TYR  28          1HB       TYR  28   2.328   4.681   0.803
  102    HD1  TYR  28           1HD      TYR  28  -1.354   4.893   0.912
  103    HD2  TYR  28           2HD      TYR  28   2.210   6.498  -0.763
  104    HE1  TYR  28           1HE      TYR  28  -2.624   6.815   0.055
  105    HE2  TYR  28           2HE      TYR  28   0.947   8.420  -1.624
  106    HH   TYR  28           HH       TYR  28  -2.190   9.156  -0.624
  107    H    TYR  29           H        TYR  29  -0.251   1.803   1.217
  108    HA   TYR  29           HA       TYR  29  -2.445   1.740  -0.728
  109   1HB   TYR  29          2HB       TYR  29  -1.871  -0.007   1.667
  110   2HB   TYR  29          1HB       TYR  29  -3.288  -0.150   0.641
  111    HD1  TYR  29           1HD      TYR  29  -0.107  -1.419   1.246
  112    HD2  TYR  29           2HD      TYR  29  -2.681  -0.356  -1.970
  113    HE1  TYR  29           1HE      TYR  29   1.155  -2.909  -0.247
  114    HE2  TYR  29           2HE      TYR  29  -1.426  -1.846  -3.473
  115    HH   TYR  29           HH       TYR  29   0.793  -4.143  -2.350
  116    H    TYR  30           H        TYR  30  -3.842   3.340  -0.381
  117    HA   TYR  30           HA       TYR  30  -4.478   4.090   2.381
  118   1HB   TYR  30          2HB       TYR  30  -3.786   6.005   1.180
  119   2HB   TYR  30          1HB       TYR  30  -4.732   5.560  -0.236
  120    HD1  TYR  30           1HD      TYR  30  -6.601   6.851  -0.617
  121    HD2  TYR  30           2HD      TYR  30  -5.360   6.217   3.403
  122    HE1  TYR  30           1HE      TYR  30  -8.451   8.265   0.171
  123    HE2  TYR  30           2HE      TYR  30  -7.205   7.630   4.201
  124    HH   TYR  30           HH       TYR  30  -9.775   8.608   2.195
  125    H    ASN  31           H        ASN  31  -6.127   2.924   3.119
  126    HA   ASN  31           HA       ASN  31  -8.186   1.866   1.458
  127   1HB   ASN  31          2HB       ASN  31  -7.350   1.009   3.772
  128   2HB   ASN  31          1HB       ASN  31  -8.410   2.242   4.444
  129   1HD2  ASN  31          1HD2      ASN  31 -10.285   1.831   2.139
  130   2HD2  ASN  31          2HD2      ASN  31 -11.154   0.395   2.537
  131    H    THR  32           H        THR  32  -9.686   3.122   0.547
  132    HA   THR  32           HA       THR  32 -10.192   5.783   1.388
  133    HB   THR  32           HB       THR  32 -12.009   5.765  -0.294
  134    HG1  THR  32           1HG      THR  32 -12.858   3.835  -0.575
  135   1HG2  THR  32          1HG2      THR  32 -10.585   5.416  -2.241
  136   2HG2  THR  32          2HG2      THR  32  -9.441   4.501  -1.260
  137   3HG2  THR  32          3HG2      THR  32  -9.682   6.221  -0.957
  138    H    GLU  33           H        GLU  33 -11.988   2.753   1.852
  139    HA   GLU  33           HA       GLU  33 -14.225   4.072   3.059
  140   1HB   GLU  33          2HB       GLU  33 -14.704   2.053   1.936
  141   2HB   GLU  33          1HB       GLU  33 -13.407   1.199   2.759
  142   1HG   GLU  33          2HG       GLU  33 -14.617   1.078   4.767
  143   2HG   GLU  33          1HG       GLU  33 -15.772   2.300   4.242
  144    H    THR  34           H        THR  34 -11.312   2.538   4.209
  145    HA   THR  34           HA       THR  34 -12.198   2.752   6.985
  146    HB   THR  34           HB       THR  34  -9.659   1.577   5.839
  147    HG1  THR  34           1HG      THR  34 -10.681  -0.401   6.323
  148   1HG2  THR  34          1HG2      THR  34  -9.377   0.598   8.098
  149   2HG2  THR  34          2HG2      THR  34 -10.738   1.571   8.659
  150   3HG2  THR  34          3HG2      THR  34  -9.263   2.357   8.094
  151    H    LYS  35           H        LYS  35  -9.799   4.048   4.786
  152    HA   LYS  35           HA       LYS  35  -8.754   6.071   4.750
  153   1HB   LYS  35          2HB       LYS  35  -9.737   6.490   7.587
  154   2HB   LYS  35          1HB       LYS  35  -8.967   7.693   6.565
  155   1HG   LYS  35          2HG       LYS  35 -10.858   7.643   5.044
  156   2HG   LYS  35          1HG       LYS  35 -11.625   6.388   6.021
  157   1HD   LYS  35          2HD       LYS  35 -11.604   7.972   7.945
  158   2HD   LYS  35          1HD       LYS  35 -11.011   9.222   6.850
  159   1HE   LYS  35          2HE       LYS  35 -13.401   9.439   7.105
  160   2HE   LYS  35          1HE       LYS  35 -13.027   8.920   5.462
  161   1HZ   LYS  35          1HZ       LYS  35 -13.963   7.169   7.672
  162   2HZ   LYS  35          2HZ       LYS  35 -13.564   6.643   6.115
  163   3HZ   LYS  35          3HZ       LYS  35 -14.883   7.676   6.345
  164    H    GLN  36           H        GLN  36  -7.538   3.820   5.023
  165    HA   GLN  36           HA       GLN  36  -5.479   4.344   7.082
  166   1HB   GLN  36          2HB       GLN  36  -6.736   2.285   7.545
  167   2HB   GLN  36          1HB       GLN  36  -6.317   1.676   5.952
  168   1HG   GLN  36          2HG       GLN  36  -4.930   0.693   7.702
  169   2HG   GLN  36          1HG       GLN  36  -3.976   1.621   6.547
  170   1HE2  GLN  36          1HE2      GLN  36  -3.031   3.552   7.191
  171   2HE2  GLN  36          2HE2      GLN  36  -2.859   3.985   8.854
  172    H    SER  37           H        SER  37  -3.975   5.381   5.991
  173    HA   SER  37           HA       SER  37  -3.051   4.314   3.420
  174   1HB   SER  37          2HB       SER  37  -3.578   6.636   3.250
  175   2HB   SER  37          1HB       SER  37  -2.702   7.014   4.732
  176    HG   SER  37           HG       SER  37  -1.025   7.308   3.521
  177    H    THR  38           H        THR  38  -1.460   2.829   3.696
  178    HA   THR  38           HA       THR  38   1.021   3.611   4.902
  179    HB   THR  38           HB       THR  38  -0.119   3.024   6.962
  180    HG1  THR  38           1HG      THR  38   1.590   1.950   7.628
  181   1HG2  THR  38          1HG2      THR  38  -1.865   1.586   6.055
  182   2HG2  THR  38          2HG2      THR  38  -0.985   0.749   7.334
  183   3HG2  THR  38          3HG2      THR  38  -0.665   0.362   5.643
  184    H    TRP  39           H        TRP  39   2.626   1.692   4.845
  185    HA   TRP  39           HA       TRP  39   2.057   0.200   2.381
  186   1HB   TRP  39          2HB       TRP  39   4.715  -0.165   3.569
  187   2HB   TRP  39          1HB       TRP  39   4.279   0.231   1.915
  188    HD1  TRP  39           HD       TRP  39   5.201   1.788   5.241
  189    HE1  TRP  39           1HE      TRP  39   6.001   4.213   4.818
  190    HE3  TRP  39           3HE      TRP  39   3.976   2.178   0.314
  191    HZ2  TRP  39           2HZ      TRP  39   6.108   6.015   2.655
  192    HZ3  TRP  39           3HZ      TRP  39   4.460   4.281  -0.867
  193    HH2  TRP  39           HH       TRP  39   5.502   6.162   0.286
  194    H    GLU  40           H        GLU  40   0.949  -1.609   2.928
  195    HA   GLU  40           HA       GLU  40   2.300  -3.695   4.314
  196   1HB   GLU  40          2HB       GLU  40   1.145  -3.829   6.296
  197   2HB   GLU  40          1HB       GLU  40   1.160  -2.082   6.080
