*HEADER    METAL BINDING PROTEIN                   28-NOV-06   2O10              
*TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL LIM DOMAIN OF MLP/CRP3           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MUSCLE LIM PROTEIN;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: LIM ZINC-BINDING DOMAIN 1, RESIDUES 7-66;                  
*COMPND   5 SYNONYM: CYSTEINE AND GLYCINE-RICH PROTEIN 3, CYSTEINE-              
*COMPND   6 RICH PROTEIN 3, CRP3, LIM DOMAIN PROTEIN, CARDIAC;                   
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: CSRP3, CLP, MLP;                                               
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 DE3 PLYSS;                            
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET24                                     
*KEYWDS    LIM DOMAIN, ZINC BINDING, CRP, MLP, METAL BINDING PROTEIN             
*EXPDTA    NMR, 19 STRUCTURES                                                    
*AUTHOR    T.SCHALLUS, C.MUHLE-GOLL, C.EDLICH                                    
*REVDAT   1   11-DEC-07 2O10    0                                                


 ASSI {    1}
   (( segid "LIM1" and resid 56   and name HN  ))
   (( segid "LIM1" and resid 55   and name HB1 ))
      2.900     1.000     1.000 peak     1 spectrum    1 weight  0.11000E+01 volume  0.12290E-02 ppm1      7.587 ppm2      2.046 CV     1
 ASSI {    1}
   (( segid "LIM1" and resid 12   and name HN  ))
   (( segid "LIM1" and resid 13   and name HN  ))
      2.500     0.800     0.800 peak     1 spectrum    1 weight  0.11000E+01 volume  0.45968E-02 ppm1      9.209 ppm2      8.062 CV     1
 ASSI {    3}
   (( segid "LIM1" and resid 11   and name HN  ))
   (( segid "LIM1" and resid 11   and name HA2 ))
      2.900     1.000     1.000 peak     3 spectrum    1 weight  0.11000E+01 volume  0.39287E-02 ppm1      8.543 ppm2      3.094 CV     1
 ASSI {    4}
   (( segid "LIM1" and resid 11   and name HN  ))
   (( segid "LIM1" and resid 11   and name HA1 ))
      2.500     0.800     0.800 peak     4 spectrum    1 weight  0.11000E+01 volume  0.33799E-02 ppm1      8.528 ppm2      3.823 CV     1
 ASSI {    5}
   (( segid "LIM1" and resid 11   and name HN  ))
   (( segid "LIM1" and resid 10   and name HA  ))
      2.100     0.600     0.600 peak     5 spectrum    1 weight  0.11000E+01 volume  0.79186E-02 ppm1      8.540 ppm2      4.049 CV     1
 ASSI {    6}
   (( segid "LIM1" and resid 10   and name HN  ))
   (( segid "LIM1" and resid 10   and name HB2 ))
      2.600     0.800     0.800 peak     6 spectrum    1 weight  0.11000E+01 volume  0.30700E-02 ppm1      8.249 ppm2      2.305 CV     1
 ASSI {    7}
   (( segid "LIM1" and resid 10   and name HN  ))
   (( segid "LIM1" and resid 10   and name HB1 ))
      2.600     0.900     0.900 peak     7 spectrum    1 weight  0.11000E+01 volume  0.38074E-02 ppm1      8.249 ppm2      3.383 CV     1
 ASSI {    8}
   (( segid "LIM1" and resid 75   and name HE21))
   (( segid "LIM1" and resid 75   and name HE22))
      1.700     0.300     0.500 peak     8 spectrum    1 weight  0.11000E+01 volume  0.30725E-01 ppm1      7.509 ppm2      6.844 CV     1
 ASSI {   10}
   (( segid "LIM1" and resid 4    and name HE1 ))
   (( segid "LIM1" and resid 4    and name HZ2 ))
      3.400     1.500     1.500 peak    10 spectrum    1 weight  0.11000E+01 volume  0.11291E-02 ppm1     10.131 ppm2      7.425 CV     1
 ASSI {   11}
   (( segid "LIM1" and resid 4    and name HE1 ))
   (( segid "LIM1" and resid 4    and name HD1 ))
      2.900     1.100     1.100 peak    11 spectrum    1 weight  0.11000E+01 volume  0.25907E-02 ppm1     10.127 ppm2      7.193 CV     1
 ASSI {   12}
   (( segid "LIM1" and resid 4    and name HE1 ))
   (( segid "LIM1" and resid 4    and name HB1 ))
      4.000     2.000     2.000 peak    12 spectrum    1 weight  0.11000E+01 volume  0.97292E-03 ppm1     10.138 ppm2      3.196 CV     1
 ASSI {   13}
   (( segid "LIM1" and resid 6    and name HN  ))
   (( segid "LIM1" and resid 5    and name HA1 ))
      3.400     1.500     1.500 peak    13 spectrum    1 weight  0.11000E+01 volume  0.13116E-02 ppm1      7.715 ppm2      3.833 CV     1
 ASSI {   14}
   (( segid "LIM1" and resid 7    and name HN  ))
   (( segid "LIM1" and resid 6    and name HA1 ))
      2.600     0.800     0.800 peak    14 spectrum    1 weight  0.11000E+01 volume  0.41327E-02 ppm1      8.041 ppm2      3.802 CV     1
 ASSI {   15}
   (( segid "LIM1" and resid 8    and name HN  ))
   (  segid "LIM1" and resid 8    and name HB% )
      2.500     0.800     0.800 peak    15 spectrum    1 weight  0.11000E+01 volume  0.61184E-02 ppm1      8.116 ppm2      1.166 CV     1
 ASSI {   16}
   (( segid "LIM1" and resid 15   and name HN  ))
   (( segid "LIM1" and resid 10   and name HN  ))
      1.600     1.600     4.400 peak    16 spectrum    1 weight  0.11000E+01 volume  0.85228E-01 ppm1      8.249 ppm2      8.250 CV     1
 ASSI {   17}
   (( segid "LIM1" and resid 9    and name HN  ))
   (( segid "LIM1" and resid 8    and name HA  ))
      2.300     0.700     0.700 peak    17 spectrum    1 weight  0.11000E+01 volume  0.10544E-01 ppm1      8.244 ppm2      4.310 CV     1
 ASSI {   18}
   (( segid "LIM1" and resid 15   and name HN  ))
   (( segid "LIM1" and resid 14   and name HA  ))
      2.600     0.900     0.900 peak    18 spectrum    1 weight  0.11000E+01 volume  0.44781E-02 ppm1      8.252 ppm2      4.014 CV     1
 ASSI {   19}
   (( segid "LIM1" and resid 15   and name HN  ))
   (( segid "LIM1" and resid 10   and name HB1 ))
      2.700     0.900     0.900 peak    19 spectrum    1 weight  0.11000E+01 volume  0.27169E-02 ppm1      8.260 ppm2      3.381 CV     1
 ASSI {   20}
   (( segid "LIM1" and resid 15   and name HN  ))
   (( segid "LIM1" and resid 10   and name HB2 ))
      3.200     1.300     1.300 peak    20 spectrum    1 weight  0.11000E+01 volume  0.22752E-02 ppm1      8.258 ppm2      2.291 CV     1
 ASSI {   21}
   (( segid "LIM1" and resid 15   and name HN  ))
   (( segid "LIM1" and resid 15   and name HB1 ))
      3.200     1.300     1.300 peak    21 spectrum    1 weight  0.11000E+01 volume  0.42953E-02 ppm1      8.259 ppm2      2.057 CV     1
 ASSI {   22}
   (( segid "LIM1" and resid 15   and name HN  ))
   (( segid "LIM1" and resid 15   and name HG1 ))
      2.700     0.900     0.900 peak    22 spectrum    1 weight  0.11000E+01 volume  0.26111E-02 ppm1      8.259 ppm2      1.641 CV     1
 ASSI {   23}
   (( segid "LIM1" and resid 9    and name HN  ))
   (( segid "LIM1" and resid 9    and name HG1 ))
      2.700     0.900     0.900 peak    23 spectrum    1 weight  0.11000E+01 volume  0.49200E-02 ppm1      8.248 ppm2      1.174 CV     1
 ASSI {   24}
   (( segid "LIM1" and resid 15   and name HN  ))
   (( segid "LIM1" and resid 14   and name HN  ))
      2.600     0.800     0.800 peak    24 spectrum    1 weight  0.11000E+01 volume  0.33282E-02 ppm1      8.244 ppm2      7.986 CV     1
 ASSI {   25}
   (( segid "LIM1" and resid 10   and name HN  ))
   (( segid "LIM1" and resid 9    and name HB2 ))
      3.300     1.400     1.400 peak    25 spectrum    1 weight  0.11000E+01 volume  0.88276E-03 ppm1      8.255 ppm2      1.271 CV     1
 ASSI {   26}
   (( segid "LIM1" and resid 10   and name HN  ))
   (  segid "LIM1" and resid 17   and name HG2%)
      3.200     1.300     1.300 peak    26 spectrum    1 weight  0.11000E+01 volume  0.10552E-02 ppm1      8.242 ppm2      0.148 CV     1
 ASSI {   27}
   (( segid "LIM1" and resid 10   and name HN  ))
   (( segid "LIM1" and resid 9    and name HB1 ))
      4.300     2.300     1.700 peak    27 spectrum    1 weight  0.11000E+01 volume  0.68150E-03 ppm1      8.250 ppm2      1.465 CV     1
 ASSI {   28}
   (( segid "LIM1" and resid 11   and name HN  ))
   (( segid "LIM1" and resid 30   and name HA  ))
      2.900     1.100     1.100 peak    28 spectrum    1 weight  0.11000E+01 volume  0.14960E-02 ppm1      8.541 ppm2      5.695 CV     1
 ASSI {   29}
   (( segid "LIM1" and resid 12   and name HN  ))
   (( segid "LIM1" and resid 11   and name HN  ))