  198   1HG   GLU  40          2HG       GLU  40  -1.092  -2.180   5.138
  199   2HG   GLU  40          1HG       GLU  40  -1.109  -3.927   5.367
  200    H    LYS  41           H        LYS  41   0.964  -5.689   4.356
  201    HA   LYS  41           HA       LYS  41  -0.336  -6.115   1.907
  202   1HB   LYS  41          2HB       LYS  41  -1.053  -8.234   3.408
  203   2HB   LYS  41          1HB       LYS  41   0.505  -8.099   2.620
  204   1HG   LYS  41          2HG       LYS  41   1.576  -7.551   4.608
  205   2HG   LYS  41          1HG       LYS  41   0.069  -7.076   5.393
  206   1HD   LYS  41          2HD       LYS  41   0.708  -9.165   6.332
  207   2HD   LYS  41          1HD       LYS  41  -0.642  -9.486   5.242
  208   1HE   LYS  41          2HE       LYS  41   1.109 -11.163   4.985
  209   2HE   LYS  41          1HE       LYS  41   0.919 -10.213   3.511
  210   1HZ   LYS  41          1HZ       LYS  41   2.848  -8.916   4.123
  211   2HZ   LYS  41          2HZ       LYS  41   3.251 -10.557   4.092
  212   3HZ   LYS  41          3HZ       LYS  41   3.014  -9.774   5.572
  213    HA   PRO  42           HA       PRO  42  -4.272  -4.600   3.576
  214   1HB   PRO  42          2HB       PRO  42  -5.271  -4.340   0.913
  215   2HB   PRO  42          1HB       PRO  42  -4.733  -3.061   1.998
  216   1HG   PRO  42          2HG       PRO  42  -3.463  -3.818  -0.346
  217   2HG   PRO  42          1HG       PRO  42  -2.724  -2.887   0.966
  218   1HD   PRO  42          2HD       PRO  42  -2.464  -5.784   0.318
  219   2HD   PRO  42          1HD       PRO  42  -1.270  -4.666   1.007
  Start of MODEL   13
    1    H    SER  15           H        SER  15  -8.601  -2.933  -2.987
    2    HA   SER  15           HA       SER  15 -10.097  -1.966  -5.233
    3   1HB   SER  15          2HB       SER  15 -11.403  -3.819  -3.236
    4   2HB   SER  15          1HB       SER  15 -12.308  -2.761  -4.317
    5    HG   SER  15           HG       SER  15 -11.760  -5.086  -4.944
    6    H    MET  16           H        MET  16 -10.609  -2.471  -1.742
    7    HA   MET  16           HA       MET  16 -11.618   0.163  -1.338
    8   1HB   MET  16          2HB       MET  16 -10.615  -1.869   0.666
    9   2HB   MET  16          1HB       MET  16 -11.508  -0.408   1.064
   10   1HG   MET  16          2HG       MET  16 -13.448  -1.226  -0.112
   11   2HG   MET  16          1HG       MET  16 -12.559  -2.652  -0.642
   12   1HE   MET  16          1HE       MET  16 -14.040  -0.738   2.478
   13   2HE   MET  16          2HE       MET  16 -12.333  -0.929   2.877
   14   3HE   MET  16          3HE       MET  16 -13.555  -1.813   3.790
   15    H    TRP  17           H        TRP  17  -8.509  -1.069  -1.724
   16    HA   TRP  17           HA       TRP  17  -7.317   1.204  -0.284
   17   1HB   TRP  17          2HB       TRP  17  -5.936  -1.332  -1.177
   18   2HB   TRP  17          1HB       TRP  17  -5.249  -0.049  -0.187
   19    HD1  TRP  17           HD       TRP  17  -8.241  -2.525   0.075
   20    HE1  TRP  17           1HE      TRP  17  -8.401  -3.264   2.531
   21    HE3  TRP  17           3HE      TRP  17  -4.456   0.290   1.988
   22    HZ2  TRP  17           2HZ      TRP  17  -7.089  -2.705   4.980
   23    HZ3  TRP  17           3HZ      TRP  17  -3.962   0.138   4.389
   24    HH2  TRP  17           HH       TRP  17  -5.249  -1.331   5.859
   25    H    THR  18           H        THR  18  -6.228   2.709  -1.365
   26    HA   THR  18           HA       THR  18  -5.817   2.293  -4.239
   27    HB   THR  18           HB       THR  18  -5.688   4.814  -4.327
   28    HG1  THR  18           1HG      THR  18  -7.088   5.443  -2.218
   29   1HG2  THR  18          1HG2      THR  18  -7.703   3.625  -5.016
   30   2HG2  THR  18          2HG2      THR  18  -8.123   5.132  -4.202
   31   3HG2  THR  18          3HG2      THR  18  -8.271   3.596  -3.346
   32    H    GLU  19           H        GLU  19  -3.742   1.843  -4.730
   33    HA   GLU  19           HA       GLU  19  -1.652   2.820  -2.962
   34   1HB   GLU  19          2HB       GLU  19  -0.268   1.100  -3.789
   35   2HB   GLU  19          1HB       GLU  19  -1.850   0.380  -3.554
   36   1HG   GLU  19          2HG       GLU  19  -0.708   1.293  -6.185
   37   2HG   GLU  19          1HG       GLU  19  -0.799  -0.373  -5.619
   38    H    HIS  20           H        HIS  20  -0.205   4.281  -3.494
   39    HA   HIS  20           HA       HIS  20   0.356   4.917  -6.285
   40   1HB   HIS  20          2HB       HIS  20  -0.470   7.073  -4.331
   41   2HB   HIS  20          1HB       HIS  20  -0.041   7.285  -6.023
   42    HD1  HIS  20           1HD      HIS  20  -1.826   6.594  -7.789
   43    HD2  HIS  20           2HD      HIS  20  -3.080   6.232  -3.840
   44    HE1  HIS  20           1HE      HIS  20  -4.321   6.304  -7.901
   45    HE2  HIS  20           2HE      HIS  20  -5.068   6.191  -5.497
   46    H    LYS  21           H        LYS  21   2.424   5.715  -6.601
   47    HA   LYS  21           HA       LYS  21   4.438   5.177  -4.863
   48   1HB   LYS  21          2HB       LYS  21   4.468   7.508  -6.782
   49   2HB   LYS  21          1HB       LYS  21   5.864   6.644  -6.155
   50   1HG   LYS  21          2HG       LYS  21   5.764   5.357  -7.944
   51   2HG   LYS  21          1HG       LYS  21   4.300   4.663  -7.259
   52   1HD   LYS  21          2HD       LYS  21   4.619   6.667  -9.446
   53   2HD   LYS  21          1HD       LYS  21   3.575   5.253  -9.352
   54   1HE   LYS  21          2HE       LYS  21   2.102   6.418  -7.806
   55   2HE   LYS  21          1HE       LYS  21   3.154   7.831  -7.846
   56   1HZ   LYS  21          1HZ       LYS  21   1.719   6.704 -10.188
   57   2HZ   LYS  21          2HZ       LYS  21   2.677   8.097 -10.182
   58   3HZ   LYS  21          3HZ       LYS  21   1.230   8.065  -9.307
   59    H    SER  22           H        SER  22   5.789   6.418  -3.491
   60    HA   SER  22           HA       SER  22   4.928   9.016  -2.618
   61   1HB   SER  22          2HB       SER  22   3.991   6.637  -1.272
   62   2HB   SER  22          1HB       SER  22   4.951   7.638  -0.181
   63    HG   SER  22           HG       SER  22   3.393   9.269  -1.535
   64    HA   PRO  23           HA       PRO  23   8.725  10.453  -0.937
   65   1HB   PRO  23          2HB       PRO  23   8.136   8.975   1.588
   66   2HB   PRO  23          1HB       PRO  23   8.713  10.628   1.359
   67   1HG   PRO  23          2HG       PRO  23   6.035   9.805   1.720
   68   2HG   PRO  23          1HG       PRO  23   6.594  11.420   1.248
   69   1HD   PRO  23          2HD       PRO  23   5.072   9.717  -0.338
   70   2HD   PRO  23          1HD       PRO  23   6.029  11.077  -0.942
   71    H    ASP  24           H        ASP  24   8.356   7.225   0.582
   72    HA   ASP  24           HA       ASP  24  11.137   6.690   0.317
   73   1HB   ASP  24          2HB       ASP  24   9.477   5.755   2.048
   74   2HB   ASP  24          1HB       ASP  24   9.052   4.581   0.810
   75    H    GLY  25           H        GLY  25   9.637   7.221  -2.212