      2.800     1.000     1.000 peak    29 spectrum    1 weight  0.11000E+01 volume  0.21493E-02 ppm1      9.209 ppm2      8.536 CV     1
 ASSI {   30}
   (( segid "LIM1" and resid 12   and name HN  ))
   (  segid "LIM1" and resid 30   and name HD% )
      2.900     2.900     3.100 peak    30 spectrum    1 weight  0.11000E+01 volume  0.20260E-02 ppm1      9.210 ppm2      7.128 CV     1
 ASSI {   31}
   (( segid "LIM1" and resid 12   and name HN  ))
   (( segid "LIM1" and resid 12   and name HA  ))
      3.200     1.300     1.300 peak    31 spectrum    1 weight  0.11000E+01 volume  0.15940E-02 ppm1      9.210 ppm2      4.867 CV     1
 ASSI {   34}
   (( segid "LIM1" and resid 13   and name HN  ))
   (( segid "LIM1" and resid 13   and name HA  ))
      3.100     1.200     1.200 peak    34 spectrum    1 weight  0.11000E+01 volume  0.16647E-02 ppm1      8.072 ppm2      4.977 CV     1
 ASSI {   35}
   (( segid "LIM1" and resid 13   and name HN  ))
   (( segid "LIM1" and resid 10   and name HB1 ))
      2.600     0.800     0.800 peak    35 spectrum    1 weight  0.11000E+01 volume  0.31329E-02 ppm1      8.069 ppm2      3.369 CV     1
 ASSI {   36}
   (( segid "LIM1" and resid 13   and name HN  ))
   (( segid "LIM1" and resid 13   and name HB2 ))
      3.600     1.600     1.600 peak    36 spectrum    1 weight  0.11000E+01 volume  0.22160E-02 ppm1      8.072 ppm2      2.993 CV     1
 ASSI {   37}
   (( segid "LIM1" and resid 13   and name HN  ))
   (  segid "LIM1" and resid 12   and name HB% )
      2.500     0.800     0.800 peak    37 spectrum    1 weight  0.11000E+01 volume  0.52447E-02 ppm1      8.072 ppm2      1.801 CV     1
 ASSI {   38}
   (( segid "LIM1" and resid 14   and name HN  ))
   (( segid "LIM1" and resid 13   and name HA  ))
      3.400     1.400     1.400 peak    38 spectrum    1 weight  0.11000E+01 volume  0.11561E-02 ppm1      7.987 ppm2      4.977 CV     1
 ASSI {   39}
   (( segid "LIM1" and resid 14   and name HN  ))
   (( segid "LIM1" and resid 14   and name HA  ))
      2.300     0.700     0.700 peak    39 spectrum    1 weight  0.11000E+01 volume  0.81091E-02 ppm1      7.977 ppm2      4.011 CV     1
 ASSI {   40}
   (( segid "LIM1" and resid 14   and name HN  ))
   (( segid "LIM1" and resid 10   and name HB1 ))
      3.000     3.000     3.000 peak    40 spectrum    1 weight  0.11000E+01 volume  0.23152E-02 ppm1      7.981 ppm2      3.374 CV     1
 ASSI {   41}
   (( segid "LIM1" and resid 14   and name HN  ))
   (( segid "LIM1" and resid 10   and name HB2 ))
      3.600     3.600     2.400 peak    41 spectrum    1 weight  0.11000E+01 volume  0.26480E-02 ppm1      7.982 ppm2      2.297 CV     1
 ASSI {   42}
   (( segid "LIM1" and resid 14   and name HN  ))
   (( segid "LIM1" and resid 14   and name HG1 ))
      2.900     1.100     1.100 peak    42 spectrum    1 weight  0.11000E+01 volume  0.28756E-02 ppm1      7.981 ppm2      2.130 CV     1
 ASSI {   43}
   (( segid "LIM1" and resid 16   and name HN  ))
   (( segid "LIM1" and resid 16   and name HA  ))
      2.500     0.800     0.800 peak    43 spectrum    1 weight  0.11000E+01 volume  0.40725E-02 ppm1      8.441 ppm2      4.050 CV     1
 ASSI {   44}
   (( segid "LIM1" and resid 16   and name HN  ))
   (( segid "LIM1" and resid 16   and name HB  ))
      2.900     1.100     1.100 peak    44 spectrum    1 weight  0.11000E+01 volume  0.46411E-02 ppm1      8.451 ppm2      3.713 CV     1
 ASSI {   45}
   (( segid "LIM1" and resid 54   and name HN  ))
   (( segid "LIM1" and resid 53   and name HB1 ))
      2.700     0.900     0.900 peak    45 spectrum    1 weight  0.11000E+01 volume  0.34559E-02 ppm1      8.434 ppm2      2.214 CV     1
 ASSI {   46}
   (( segid "LIM1" and resid 54   and name HN  ))
   (( segid "LIM1" and resid 53   and name HB2 ))
      2.400     0.700     0.700 peak    46 spectrum    1 weight  0.11000E+01 volume  0.53791E-02 ppm1      8.438 ppm2      2.023 CV     1
 ASSI {   47}
   (( segid "LIM1" and resid 54   and name HN  ))
   (( segid "LIM1" and resid 53   and name HG2 ))