   76   1HA   GLY  25          2HA       GLY  25   9.566   6.462  -4.376
   77   2HA   GLY  25          1HA       GLY  25  11.035   5.593  -3.946
   78    H    ARG  26           H        ARG  26   7.884   5.116  -2.511
   79    HA   ARG  26           HA       ARG  26   7.518   2.646  -4.032
   80   1HB   ARG  26          2HB       ARG  26   6.834   1.532  -1.783
   81   2HB   ARG  26          1HB       ARG  26   8.529   1.615  -2.224
   82   1HG   ARG  26          2HG       ARG  26   8.663   3.690  -0.815
   83   2HG   ARG  26          1HG       ARG  26   7.068   3.269  -0.205
   84   1HD   ARG  26          2HD       ARG  26   9.497   1.494  -0.081
   85   2HD   ARG  26          1HD       ARG  26   8.881   2.466   1.254
   86    HE   ARG  26           HE       ARG  26   6.894   0.716   0.185
   87   1HH1  ARG  26          1HH1      ARG  26   9.652   0.869   2.313
   88   2HH1  ARG  26          2HH1      ARG  26   9.139  -0.470   3.283
   89   1HH2  ARG  26          1HH2      ARG  26   6.213  -1.048   1.461
   90   2HH2  ARG  26          2HH2      ARG  26   7.187  -1.559   2.799
   91    H    THR  27           H        THR  27   5.285   1.684  -3.505
   92    HA   THR  27           HA       THR  27   3.460   3.976  -3.465
   93    HB   THR  27           HB       THR  27   3.314   2.607  -5.470
   94    HG1  THR  27           1HG      THR  27   1.261   3.069  -3.785
   95   1HG2  THR  27          1HG2      THR  27   2.537   0.277  -5.364
   96   2HG2  THR  27          2HG2      THR  27   2.623   0.335  -3.603
   97   3HG2  THR  27          3HG2      THR  27   4.096   0.480  -4.562
   98    H    TYR  28           H        TYR  28   2.044   4.281  -1.893
   99    HA   TYR  28           HA       TYR  28   1.770   2.214   0.175
  100   1HB   TYR  28          2HB       TYR  28   1.224   3.937   1.713
  101   2HB   TYR  28          1HB       TYR  28   2.573   4.564   0.777
  102    HD1  TYR  28           1HD      TYR  28   2.163   6.300  -0.971
  103    HD2  TYR  28           2HD      TYR  28  -0.907   4.997   1.674
  104    HE1  TYR  28           1HE      TYR  28   0.835   8.289  -1.537
  105    HE2  TYR  28           2HE      TYR  28  -2.240   6.987   1.116
  106    HH   TYR  28           HH       TYR  28  -1.556   8.979  -1.512
  107    H    TYR  29           H        TYR  29  -0.308   1.694   0.989
  108    HA   TYR  29           HA       TYR  29  -2.423   2.164  -0.994
  109   1HB   TYR  29          2HB       TYR  29  -2.770   0.100   1.104
  110   2HB   TYR  29          1HB       TYR  29  -3.242   0.069  -0.582
  111    HD1  TYR  29           1HD      TYR  29  -0.471  -0.496   1.774
  112    HD2  TYR  29           2HD      TYR  29  -1.753  -0.770  -2.272
  113    HE1  TYR  29           1HE      TYR  29   1.490  -1.886   1.252
  114    HE2  TYR  29           2HE      TYR  29   0.203  -2.159  -2.805
  115    HH   TYR  29           HH       TYR  29   2.154  -3.571  -0.441
  116    H    TYR  30           H        TYR  30  -3.900   3.568  -0.491
  117    HA   TYR  30           HA       TYR  30  -4.395   4.210   2.321
  118   1HB   TYR  30          2HB       TYR  30  -3.828   6.200   1.259
  119   2HB   TYR  30          1HB       TYR  30  -4.631   5.750  -0.241
  120    HD1  TYR  30           1HD      TYR  30  -5.522   6.400   3.340
  121    HD2  TYR  30           2HD      TYR  30  -6.575   6.882  -0.753
  122    HE1  TYR  30           1HE      TYR  30  -7.478   7.732   4.007
  123    HE2  TYR  30           2HE      TYR  30  -8.532   8.217  -0.099
  124    HH   TYR  30           HH       TYR  30  -9.979   8.537   1.841
  125    H    ASN  31           H        ASN  31  -6.004   3.035   3.107
  126    HA   ASN  31           HA       ASN  31  -8.081   1.913   1.530
  127   1HB   ASN  31          2HB       ASN  31  -7.135   1.160   3.855
  128   2HB   ASN  31          1HB       ASN  31  -8.284   2.323   4.505
  129   1HD2  ASN  31          1HD2      ASN  31 -10.118   1.736   2.207
  130   2HD2  ASN  31          2HD2      ASN  31 -10.879   0.246   2.628
  131    H    THR  32           H        THR  32  -9.468   3.232   0.541
  132    HA   THR  32           HA       THR  32 -10.102   5.843   1.281
  133    HB   THR  32           HB       THR  32 -12.011   5.660  -0.276
  134    HG1  THR  32           1HG      THR  32 -12.851   3.718  -0.405
  135   1HG2  THR  32          1HG2      THR  32  -9.773   6.100  -1.157
  136   2HG2  THR  32          2HG2      THR  32 -10.706   5.113  -2.282
  137   3HG2  THR  32          3HG2      THR  32  -9.468   4.367  -1.272
  138    H    GLU  33           H        GLU  33 -12.013   2.872   1.798
  139    HA   GLU  33           HA       GLU  33 -14.112   4.177   3.164
  140   1HB   GLU  33          2HB       GLU  33 -14.570   2.092   2.139
  141   2HB   GLU  33          1HB       GLU  33 -13.234   1.313   2.974
  142   1HG   GLU  33          2HG       GLU  33 -15.319   0.606   3.940
  143   2HG   GLU  33          1HG       GLU  33 -14.439   1.593   5.105
  144    H    THR  34           H        THR  34 -11.677   1.949   4.434
  145    HA   THR  34           HA       THR  34 -12.209   2.463   7.145
  146    HB   THR  34           HB       THR  34  -9.661   1.418   5.899
  147    HG1  THR  34           1HG      THR  34 -11.487  -0.248   7.192
  148   1HG2  THR  34          1HG2      THR  34  -9.210   0.447   8.094
  149   2HG2  THR  34          2HG2      THR  34 -10.670   1.200   8.738
  150   3HG2  THR  34          3HG2      THR  34  -9.322   2.203   8.200
  151    H    LYS  35           H        LYS  35  -9.836   3.837   4.924
  152    HA   LYS  35           HA       LYS  35  -8.852   5.895   4.897
  153   1HB   LYS  35          2HB       LYS  35  -9.867   6.281   7.731
  154   2HB   LYS  35          1HB       LYS  35  -9.115   7.506   6.721
  155   1HG   LYS  35          2HG       LYS  35 -10.994   7.382   5.165
  156   2HG   LYS  35          1HG       LYS  35 -11.754   6.158   6.186
  157   1HD   LYS  35          2HD       LYS  35 -11.029   8.925   7.133
  158   2HD   LYS  35          1HD       LYS  35 -12.624   8.483   6.520
  159   1HE   LYS  35          2HE       LYS  35 -12.869   6.837   8.291
  160   2HE   LYS  35          1HE       LYS  35 -11.246   7.198   8.878
  161   1HZ   LYS  35          1HZ       LYS  35 -11.970   9.447   9.387
  162   2HZ   LYS  35          2HZ       LYS  35 -12.932   8.316  10.195
  163   3HZ   LYS  35          3HZ       LYS  35 -13.526   9.102   8.821
  164    H    GLN  36           H        GLN  36  -7.555   3.729   5.116
  165    HA   GLN  36           HA       GLN  36  -5.521   4.281   7.188
  166   1HB   GLN  36          2HB       GLN  36  -6.802   2.190   7.629
  167   2HB   GLN  36          1HB       GLN  36  -6.236   1.564   6.089
  168   1HG   GLN  36          2HG       GLN  36  -4.930   0.677   7.933
  169   2HG   GLN  36          1HG       GLN  36  -3.937   1.670   6.867
  170   1HE2  GLN  36          1HE2      GLN  36  -3.202   3.672   7.589
  171   2HE2  GLN  36          2HE2      GLN  36  -3.201   4.098   9.264
  172    H    SER  37           H        SER  37  -4.039   5.328   6.067
  173    HA   SER  37           HA       SER  37  -3.119   4.220   3.514
  174   1HB   SER  37          2HB       SER  37  -1.977   6.414   3.212
  175   2HB   SER  37          1HB       SER  37  -3.721   6.576   3.418
  176    HG   SER  37           HG       SER  37  -1.858   7.763   4.810
  177    H    THR  38           H        THR  38  -1.497   2.798   3.759
  178    HA   THR  38           HA       THR  38   0.954   3.555   5.020
  179    HB   THR  38           HB       THR  38  -0.261   2.922   7.040
  180    HG1  THR  38           1HG      THR  38   1.249   0.699   7.031
  181   1HG2  THR  38          1HG2      THR  38  -1.909   1.421   6.046
  182   2HG2  THR  38          2HG2      THR  38  -1.051   0.620   7.362
  183   3HG2  THR  38          3HG2      THR  38  -0.641   0.248   5.687
  184    H    TRP  39           H        TRP  39   2.531   1.620   5.020
  185    HA   TRP  39           HA       TRP  39   2.114   0.162   2.501
  186   1HB   TRP  39          2HB       TRP  39   4.694  -0.052   3.967
  187   2HB   TRP  39          1HB       TRP  39   4.403   0.089   2.239
  188    HD1  TRP  39           HD       TRP  39   4.899   2.143   5.377
  189    HE1  TRP  39           1HE      TRP  39   5.585   4.541   4.701
  190    HE3  TRP  39           3HE      TRP  39   4.186   1.762   0.361
  191    HZ2  TRP  39           2HZ      TRP  39   5.813   6.037   2.324
  192    HZ3  TRP  39           3HZ      TRP  39   4.668   3.715  -1.050
  193    HH2  TRP  39           HH       TRP  39   5.466   5.802  -0.087
  194    H    GLU  40           H        GLU  40   0.980  -1.682   2.977
  195    HA   GLU  40           HA       GLU  40   2.295  -3.752   4.418
  196   1HB   GLU  40          2HB       GLU  40   1.075  -3.901   6.355
  197   2HB   GLU  40          1HB       GLU  40   1.050  -2.156   6.136
  198   1HG   GLU  40          2HG       GLU  40  -1.162  -2.325   5.102
  199   2HG   GLU  40          1HG       GLU  40  -1.139  -4.068   5.354
  200    H    LYS  41           H        LYS  41   1.032  -5.776   4.362
  201    HA   LYS  41           HA       LYS  41  -0.147  -6.220   1.874
  202   1HB   LYS  41          2HB       LYS  41  -0.982  -8.303   3.414
  203   2HB   LYS  41          1HB       LYS  41   0.573  -8.219   2.616
  204   1HG   LYS  41          2HG       LYS  41   1.666  -7.620   4.591
  205   2HG   LYS  41          1HG       LYS  41   0.157  -7.167   5.385
  206   1HD   LYS  41          2HD       LYS  41   0.975  -9.283   6.261
  207   2HD   LYS  41          1HD       LYS  41  -0.535  -9.527   5.383
  208   1HE   LYS  41          2HE       LYS  41   0.701 -10.318   3.442
  209   2HE   LYS  41          1HE       LYS  41   2.227 -10.014   4.271
  210   1HZ   LYS  41          1HZ       LYS  41   1.556 -12.357   4.342
  211   2HZ   LYS  41          2HZ       LYS  41   0.155 -11.933   5.190
  212   3HZ   LYS  41          3HZ       LYS  41   1.674 -11.685   5.891
  213    HA   PRO  42           HA       PRO  42  -4.200  -4.812   3.301
  214   1HB   PRO  42          2HB       PRO  42  -5.014  -3.887   0.857
  215   2HB   PRO  42          1HB       PRO  42  -4.033  -2.959   1.990
  216   1HG   PRO  42          2HG       PRO  42  -3.280  -4.063  -0.570
  217   2HG   PRO  42          1HG       PRO  42  -2.357  -2.985   0.482
  218   1HD   PRO  42          2HD       PRO  42  -2.144  -5.889   0.145
  219   2HD   PRO  42          1HD       PRO  42  -1.002  -4.757   0.897
  Start of MODEL   14
    1    H    SER  15           H        SER  15  -8.811  -3.155  -2.528
    2    HA   SER  15           HA       SER  15 -10.110  -2.147  -4.856
    3   1HB   SER  15          2HB       SER  15 -11.686  -3.787  -2.877
    4   2HB   SER  15          1HB       SER  15 -12.450  -2.582  -3.913
    5    HG   SER  15           HG       SER  15 -12.110  -5.003  -4.564
    6    H    MET  16           H        MET  16 -10.787  -2.436  -1.373
    7    HA   MET  16           HA       MET  16 -11.560   0.265  -1.057
    8   1HB   MET  16          2HB       MET  16 -10.580  -1.702   1.023
    9   2HB   MET  16          1HB       MET  16 -11.423  -0.196   1.355
   10   1HG   MET  16          2HG       MET  16 -13.421  -1.012   0.327
   11   2HG   MET  16          1HG       MET  16 -12.593  -2.462  -0.240
   12   1HE   MET  16          1HE       MET  16 -12.209  -0.697   3.243
   13   2HE   MET  16          2HE       MET  16 -13.383  -1.574   4.223
   14   3HE   MET  16          3HE       MET  16 -13.934  -0.518   2.923
   15    H    TRP  17           H        TRP  17  -8.534  -1.203  -1.421
   16    HA   TRP  17           HA       TRP  17  -7.162   1.094  -0.194
   17   1HB   TRP  17          2HB       TRP  17  -5.928  -1.551  -0.974
   18   2HB   TRP  17          1HB       TRP  17  -5.181  -0.262  -0.045
   19    HD1  TRP  17           HD       TRP  17  -8.191  -2.697   0.339
   20    HE1  TRP  17           1HE      TRP  17  -8.346  -3.317   2.834
   21    HE3  TRP  17           3HE      TRP  17  -4.437   0.244   2.129
   22    HZ2  TRP  17           2HZ      TRP  17  -7.047  -2.633   5.250
   23    HZ3  TRP  17           3HZ      TRP  17  -3.948   0.209   4.531
   24    HH2  TRP  17           HH       TRP  17  -5.224  -1.200   6.068
   25    H    THR  18           H        THR  18  -6.262   2.540  -1.493
   26    HA   THR  18           HA       THR  18  -5.836   1.825  -4.302
   27    HB   THR  18           HB       THR  18  -5.728   4.307  -4.667
   28    HG1  THR  18           1HG      THR  18  -6.971   5.274  -2.639
   29   1HG2  THR  18          1HG2      THR  18  -8.151   4.678  -4.442
   30   2HG2  THR  18          2HG2      THR  18  -8.263   3.241  -3.425
   31   3HG2  THR  18          3HG2      THR  18  -7.787   3.089  -5.116
   32    H    GLU  19           H        GLU  19  -3.750   1.749  -5.084
   33    HA   GLU  19           HA       GLU  19  -1.665   2.547  -3.203
   34   1HB   GLU  19          2HB       GLU  19  -0.246   0.946  -4.157
   35   2HB   GLU  19          1HB       GLU  19  -1.810   0.164  -4.032
   36   1HG   GLU  19          2HG       GLU  19  -0.621   1.352  -6.530
   37   2HG   GLU  19          1HG       GLU  19  -0.713  -0.363  -6.134
   38    H    HIS  20           H        HIS  20  -0.267   4.096  -3.590
   39    HA   HIS  20           HA       HIS  20   0.251   5.023  -6.308
   40   1HB   HIS  20          2HB       HIS  20  -0.846   6.844  -4.152
   41   2HB   HIS  20          1HB       HIS  20  -0.185   7.393  -5.686
   42    HD1  HIS  20           1HD      HIS  20  -1.639   7.038  -7.798
   43    HD2  HIS  20           2HD      HIS  20  -3.424   5.769  -4.267
   44    HE1  HIS  20           1HE      HIS  20  -4.063   6.673  -8.363
   45    HE2  HIS  20           2HE      HIS  20  -5.101   5.812  -6.235
   46    H    LYS  21           H        LYS  21   2.267   6.005  -6.542
   47    HA   LYS  21           HA       LYS  21   4.331   5.373  -4.885
   48   1HB   LYS  21          2HB       LYS  21   4.212   7.913  -6.514
   49   2HB   LYS  21          1HB       LYS  21   5.656   7.035  -6.027
   50   1HG   LYS  21          2HG       LYS  21   5.531   6.125  -8.063