      3.900     1.900     1.900 peak    47 spectrum    1 weight  0.11000E+01 volume  0.13188E-02 ppm1      8.446 ppm2      1.703 CV     1
 ASSI {   48}
   (( segid "LIM1" and resid 16   and name HN  ))
   (  segid "LIM1" and resid 16   and name HG2%)
      3.500     1.500     1.500 peak    48 spectrum    1 weight  0.11000E+01 volume  0.69995E-03 ppm1      8.452 ppm2      0.645 CV     1
 ASSI {   49}
   (( segid "LIM1" and resid 55   and name HN  ))
   (( segid "LIM1" and resid 54   and name HN  ))
      2.500     0.800     0.800 peak    49 spectrum    1 weight  0.11000E+01 volume  0.37254E-02 ppm1      8.698 ppm2      8.428 CV     1
 ASSI {   50}
   (( segid "LIM1" and resid 17   and name HN  ))
   (( segid "LIM1" and resid 16   and name HA  ))
      2.100     0.500     0.500 peak    50 spectrum    1 weight  0.11000E+01 volume  0.10597E-01 ppm1      8.767 ppm2      4.040 CV     1
 ASSI {   51}
   (( segid "LIM1" and resid 17   and name HN  ))
   (( segid "LIM1" and resid 17   and name HB  ))
      2.800     1.000     1.000 peak    51 spectrum    1 weight  0.11000E+01 volume  0.21140E-02 ppm1      8.765 ppm2      1.008 CV     1
 ASSI {   52}
   (( segid "LIM1" and resid 17   and name HN  ))
   (  segid "LIM1" and resid 16   and name HG2%)
      3.600     1.600     1.600 peak    52 spectrum    1 weight  0.11000E+01 volume  0.30340E-02 ppm1      8.767 ppm2      0.633 CV     1
 ASSI {   53}
   (( segid "LIM1" and resid 17   and name HN  ))
   (  segid "LIM1" and resid 17   and name HG1%)
      3.500     1.500     1.500 peak    53 spectrum    1 weight  0.11000E+01 volume  0.22861E-02 ppm1      8.769 ppm2      0.445 CV     1
 ASSI {   54}
   (( segid "LIM1" and resid 17   and name HN  ))
   (  segid "LIM1" and resid 17   and name HG2%)
      3.100     1.200     1.200 peak    54 spectrum    1 weight  0.11000E+01 volume  0.17277E-02 ppm1      8.770 ppm2      0.155 CV     1
 ASSI {   55}
   (( segid "LIM1" and resid 18   and name HN  ))
   (  segid "LIM1" and resid 18   and name HD% )
      3.200     3.200     2.800 peak    55 spectrum    1 weight  0.11000E+01 volume  0.12734E-02 ppm1      9.009 ppm2      7.176 CV     1
 ASSI {   56}
   (( segid "LIM1" and resid 18   and name HN  ))
   (( segid "LIM1" and resid 18   and name HA  ))
      3.100     1.200     1.200 peak    56 spectrum    1 weight  0.11000E+01 volume  0.14096E-02 ppm1      9.011 ppm2      4.634 CV     1
 ASSI {   57}
   (( segid "LIM1" and resid 18   and name HN  ))
   (( segid "LIM1" and resid 17   and name HA  ))
      2.200     0.600     0.600 peak    57 spectrum    1 weight  0.11000E+01 volume  0.81998E-02 ppm1      9.009 ppm2      4.037 CV     1
 ASSI {   58}
   (( segid "LIM1" and resid 18   and name HN  ))
   (( segid "LIM1" and resid 18   and name HB1 ))
      3.600     1.600     1.600 peak    58 spectrum    1 weight  0.11000E+01 volume  0.19856E-02 ppm1      9.010 ppm2      3.214 CV     1
 ASSI {   59}
   (( segid "LIM1" and resid 18   and name HN  ))
   (( segid "LIM1" and resid 18   and name HB2 ))
      2.600     0.800     0.800 peak    59 spectrum    1 weight  0.11000E+01 volume  0.30336E-02 ppm1      9.008 ppm2      2.798 CV     1
 ASSI {   60}
   (( segid "LIM1" and resid 18   and name HN  ))
   (  segid "LIM1" and resid 17   and name HG1%)
      3.200     1.300     1.300 peak    60 spectrum    1 weight  0.11000E+01 volume  0.10975E-02 ppm1      9.010 ppm2      0.439 CV     1
 ASSI {   61}
   (( segid "LIM1" and resid 18   and name HN  ))
   (  segid "LIM1" and resid 17   and name HG2%)
      4.200     2.200     1.800 peak    61 spectrum    1 weight  0.11000E+01 volume  0.12102E-02 ppm1      9.010 ppm2      0.151 CV     1
 ASSI {   62}
   (( segid "LIM1" and resid 52   and name HN  ))
   (  segid "LIM1" and resid 51   and name HB% )
      3.200     1.200     1.200 peak    62 spectrum    1 weight  0.11000E+01 volume  0.26355E-02 ppm1      8.600 ppm2      1.308 CV     1
 ASSI {   63}
   (( segid "LIM1" and resid 52   and name HN  ))
   (( segid "LIM1" and resid 52   and name HB2 ))
      3.300     1.400     1.400 peak    63 spectrum    1 weight  0.11000E+01 volume  0.13583E-02 ppm1      8.606 ppm2      2.620 CV     1
 ASSI {   64}
   (( segid "LIM1" and resid 19   and name HN  ))
   (( segid "LIM1" and resid 19   and name HB1 ))
      2.500     0.800     0.800 peak    64 spectrum    1 weight  0.11000E+01 volume  0.33079E-02 ppm1      8.577 ppm2      3.118 CV     1
 ASSI {   65}
   (( segid "LIM1" and resid 52   and name HN  ))
   (( segid "LIM1" and resid 51   and name HA  ))
      2.300     0.600     0.600 peak    65 spectrum    1 weight  0.11000E+01 volume  0.69212E-02 ppm1      8.600 ppm2      5.101 CV     1
 ASSI {   67}
   (( segid "LIM1" and resid 20   and name HN  ))
   (( segid "LIM1" and resid 20   and name HA  ))
      3.000     1.200     1.200 peak    67 spectrum    1 weight  0.11000E+01 volume  0.19512E-02 ppm1      8.141 ppm2      4.090 CV     1
 ASSI {   68}
   (( segid "LIM1" and resid 20   and name HN  ))
   (  segid "LIM1" and resid 20   and name HB% )
      2.800     1.000     1.000 peak    68 spectrum    1 weight  0.11000E+01 volume  0.29814E-02 ppm1      8.133 ppm2      1.386 CV     1
 ASSI {   69}
   (( segid "LIM1" and resid 20   and name HN  ))
   (( segid "LIM1" and resid 19   and name HB1 ))
      3.800     1.800     1.800 peak    69 spectrum    1 weight  0.11000E+01 volume  0.10484E-02 ppm1      8.133 ppm2      3.067 CV     1
 ASSI {   70}
   (( segid "LIM1" and resid 21   and name HN  ))
   (( segid "LIM1" and resid 20   and name HN  ))
      2.900     1.000     1.000 peak    70 spectrum    1 weight  0.11000E+01 volume  0.22564E-02 ppm1      7.741 ppm2      8.141 CV     1
 ASSI {   71}
   (( segid "LIM1" and resid 21   and name HN  ))
   (( segid "LIM1" and resid 22   and name HN  ))
      2.300     0.700     0.700 peak    71 spectrum    1 weight  0.11000E+01 volume  0.90890E-02 ppm1      7.739 ppm2      7.171 CV     1
 ASSI {   72}
   (( segid "LIM1" and resid 21   and name HN  ))
   (( segid "LIM1" and resid 21   and name HA  ))
      2.900     1.000     1.000 peak    72 spectrum    1 weight  0.11000E+01 volume  0.25005E-02 ppm1      7.737 ppm2      4.561 CV     1
 ASSI {   73}
   (( segid "LIM1" and resid 21   and name HN  ))
   (( segid "LIM1" and resid 20   and name HA  ))
      3.500     1.500     1.500 peak    73 spectrum    1 weight  0.11000E+01 volume  0.12719E-02 ppm1      7.731 ppm2      4.080 CV     1
 ASSI {   74}
   (( segid "LIM1" and resid 21   and name HN  ))
   (( segid "LIM1" and resid 21   and name HB2 ))
      3.100     1.200     1.200 peak    74 spectrum    1 weight  0.11000E+01 volume  0.35994E-02 ppm1      7.739 ppm2      2.298 CV     1
 ASSI {   75}
   (( segid "LIM1" and resid 21   and name HN  ))
   (( segid "LIM1" and resid 21   and name HB1 ))
      3.200     1.300     1.300 peak    75 spectrum    1 weight  0.11000E+01 volume  0.18187E-02 ppm1      7.735 ppm2      2.468 CV     1
 ASSI {   76}
   (( segid "LIM1" and resid 21   and name HN  ))
   (  segid "LIM1" and resid 20   and name HB% )
      3.100     1.200     1.200 peak    76 spectrum    1 weight  0.11000E+01 volume  0.18763E-02 ppm1      7.741 ppm2      1.390 CV     1
 ASSI {   79}
   (( segid "LIM1" and resid 22   and name HN  ))
   (( segid "LIM1" and resid 21   and name HA  ))
      3.200     1.300     1.300 peak    79 spectrum    1 weight  0.11000E+01 volume  0.10975E-02 ppm1      7.162 ppm2      4.549 CV     1
 ASSI {   80}
   (( segid "LIM1" and resid 22   and name HN  ))
   (( segid "LIM1" and resid 22   and name HA  ))
      3.100     1.200     1.200 peak    80 spectrum    1 weight  0.11000E+01 volume  0.14694E-02 ppm1      7.168 ppm2      4.334 CV     1
 ASSI {   81}
   (( segid "LIM1" and resid 22   and name HN  ))
   (( segid "LIM1" and resid 21   and name HB2 ))
      4.300     2.300     1.700 peak    81 spectrum    1 weight  0.11000E+01 volume  0.63079E-03 ppm1      7.163 ppm2      2.293 CV     1
 ASSI {   82}
   (( segid "LIM1" and resid 22   and name HN  ))
   (( segid "LIM1" and resid 22   and name HB1 ))
      2.600     0.800     0.800 peak    82 spectrum    1 weight  0.11000E+01 volume  0.34337E-02 ppm1      7.167 ppm2      2.013 CV     1