   51   2HG   LYS  21          1HG       LYS  21   4.280   5.112  -7.337
   52   1HD   LYS  21          2HD       LYS  21   2.551   6.591  -8.130
   53   2HD   LYS  21          1HD       LYS  21   3.755   7.726  -8.743
   54   1HE   LYS  21          2HE       LYS  21   3.344   4.897  -9.706
   55   2HE   LYS  21          1HE       LYS  21   2.801   6.355 -10.536
   56   1HZ   LYS  21          1HZ       LYS  21   5.107   7.045 -10.752
   57   2HZ   LYS  21          2HZ       LYS  21   4.870   5.530 -11.466
   58   3HZ   LYS  21          3HZ       LYS  21   5.627   5.645  -9.957
   59    H    SER  22           H        SER  22   5.640   6.551  -3.407
   60    HA   SER  22           HA       SER  22   4.606   8.969  -2.222
   61   1HB   SER  22          2HB       SER  22   3.820   6.452  -1.174
   62   2HB   SER  22          1HB       SER  22   4.944   7.174  -0.024
   63    HG   SER  22           HG       SER  22   2.801   8.641  -1.133
   64    HA   PRO  23           HA       PRO  23   8.414  10.537  -0.667
   65   1HB   PRO  23          2HB       PRO  23   7.862   8.920   1.797
   66   2HB   PRO  23          1HB       PRO  23   8.485  10.570   1.656
   67   1HG   PRO  23          2HG       PRO  23   5.824   9.898   2.067
   68   2HG   PRO  23          1HG       PRO  23   6.400  11.453   1.441
   69   1HD   PRO  23          2HD       PRO  23   4.831   9.542   0.067
   70   2HD   PRO  23          1HD       PRO  23   5.595  10.976  -0.631
   71    H    ASP  24           H        ASP  24   8.142   7.218   0.652
   72    HA   ASP  24           HA       ASP  24  10.934   6.754   0.423
   73   1HB   ASP  24          2HB       ASP  24   8.637   4.845   0.873
   74   2HB   ASP  24          1HB       ASP  24  10.335   4.398   0.991
   75    H    GLY  25           H        GLY  25   9.493   7.470  -2.110
   76   1HA   GLY  25          2HA       GLY  25   9.458   6.862  -4.322
   77   2HA   GLY  25          1HA       GLY  25  10.954   6.018  -3.935
   78    H    ARG  26           H        ARG  26   7.823   5.312  -2.552
   79    HA   ARG  26           HA       ARG  26   7.560   2.954  -4.253
   80   1HB   ARG  26          2HB       ARG  26   6.927   1.662  -2.065
   81   2HB   ARG  26          1HB       ARG  26   8.599   1.796  -2.569
   82   1HG   ARG  26          2HG       ARG  26   8.600   3.874  -1.008
   83   2HG   ARG  26          1HG       ARG  26   7.214   3.066  -0.274
   84   1HD   ARG  26          2HD       ARG  26   9.196   2.393   0.881
   85   2HD   ARG  26          1HD       ARG  26   8.579   1.025  -0.037
   86    HE   ARG  26           HE       ARG  26  10.546   2.492  -1.492
   87   1HH1  ARG  26          1HH1      ARG  26  10.109   0.104   1.008
   88   2HH1  ARG  26          2HH1      ARG  26  11.651  -0.640   0.747
   89   1HH2  ARG  26          1HH2      ARG  26  12.577   1.518  -1.844
   90   2HH2  ARG  26          2HH2      ARG  26  13.054   0.162  -0.875
   91    H    THR  27           H        THR  27   5.392   1.827  -3.794
   92    HA   THR  27           HA       THR  27   3.428   3.999  -3.610
   93    HB   THR  27           HB       THR  27   3.368   2.748  -5.701
   94    HG1  THR  27           1HG      THR  27   1.209   2.614  -5.708
   95   1HG2  THR  27          1HG2      THR  27   4.247   0.614  -5.026
   96   2HG2  THR  27          2HG2      THR  27   2.628   0.363  -5.680
   97   3HG2  THR  27          3HG2      THR  27   2.887   0.345  -3.935
   98    H    TYR  28           H        TYR  28   2.056   4.131  -1.993
   99    HA   TYR  28           HA       TYR  28   1.949   1.932  -0.062
  100   1HB   TYR  28          2HB       TYR  28   1.350   3.533   1.586
  101   2HB   TYR  28          1HB       TYR  28   2.678   4.237   0.677
  102    HD1  TYR  28           1HD      TYR  28  -0.680   4.673   1.814
  103    HD2  TYR  28           2HD      TYR  28   2.099   5.946  -1.146
  104    HE1  TYR  28           1HE      TYR  28  -2.047   6.671   1.395
  105    HE2  TYR  28           2HE      TYR  28   0.735   7.945  -1.573
  106    HH   TYR  28           HH       TYR  28  -1.611   8.669  -1.297
  107    H    TYR  29           H        TYR  29  -0.109   1.627   1.066
  108    HA   TYR  29           HA       TYR  29  -2.320   1.702  -0.854
  109   1HB   TYR  29          2HB       TYR  29  -1.878  -0.054   1.562
  110   2HB   TYR  29          1HB       TYR  29  -3.257  -0.149   0.477
  111    HD1  TYR  29           1HD      TYR  29  -2.871  -0.824  -1.925
  112    HD2  TYR  29           2HD      TYR  29   0.165  -1.104   1.040
  113    HE1  TYR  29           1HE      TYR  29  -1.609  -2.362  -3.369
  114    HE2  TYR  29           2HE      TYR  29   1.436  -2.643  -0.394
  115    HH   TYR  29           HH       TYR  29   0.738  -3.104  -3.666
  116    H    TYR  30           H        TYR  30  -3.736   3.241  -0.526
  117    HA   TYR  30           HA       TYR  30  -4.211   4.220   2.195
  118   1HB   TYR  30          2HB       TYR  30  -3.618   6.044   0.851
  119   2HB   TYR  30          1HB       TYR  30  -4.522   5.442  -0.532
  120    HD1  TYR  30           1HD      TYR  30  -6.674   6.245  -0.959
  121    HD2  TYR  30           2HD      TYR  30  -4.966   6.845   2.890
  122    HE1  TYR  30           1HE      TYR  30  -8.565   7.694  -0.353
  123    HE2  TYR  30           2HE      TYR  30  -6.853   8.295   3.508
  124    HH   TYR  30           HH       TYR  30  -8.550   9.688   2.383
  125    H    ASN  31           H        ASN  31  -5.859   3.225   3.142
  126    HA   ASN  31           HA       ASN  31  -7.961   1.952   1.679
  127   1HB   ASN  31          2HB       ASN  31  -6.977   1.421   4.072
  128   2HB   ASN  31          1HB       ASN  31  -8.170   2.601   4.602
  129   1HD2  ASN  31          1HD2      ASN  31  -9.956   1.778   2.346
  130   2HD2  ASN  31          2HD2      ASN  31 -10.680   0.305   2.878
  131    H    THR  32           H        THR  32  -9.250   3.289   0.552
  132    HA   THR  32           HA       THR  32  -9.882   5.929   1.167
  133    HB   THR  32           HB       THR  32 -11.723   5.723  -0.444
  134    HG1  THR  32           1HG      THR  32 -11.135   2.951  -0.202
  135   1HG2  THR  32          1HG2      THR  32  -9.247   4.237  -1.329
  136   2HG2  THR  32          2HG2      THR  32  -9.408   5.991  -1.249
  137   3HG2  THR  32          3HG2      THR  32 -10.399   5.066  -2.376
  138    H    GLU  33           H        GLU  33 -11.838   3.006   1.774
  139    HA   GLU  33           HA       GLU  33 -14.003   4.365   2.947
  140   1HB   GLU  33          2HB       GLU  33 -14.397   2.200   2.107
  141   2HB   GLU  33          1HB       GLU  33 -13.060   1.522   3.021
  142   1HG   GLU  33          2HG       GLU  33 -15.186   0.852   3.969
  143   2HG   GLU  33          1HG       GLU  33 -14.300   1.874   5.097
  144    H    THR  34           H        THR  34 -11.569   2.342   4.526
  145    HA   THR  34           HA       THR  34 -12.290   3.147   7.149
  146    HB   THR  34           HB       THR  34  -9.767   1.805   6.162
  147    HG1  THR  34           1HG      THR  34 -11.834   0.682   5.894