 ASSI {   83}
   (( segid "LIM1" and resid 22   and name HN  ))
   (( segid "LIM1" and resid 22   and name HG2 ))
      3.400     1.500     1.500 peak    83 spectrum    1 weight  0.11000E+01 volume  0.26424E-02 ppm1      7.168 ppm2      1.781 CV     1
 ASSI {   84}
   (( segid "LIM1" and resid 22   and name HN  ))
   (  segid "LIM1" and resid 20   and name HB% )
      3.000     3.000     3.000 peak    84 spectrum    1 weight  0.11000E+01 volume  0.46361E-03 ppm1      7.178 ppm2      1.385 CV     1
 ASSI {   85}
   (( segid "LIM1" and resid 22   and name HN  ))
   (  segid "LIM1" and resid 17   and name HG1%)
      4.800     2.900     1.200 peak    85 spectrum    1 weight  0.11000E+01 volume  0.37251E-03 ppm1      7.159 ppm2      0.445 CV     1
 ASSI {   86}
   (( segid "LIM1" and resid 23   and name HN  ))
   (( segid "LIM1" and resid 22   and name HN  ))
      4.300     2.300     1.700 peak    86 spectrum    1 weight  0.11000E+01 volume  0.67743E-03 ppm1      8.973 ppm2      7.166 CV     1
 ASSI {   87}
   (( segid "LIM1" and resid 22   and name HN  ))
   (  segid "LIM1" and resid 17   and name HG2%)
      5.200     5.200     0.800 peak    87 spectrum    1 weight  0.11000E+01 volume  0.28205E-03 ppm1      7.175 ppm2      0.164 CV     1
 ASSI {   88}
   (( segid "LIM1" and resid 61   and name HN  ))
   (( segid "LIM1" and resid 60   and name HN  ))
      2.600     0.800     0.800 peak    88 spectrum    1 weight  0.11000E+01 volume  0.34186E-02 ppm1      8.957 ppm2      7.841 CV     1
 ASSI {   89}
   (( segid "LIM1" and resid 23   and name HN  ))
   (( segid "LIM1" and resid 22   and name HA  ))
      2.100     0.600     0.600 peak    89 spectrum    1 weight  0.11000E+01 volume  0.85826E-02 ppm1      8.977 ppm2      4.330 CV     1
 ASSI {   90}
   (( segid "LIM1" and resid 61   and name HN  ))
   (( segid "LIM1" and resid 61   and name HA  ))
      2.700     0.900     0.900 peak    90 spectrum    1 weight  0.11000E+01 volume  0.40991E-02 ppm1      8.960 ppm2      3.758 CV     1
 ASSI {   91}
   (( segid "LIM1" and resid 61   and name HN  ))
   (( segid "LIM1" and resid 61   and name HB1 ))
      3.500     1.500     1.500 peak    91 spectrum    1 weight  0.11000E+01 volume  0.32105E-02 ppm1      8.960 ppm2      3.177 CV     1
 ASSI {   92}
   (( segid "LIM1" and resid 61   and name HN  ))
   (( segid "LIM1" and resid 61   and name HB2 ))
      2.600     0.800     0.800 peak    92 spectrum    1 weight  0.11000E+01 volume  0.24026E-02 ppm1      8.961 ppm2      2.842 CV     1
 ASSI {   94}
   (( segid "LIM1" and resid 23   and name HN  ))
   (( segid "LIM1" and resid 22   and name HG1 ))
      2.900     1.100     1.100 peak    94 spectrum    1 weight  0.11000E+01 volume  0.18876E-02 ppm1      8.976 ppm2      2.002 CV     1
 ASSI {   95}
   (( segid "LIM1" and resid 23   and name HN  ))
   (( segid "LIM1" and resid 22   and name HG2 ))
      2.700     0.900     0.900 peak    95 spectrum    1 weight  0.11000E+01 volume  0.25228E-02 ppm1      8.975 ppm2      1.784 CV     1
 ASSI {   96}
   (( segid "LIM1" and resid 23   and name HN  ))
   (( segid "LIM1" and resid 23   and name HB  ))
      2.700     0.900     0.900 peak    96 spectrum    1 weight  0.11000E+01 volume  0.26859E-02 ppm1      8.976 ppm2      1.215 CV     1
 ASSI {   97}
   (( segid "LIM1" and resid 61   and name HN  ))
   (  segid "LIM1" and resid 60   and name HG2%)
      3.800     1.800     1.800 peak    97 spectrum    1 weight  0.11000E+01 volume  0.14559E-02 ppm1      8.957 ppm2      0.894 CV     1
 ASSI {   98}
   (( segid "LIM1" and resid 23   and name HN  ))
   (  segid "LIM1" and resid 23   and name HG2%)
      3.700     1.700     1.700 peak    98 spectrum    1 weight  0.11000E+01 volume  0.13238E-02 ppm1      8.977 ppm2     -0.030 CV     1
 ASSI {   99}
   (( segid "LIM1" and resid 24   and name HE21))
   (( segid "LIM1" and resid 24   and name HE22))
      1.600     0.300     0.600 peak    99 spectrum    1 weight  0.11000E+01 volume  0.31250E-01 ppm1      7.312 ppm2      6.582 CV     1
 ASSI {  100}
   (( segid "LIM1" and resid 24   and name HE21))
   (( segid "LIM1" and resid 24   and name HG1 ))
      3.000     1.200     1.200 peak   100 spectrum    1 weight  0.11000E+01 volume  0.19656E-02 ppm1      7.314 ppm2      2.094 CV     1
 ASSI {  101}
   (( segid "LIM1" and resid 24   and name HE21))
   (( segid "LIM1" and resid 24   and name HB1 ))
      3.400     1.400     1.400 peak   101 spectrum    1 weight  0.11000E+01 volume  0.82956E-03 ppm1      7.311 ppm2      1.851 CV     1
 ASSI {  103}
   (( segid "LIM1" and resid 24   and name HE22))
   (( segid "LIM1" and resid 24   and name HG1 ))
      4.500     2.500     1.500 peak   103 spectrum    1 weight  0.11000E+01 volume  0.50713E-03 ppm1      6.589 ppm2      2.072 CV     1
 ASSI {  104}
   (( segid "LIM1" and resid 24   and name HN  ))
   (( segid "LIM1" and resid 24   and name HA  ))
      3.000     1.100     1.100 peak   104 spectrum    1 weight  0.11000E+01 volume  0.16403E-02 ppm1      8.438 ppm2      5.211 CV     1
 ASSI {  105}
   (( segid "LIM1" and resid 24   and name HN  ))
   (( segid "LIM1" and resid 23   and name HA  ))
      2.100     0.600     0.600 peak   105 spectrum    1 weight  0.11000E+01 volume  0.98754E-02 ppm1      8.441 ppm2      4.157 CV     1
 ASSI {  106}
   (( segid "LIM1" and resid 24   and name HN  ))
   (( segid "LIM1" and resid 24   and name HG2 ))
      3.800     1.800     1.800 peak   106 spectrum    1 weight  0.11000E+01 volume  0.18663E-02 ppm1      8.443 ppm2      2.024 CV     1
 ASSI {  108}
   (( segid "LIM1" and resid 24   and name HN  ))
   (( segid "LIM1" and resid 23   and name HB  ))
      3.700     1.700     1.700 peak   108 spectrum    1 weight  0.11000E+01 volume  0.16306E-02 ppm1      8.442 ppm2      1.215 CV     1
 ASSI {  109}
   (( segid "LIM1" and resid 24   and name HN  ))
   (( segid "LIM1" and resid 23   and name HG12))
      4.400     2.400     1.600 peak   109 spectrum    1 weight  0.11000E+01 volume  0.73876E-03 ppm1      8.444 ppm2      0.729 CV     1
 ASSI {  110}
   (( segid "LIM1" and resid 24   and name HN  ))
   (  segid "LIM1" and resid 23   and name HG2%)
      3.100     1.200     1.200 peak   110 spectrum    1 weight  0.11000E+01 volume  0.19064E-02 ppm1      8.440 ppm2     -0.035 CV     1
 ASSI {  111}
   (( segid "LIM1" and resid 24   and name HN  ))
   (( segid "LIM1" and resid 25   and name HN  ))
      4.300     2.300     1.700 peak   111 spectrum    1 weight  0.11000E+01 volume  0.52591E-03 ppm1      8.444 ppm2      9.051 CV     1
 ASSI {  114}
   (( segid "LIM1" and resid 25   and name HN  ))
   (( segid "LIM1" and resid 24   and name HA  ))
      2.200     0.600     0.600 peak   114 spectrum    1 weight  0.11000E+01 volume  0.83548E-02 ppm1      9.078 ppm2      5.209 CV     1
 ASSI {  115}
   (( segid "LIM1" and resid 25   and name HN  ))
   (( segid "LIM1" and resid 26   and name HA  ))
      3.700     3.700     2.300 peak   115 spectrum    1 weight  0.11000E+01 volume  0.18667E-02 ppm1      9.079 ppm2      4.451 CV     1
 ASSI {  116}
   (( segid "LIM1" and resid 25   and name HN  ))
   (( segid "LIM1" and resid 25   and name HB1 ))
      3.200     1.300     1.300 peak   116 spectrum    1 weight  0.11000E+01 volume  0.91908E-03 ppm1      9.082 ppm2      2.802 CV     1
 ASSI {  117}
   (( segid "LIM1" and resid 25   and name HN  ))
   (( segid "LIM1" and resid 25   and name HB2 ))
      3.200     1.300     1.300 peak   117 spectrum    1 weight  0.11000E+01 volume  0.14838E-02 ppm1      9.081 ppm2      2.596 CV     1
 ASSI {  118}
   (( segid "LIM1" and resid 25   and name HN  ))
   (( segid "LIM1" and resid 24   and name HG2 ))
      4.500     2.500     1.500 peak   118 spectrum    1 weight  0.11000E+01 volume  0.92096E-03 ppm1      9.083 ppm2      2.042 CV     1
 ASSI {  119}
   (( segid "LIM1" and resid 25   and name HN  ))
   (( segid "LIM1" and resid 24   and name HB1 ))
      3.400     1.400     1.400 peak   119 spectrum    1 weight  0.11000E+01 volume  0.18948E-02 ppm1      9.080 ppm2      1.855 CV     1