  148   1HG2  THR  34          1HG2      THR  34  -9.502   1.077   8.514
  149   2HG2  THR  34          2HG2      THR  34 -10.842   2.132   8.966
  150   3HG2  THR  34          3HG2      THR  34  -9.353   2.824   8.320
  151    H    LYS  35           H        LYS  35  -9.813   4.208   4.891
  152    HA   LYS  35           HA       LYS  35  -8.698   6.192   4.733
  153   1HB   LYS  35          2HB       LYS  35  -9.762   6.879   7.491
  154   2HB   LYS  35          1HB       LYS  35  -8.946   7.972   6.383
  155   1HG   LYS  35          2HG       LYS  35 -10.823   7.676   4.789
  156   2HG   LYS  35          1HG       LYS  35 -11.654   6.714   6.013
  157   1HD   LYS  35          2HD       LYS  35 -11.665   8.611   7.530
  158   2HD   LYS  35          1HD       LYS  35 -10.756   9.573   6.363
  159   1HE   LYS  35          2HE       LYS  35 -12.608   9.404   4.777
  160   2HE   LYS  35          1HE       LYS  35 -13.514   8.429   5.932
  161   1HZ   LYS  35          1HZ       LYS  35 -12.676  11.254   6.300
  162   2HZ   LYS  35          2HZ       LYS  35 -13.478  10.324   7.463
  163   3HZ   LYS  35          3HZ       LYS  35 -14.250  10.706   6.007
  164    H    GLN  36           H        GLN  36  -7.605   3.927   5.243
  165    HA   GLN  36           HA       GLN  36  -5.571   4.520   7.303
  166   1HB   GLN  36          2HB       GLN  36  -7.154   2.549   7.754
  167   2HB   GLN  36          1HB       GLN  36  -6.311   1.731   6.448
  168   1HG   GLN  36          2HG       GLN  36  -4.256   2.644   8.019
  169   2HG   GLN  36          1HG       GLN  36  -5.493   2.208   9.196
  170   1HE2  GLN  36          1HE2      GLN  36  -3.345   1.064   6.734
  171   2HE2  GLN  36          2HE2      GLN  36  -3.507  -0.620   7.080
  172    H    SER  37           H        SER  37  -3.939   5.293   6.152
  173    HA   SER  37           HA       SER  37  -3.128   3.911   3.703
  174   1HB   SER  37          2HB       SER  37  -1.709   5.930   3.313
  175   2HB   SER  37          1HB       SER  37  -3.429   6.294   3.435
  176    HG   SER  37           HG       SER  37  -2.691   6.543   5.840
  177    H    THR  38           H        THR  38  -1.466   2.514   3.772
  178    HA   THR  38           HA       THR  38   0.921   3.046   5.264
  179    HB   THR  38           HB       THR  38  -0.553   2.169   7.069
  180    HG1  THR  38           1HG      THR  38   1.831   1.722   6.839
  181   1HG2  THR  38          1HG2      THR  38  -1.202  -0.179   7.053
  182   2HG2  THR  38          2HG2      THR  38  -0.507  -0.377   5.444
  183   3HG2  THR  38          3HG2      THR  38  -1.913   0.663   5.674
  184    H    TRP  39           H        TRP  39   2.477   1.121   5.077
  185    HA   TRP  39           HA       TRP  39   2.155  -0.042   2.393
  186   1HB   TRP  39          2HB       TRP  39   4.649  -0.278   4.064
  187   2HB   TRP  39          1HB       TRP  39   4.500  -0.279   2.312
  188    HD1  TRP  39           HD       TRP  39   4.785   2.003   5.297
  189    HE1  TRP  39           1HE      TRP  39   5.435   4.369   4.497
  190    HE3  TRP  39           3HE      TRP  39   4.303   1.278   0.294
  191    HZ2  TRP  39           2HZ      TRP  39   5.719   5.717   2.049
  192    HZ3  TRP  39           3HZ      TRP  39   4.796   3.150  -1.215
  193    HH2  TRP  39           HH       TRP  39   5.488   5.319  -0.360
  194    H    GLU  40           H        GLU  40   0.980  -1.938   2.634
  195    HA   GLU  40           HA       GLU  40   2.230  -4.142   3.931
  196   1HB   GLU  40          2HB       GLU  40   0.943  -4.448   5.810
  197   2HB   GLU  40          1HB       GLU  40   0.964  -2.690   5.746
  198   1HG   GLU  40          2HG       GLU  40  -1.220  -2.690   4.676
  199   2HG   GLU  40          1HG       GLU  40  -1.245  -4.452   4.707
  200    H    LYS  41           H        LYS  41   0.857  -6.134   3.749
  201    HA   LYS  41           HA       LYS  41  -0.278  -6.335   1.183
  202   1HB   LYS  41          2HB       LYS  41  -0.999  -8.529   2.824
  203   2HB   LYS  41          1HB       LYS  41   0.219  -8.477   1.571
  204   1HG   LYS  41          2HG       LYS  41   1.836  -7.677   3.273
  205   2HG   LYS  41          1HG       LYS  41   0.584  -7.896   4.498
  206   1HD   LYS  41          2HD       LYS  41   1.940  -9.840   4.560
  207   2HD   LYS  41          1HD       LYS  41   0.433 -10.297   3.763
  208   1HE   LYS  41          2HE       LYS  41   1.549  -9.996   1.576
  209   2HE   LYS  41          1HE       LYS  41   3.057  -9.655   2.423
  210   1HZ   LYS  41          1HZ       LYS  41   1.525 -12.197   2.478
  211   2HZ   LYS  41          2HZ       LYS  41   2.878 -11.882   3.444
  212   3HZ   LYS  41          3HZ       LYS  41   3.035 -11.937   1.761
  213    HA   PRO  42           HA       PRO  42  -4.284  -5.014   2.863
  214   1HB   PRO  42          2HB       PRO  42  -5.182  -4.566   0.165
  215   2HB   PRO  42          1HB       PRO  42  -4.789  -3.375   1.405
  216   1HG   PRO  42          2HG       PRO  42  -3.329  -3.759  -0.889
  217   2HG   PRO  42          1HG       PRO  42  -2.699  -3.044   0.604
  218   1HD   PRO  42          2HD       PRO  42  -2.392  -5.829  -0.444
  219   2HD   PRO  42          1HD       PRO  42  -1.211  -4.805   0.401
  Start of MODEL   15
    1    H    SER  15           H        SER  15  -8.694  -3.251  -2.511
    2    HA   SER  15           HA       SER  15 -10.778  -2.988  -4.493
    3   1HB   SER  15          2HB       SER  15 -11.522  -5.010  -3.362
    4   2HB   SER  15          1HB       SER  15 -11.363  -4.222  -1.793
    5    HG   SER  15           HG       SER  15 -12.935  -2.647  -2.742
    6    H    MET  16           H        MET  16 -10.642  -2.531  -0.958
    7    HA   MET  16           HA       MET  16 -11.588   0.187  -1.264
    8   1HB   MET  16          2HB       MET  16 -10.808  -1.276   1.262
    9   2HB   MET  16          1HB       MET  16 -11.713   0.227   1.161
   10   1HG   MET  16          2HG       MET  16 -13.435  -1.111  -0.165
   11   2HG   MET  16          1HG       MET  16 -12.593  -2.540   0.430
   12   1HE   MET  16          1HE       MET  16 -11.708  -1.012   3.335
   13   2HE   MET  16          2HE       MET  16 -12.041  -2.735   3.164
   14   3HE   MET  16          3HE       MET  16 -12.909  -1.785   4.370
   15    H    TRP  17           H        TRP  17  -8.583  -1.283  -1.306
   16    HA   TRP  17           HA       TRP  17  -7.254   1.075  -0.165
   17   1HB   TRP  17          2HB       TRP  17  -5.951  -1.548  -0.888
   18   2HB   TRP  17          1HB       TRP  17  -5.264  -0.234   0.058
   19    HD1  TRP  17           HD       TRP  17  -8.300  -2.657   0.379
   20    HE1  TRP  17           1HE      TRP  17  -8.499  -3.298   2.865
   21    HE3  TRP  17           3HE      TRP  17  -4.502   0.187   2.240
   22    HZ2  TRP  17           2HZ      TRP  17  -7.207  -2.668   5.301
   23    HZ3  TRP  17           3HZ      TRP  17  -4.039   0.114   4.648
   24    HH2  TRP  17           HH       TRP  17  -5.363  -1.285   6.153
   25    H    THR  18           H        THR  18  -6.726   2.581  -1.583
   26    HA   THR  18           HA       THR  18  -5.974   1.799  -4.304
   27    HB   THR  18           HB       THR  18  -6.254   4.250  -4.810
   28    HG1  THR  18           1HG      THR  18  -6.072   4.949  -2.589
   29   1HG2  THR  18          1HG2      THR  18  -8.018   2.646  -5.336
   30   2HG2  THR  18          2HG2      THR  18  -8.709   4.182  -4.816
   31   3HG2  THR  18          3HG2      THR  18  -8.668   2.812  -3.706
   32    H    GLU  19           H        GLU  19  -3.811   1.596  -4.572
   33    HA   GLU  19           HA       GLU  19  -2.068   3.194  -2.863
   34   1HB   GLU  19          2HB       GLU  19  -0.372   1.587  -3.203
   35   2HB   GLU  19          1HB       GLU  19  -1.859   0.694  -2.943
   36   1HG   GLU  19          2HG       GLU  19  -0.547   1.214  -5.600
   37   2HG   GLU  19          1HG       GLU  19  -0.540  -0.306  -4.709
   38    H    HIS  20           H        HIS  20  -0.367   4.366  -3.549
   39    HA   HIS  20           HA       HIS  20   0.213   4.734  -6.369
   40   1HB   HIS  20          2HB       HIS  20  -0.468   7.174  -4.735
   41   2HB   HIS  20          1HB       HIS  20  -0.271   7.046  -6.476
   42    HD1  HIS  20           1HD      HIS  20  -2.309   6.292  -7.843
   43    HD2  HIS  20           2HD      HIS  20  -2.990   6.387  -3.740
   44    HE1  HIS  20           1HE      HIS  20  -4.798   6.071  -7.569
   45    HE2  HIS  20           2HE      HIS  20  -5.195   6.241  -5.087
   46    H    LYS  21           H        LYS  21   2.218   5.998  -6.671
   47    HA   LYS  21           HA       LYS  21   4.261   5.368  -4.984
   48   1HB   LYS  21          2HB       LYS  21   4.102   7.852  -6.693
   49   2HB   LYS  21          1HB       LYS  21   5.577   7.088  -6.103
   50   1HG   LYS  21          2HG       LYS  21   5.588   5.991  -8.039
   51   2HG   LYS  21          1HG       LYS  21   4.295   5.025  -7.320
   52   1HD   LYS  21          2HD       LYS  21   2.769   6.948  -8.236
   53   2HD   LYS  21          1HD       LYS  21   4.126   7.215  -9.333
   54   1HE   LYS  21          2HE       LYS  21   2.616   5.731 -10.423
   55   2HE   LYS  21          1HE       LYS  21   4.015   4.783  -9.915
   56   1HZ   LYS  21          1HZ       LYS  21   1.445   4.937  -8.435
   57   2HZ   LYS  21          2HZ       LYS  21   2.775   3.971  -8.036
   58   3HZ   LYS  21          3HZ       LYS  21   1.903   3.665  -9.452
   59    H    SER  22           H        SER  22   5.559   6.570  -3.518
   60    HA   SER  22           HA       SER  22   4.678   9.002  -2.340
   61   1HB   SER  22          2HB       SER  22   3.738   6.423  -1.222
   62   2HB   SER  22          1HB       SER  22   4.346   7.591  -0.050
   63    HG   SER  22           HG       SER  22   2.672   8.827  -0.411
   64    HA   PRO  23           HA       PRO  23   8.598   9.603  -0.307
   65   1HB   PRO  23          2HB       PRO  23   7.538   8.242   2.141
   66   2HB   PRO  23          1HB       PRO  23   8.533   9.697   2.008
   67   1HG   PRO  23          2HG       PRO  23   5.846   9.771   2.380
   68   2HG   PRO  23          1HG       PRO  23   6.745  11.037   1.526
   69   1HD   PRO  23          2HD       PRO  23   4.820   9.139   0.474
   70   2HD   PRO  23          1HD       PRO  23   5.551  10.533  -0.332
   71    H    ASP  24           H        ASP  24  10.509   8.540   0.054
   72    HA   ASP  24           HA       ASP  24  12.037   6.866   0.122
   73   1HB   ASP  24          2HB       ASP  24  10.604   5.970   1.982
   74   2HB   ASP  24          1HB       ASP  24   9.771   4.980   0.789
   75    H    GLY  25           H        GLY  25   9.630   7.172  -2.051
   76   1HA   GLY  25          2HA       GLY  25   9.488   6.583  -4.267
   77   2HA   GLY  25          1HA       GLY  25  11.046   5.793  -4.082
   78    H    ARG  26           H        ARG  26   7.946   5.247  -2.508
   79    HA   ARG  26           HA       ARG  26   7.723   2.642  -3.798
   80   1HB   ARG  26          2HB       ARG  26   6.973   1.798  -1.426
   81   2HB   ARG  26          1HB       ARG  26   8.670   1.795  -1.881
   82   1HG   ARG  26          2HG       ARG  26   8.791   4.077  -0.749
   83   2HG   ARG  26          1HG       ARG  26   7.227   3.670  -0.049
   84   1HD   ARG  26          2HD       ARG  26   9.737   2.029   0.213
   85   2HD   ARG  26          1HD       ARG  26   9.072   3.096   1.447
   86    HE   ARG  26           HE       ARG  26   7.096   1.261   0.706
   87   1HH1  ARG  26          1HH1      ARG  26  10.182   1.328   2.321
   88   2HH1  ARG  26          2HH1      ARG  26   9.828  -0.032   3.332
   89   1HH2  ARG  26          1HH2      ARG  26   6.620  -0.533   2.034
   90   2HH2  ARG  26          2HH2      ARG  26   7.803  -1.091   3.168
   91    H    THR  27           H        THR  27   5.502   1.665  -3.243
   92    HA   THR  27           HA       THR  27   3.603   3.891  -3.443
   93    HB   THR  27           HB       THR  27   3.607   2.375  -5.363
   94    HG1  THR  27           1HG      THR  27   1.529   3.181  -4.032
   95   1HG2  THR  27          1HG2      THR  27   2.828   0.064  -5.143
   96   2HG2  THR  27          2HG2      THR  27   2.755   0.245  -3.391
   97   3HG2  THR  27          3HG2      THR  27   4.309   0.317  -4.220
   98    H    TYR  28           H        TYR  28   2.172   4.275  -1.932
   99    HA   TYR  28           HA       TYR  28   1.818   2.303   0.207
  100   1HB   TYR  28          2HB       TYR  28   1.078   4.108   1.628
  101   2HB   TYR  28          1HB       TYR  28   2.594   4.563   0.885
  102    HD1  TYR  28           1HD      TYR  28   1.199   6.616   2.169
  103    HD2  TYR  28           2HD      TYR  28   0.495   5.137  -1.757
  104    HE1  TYR  28           1HE      TYR  28   0.206   8.770   1.535
  105    HE2  TYR  28           2HE      TYR  28  -0.493   7.284  -2.397
  106    HH   TYR  28           HH       TYR  28  -0.210  10.080  -0.499
  107    H    TYR  29           H        TYR  29  -0.313   1.843   1.008
  108    HA   TYR  29           HA       TYR  29  -2.322   2.122  -1.116
  109   1HB   TYR  29          2HB       TYR  29  -2.331   0.198   1.214
  110   2HB   TYR  29          1HB       TYR  29  -3.454   0.209  -0.133
  111    HD1  TYR  29           1HD      TYR  29   0.220  -0.046   0.516
  112    HD2  TYR  29           2HD      TYR  29  -3.085  -1.261  -1.872
  113    HE1  TYR  29           1HE      TYR  29   1.685  -1.591  -0.715
  114    HE2  TYR  29           2HE      TYR  29  -1.628  -2.806  -3.111
  115    HH   TYR  29           HH       TYR  29   1.493  -3.627  -2.065
  116    H    TYR  30           H        TYR  30  -4.033   3.339  -0.828
  117    HA   TYR  30           HA       TYR  30  -4.487   4.510   1.822
  118   1HB   TYR  30          2HB       TYR  30  -4.043   6.144   0.067
  119   2HB   TYR  30          1HB       TYR  30  -5.313   5.449  -0.934
  120    HD1  TYR  30           1HD      TYR  30  -4.692   7.296   2.218
  121    HD2  TYR  30           2HD      TYR  30  -7.564   6.113  -0.686
  122    HE1  TYR  30           1HE      TYR  30  -6.336   8.816   3.233
  123    HE2  TYR  30           2HE      TYR  30  -9.214   7.631   0.317
  124    HH   TYR  30           HH       TYR  30  -9.634   8.705   2.508
  125    H    ASN  31           H        ASN  31  -5.948   3.305   2.900
  126    HA   ASN  31           HA       ASN  31  -8.074   1.915   1.580
  127   1HB   ASN  31          2HB       ASN  31  -6.945   1.315   3.839
  128   2HB   ASN  31          1HB       ASN  31  -7.996   2.548   4.529
  129   1HD2  ASN  31          1HD2      ASN  31 -10.074   1.823   2.461
  130   2HD2  ASN  31          2HD2      ASN  31 -10.812   0.396   3.088
  131    H    THR  32           H        THR  32  -9.438   3.255   0.525
  132    HA   THR  32           HA       THR  32 -10.188   5.828   1.269
  133    HB   THR  32           HB       THR  32 -12.144   5.519  -0.240
  134    HG1  THR  32           1HG      THR  32 -11.448   3.139  -1.265
  135   1HG2  THR  32          1HG2      THR  32  -9.516   4.484  -1.312
  136   2HG2  THR  32          2HG2      THR  32  -9.967   6.181  -1.140
  137   3HG2  THR  32          3HG2      THR  32 -10.834   5.149  -2.277
  138    H    GLU  33           H        GLU  33 -11.870   2.758   1.911
  139    HA   GLU  33           HA       GLU  33 -14.084   3.934   3.211
  140   1HB   GLU  33          2HB       GLU  33 -14.353   1.767   2.304
  141   2HB   GLU  33          1HB       GLU  33 -12.941   1.160   3.158
  142   1HG   GLU  33          2HG       GLU  33 -14.960   0.313   4.173
  143   2HG   GLU  33          1HG       GLU  33 -14.140   1.408   5.286
  144    H    THR  34           H        THR  34 -11.461   2.009   4.593
  145    HA   THR  34           HA       THR  34 -12.080   2.694   7.273
  146    HB   THR  34           HB       THR  34  -9.528   1.543   6.133
  147    HG1  THR  34           1HG      THR  34 -11.146  -0.103   7.591
  148   1HG2  THR  34          1HG2      THR  34 -10.516   1.665   8.987
  149   2HG2  THR  34          2HG2      THR  34  -9.121   2.518   8.325
  150   3HG2  THR  34          3HG2      THR  34  -9.108   0.757   8.432
  151    H    LYS  35           H        LYS  35  -9.787   3.980   4.939
  152    HA   LYS  35           HA       LYS  35  -8.807   6.044   4.805
  153   1HB   LYS  35          2HB       LYS  35  -9.742   6.524   7.654
  154   2HB   LYS  35          1HB       LYS  35  -9.029   7.718   6.580
  155   1HG   LYS  35          2HG       LYS  35 -10.955   7.512   5.082
  156   2HG   LYS  35          1HG       LYS  35 -11.676   6.339   6.187
  157   1HD   LYS  35          2HD       LYS  35 -11.802   8.000   7.935
  158   2HD   LYS  35          1HD       LYS  35 -10.942   9.168   6.930
  159   1HE   LYS  35          2HE       LYS  35 -12.788   9.148   5.327
  160   2HE   LYS  35          1HE       LYS  35 -13.643   7.967   6.318
  161   1HZ   LYS  35          1HZ       LYS  35 -14.448  10.227   6.680
  162   2HZ   LYS  35          2HZ       LYS  35 -12.908  10.713   7.181
  163   3HZ   LYS  35          3HZ       LYS  35 -13.776   9.583   8.093
  164    H    GLN  36           H        GLN  36  -7.540   3.844   5.112
  165    HA   GLN  36           HA       GLN  36  -5.447   4.439   7.115
  166   1HB   GLN  36          2HB       GLN  36  -6.698   2.376   7.644
  167   2HB   GLN  36          1HB       GLN  36  -6.251   1.722   6.077
  168   1HG   GLN  36          2HG       GLN  36  -4.847   0.811   7.826
  169   2HG   GLN  36          1HG       GLN  36  -3.899   1.787   6.707
  170   1HE2  GLN  36          1HE2      GLN  36  -3.074   3.767   7.394
  171   2HE2  GLN  36          2HE2      GLN  36  -2.962   4.181   9.068
  172    H    SER  37           H        SER  37  -3.955   5.434   5.984
  173    HA   SER  37           HA       SER  37  -3.096   4.321   3.414
  174   1HB   SER  37          2HB       SER  37  -3.693   6.727   3.471
  175   2HB   SER  37          1HB       SER  37  -2.420   6.999   4.659
  176    HG   SER  37           HG       SER  37  -1.212   7.290   2.969
  177    H    THR  38           H        THR  38  -1.496   2.843   3.652
  178    HA   THR  38           HA       THR  38   0.999   3.580   4.843
  179    HB   THR  38           HB       THR  38  -0.102   3.007   6.912
  180    HG1  THR  38           1HG      THR  38   1.980   2.276   6.929
  181   1HG2  THR  38          1HG2      THR  38  -1.054   0.775   7.295
  182   2HG2  THR  38          2HG2      THR  38  -0.777   0.372   5.600
  183   3HG2  THR  38          3HG2      THR  38  -1.920   1.645   6.028
  184    H    TRP  39           H        TRP  39   2.573   1.647   4.795
  185    HA   TRP  39           HA       TRP  39   2.040   0.144   2.325
  186   1HB   TRP  39          2HB       TRP  39   4.691  -0.175   3.546
  187   2HB   TRP  39          1HB       TRP  39   4.273   0.211   1.882
  188    HD1  TRP  39           HD       TRP  39   4.943   1.830   5.252
  189    HE1  TRP  39           1HE      TRP  39   5.725   4.262   4.856
  190    HE3  TRP  39           3HE      TRP  39   4.191   2.076   0.234
  191    HZ2  TRP  39           2HZ      TRP  39   6.004   6.020   2.664
  192    HZ3  TRP  39           3HZ      TRP  39   4.743   4.159  -0.950
  193    HH2  TRP  39           HH       TRP  39   5.631   6.092   0.245
  194    H    GLU  40           H        GLU  40   0.978  -1.709   2.833
  195    HA   GLU  40           HA       GLU  40   2.325  -3.734   4.292
  196   1HB   GLU  40          2HB       GLU  40   1.135  -3.851   6.256
  197   2HB   GLU  40          1HB       GLU  40   1.114  -2.109   6.004
  198   1HG   GLU  40          2HG       GLU  40  -1.116  -2.288   5.009
  199   2HG   GLU  40          1HG       GLU  40  -1.097  -4.026   5.301
  200    H    LYS  41           H        LYS  41   0.974  -5.746   4.376
  201    HA   LYS  41           HA       LYS  41  -0.270  -6.198   1.884
  202   1HB   LYS  41          2HB       LYS  41  -0.930  -8.349   3.362
  203   2HB   LYS  41          1HB       LYS  41   0.633  -8.157   2.595
  204   1HG   LYS  41          2HG       LYS  41   1.664  -7.602   4.599
  205   2HG   LYS  41          1HG       LYS  41   0.138  -7.159   5.364
  206   1HD   LYS  41          2HD       LYS  41   0.879  -9.248   6.292
  207   2HD   LYS  41          1HD       LYS  41  -0.530  -9.557   5.278
  208   1HE   LYS  41          2HE       LYS  41   1.136 -11.255   4.878
  209   2HE   LYS  41          1HE       LYS  41   0.979 -10.237   3.448
  210   1HZ   LYS  41          1HZ       LYS  41   2.961  -9.037   4.122
  211   2HZ   LYS  41          2HZ       LYS  41   3.293 -10.688   3.967
  212   3HZ   LYS  41          3HZ       LYS  41   3.109 -10.004   5.503
  213    HA   PRO  42           HA       PRO  42  -4.235  -4.794   3.563
  214   1HB   PRO  42          2HB       PRO  42  -5.249  -4.534   0.896
  215   2HB   PRO  42          1HB       PRO  42  -4.738  -3.257   1.995
  216   1HG   PRO  42          2HG       PRO  42  -3.445  -3.944  -0.350
  217   2HG   PRO  42          1HG       PRO  42  -2.719  -3.040   0.989
  218   1HD   PRO  42          2HD       PRO  42  -2.461  -5.931   0.291
  219   2HD   PRO  42          1HD       PRO  42  -1.253  -4.817   0.964