 ASSI {  120}
   (( segid "LIM1" and resid 28   and name HN  ))
   (( segid "LIM1" and resid 25   and name HN  ))
      2.900     1.000     1.000 peak   120 spectrum    1 weight  0.11000E+01 volume  0.23509E-02 ppm1      7.893 ppm2      9.070 CV     1
 ASSI {  121}
   (( segid "LIM1" and resid 26   and name HD21))
   (  segid "LIM1" and resid 51   and name HB% )
      3.600     1.600     1.600 peak   121 spectrum    1 weight  0.11000E+01 volume  0.90531E-03 ppm1      7.806 ppm2      1.308 CV     1
 ASSI {  122}
   (( segid "LIM1" and resid 26   and name HD21))
   (( segid "LIM1" and resid 26   and name HB2 ))
      3.200     1.200     1.200 peak   122 spectrum    1 weight  0.11000E+01 volume  0.12747E-02 ppm1      7.809 ppm2      2.568 CV     1
 ASSI {  123}
   (( segid "LIM1" and resid 26   and name HD21))
   (( segid "LIM1" and resid 26   and name HB1 ))
      2.900     1.100     1.100 peak   123 spectrum    1 weight  0.11000E+01 volume  0.19881E-02 ppm1      7.807 ppm2      3.240 CV     1
 ASSI {  124}
   (( segid "LIM1" and resid 26   and name HD21))
   (( segid "LIM1" and resid 27   and name HA2 ))
      3.600     1.600     1.600 peak   124 spectrum    1 weight  0.11000E+01 volume  0.94664E-03 ppm1      7.803 ppm2      3.579 CV     1
 ASSI {  125}
   (( segid "LIM1" and resid 26   and name HD21))
   (( segid "LIM1" and resid 26   and name HA  ))
      4.000     2.000     2.000 peak   125 spectrum    1 weight  0.11000E+01 volume  0.59228E-03 ppm1      7.796 ppm2      4.479 CV     1
 ASSI {  128}
   (( segid "LIM1" and resid 26   and name HD22))
   (( segid "LIM1" and resid 26   and name HD21))
      1.900     0.400     0.400 peak   128 spectrum    1 weight  0.11000E+01 volume  0.13482E-01 ppm1      6.917 ppm2      7.808 CV     1
 ASSI {  129}
   (( segid "LIM1" and resid 26   and name HD21))
   (( segid "LIM1" and resid 55   and name HN  ))
      4.000     2.000     2.000 peak   129 spectrum    1 weight  0.11000E+01 volume  0.62921E-03 ppm1      7.826 ppm2      8.702 CV     1
 ASSI {  130}
   (( segid "LIM1" and resid 53   and name HN  ))
   (( segid "LIM1" and resid 26   and name HD22))
      3.800     1.800     1.800 peak   130 spectrum    1 weight  0.11000E+01 volume  0.55720E-03 ppm1      8.939 ppm2      6.918 CV     1
 ASSI {  132}
   (( segid "LIM1" and resid 53   and name HN  ))
   (( segid "LIM1" and resid 26   and name HD21))
      4.100     2.100     1.900 peak   132 spectrum    1 weight  0.11000E+01 volume  0.52715E-03 ppm1      8.932 ppm2      7.818 CV     1
 ASSI {  133}
   (( segid "LIM1" and resid 26   and name HD22))
   (( segid "LIM1" and resid 27   and name HA2 ))
      3.000     3.000     3.000 peak   133 spectrum    1 weight  0.11000E+01 volume  0.48928E-03 ppm1      6.923 ppm2      3.584 CV     1
 ASSI {  134}
   (( segid "LIM1" and resid 26   and name HD22))
   (( segid "LIM1" and resid 26   and name HB1 ))
      4.500     2.500     1.500 peak   134 spectrum    1 weight  0.11000E+01 volume  0.61231E-03 ppm1      6.912 ppm2      3.231 CV     1
 ASSI {  135}
   (( segid "LIM1" and resid 26   and name HD22))
   (  segid "LIM1" and resid 51   and name HB% )
      4.100     2.100     1.900 peak   135 spectrum    1 weight  0.11000E+01 volume  0.41166E-03 ppm1      6.913 ppm2      1.300 CV     1
 ASSI {  136}
   (( segid "LIM1" and resid 26   and name HD22))
   (( segid "LIM1" and resid 26   and name HB2 ))
      5.000     3.100     1.000 peak   136 spectrum    1 weight  0.11000E+01 volume  0.31867E-03 ppm1      6.923 ppm2      2.552 CV     1
 ASSI {  138}
   (( segid "LIM1" and resid 27   and name HN  ))
   (( segid "LIM1" and resid 26   and name HA  ))
      2.900     1.000     1.000 peak   138 spectrum    1 weight  0.11000E+01 volume  0.29044E-02 ppm1      8.819 ppm2      4.466 CV     1
 ASSI {  139}
   (( segid "LIM1" and resid 27   and name HN  ))
   (( segid "LIM1" and resid 27   and name HA1 ))
      3.100     1.200     1.200 peak   139 spectrum    1 weight  0.11000E+01 volume  0.21265E-02 ppm1      8.821 ppm2      4.107 CV     1
 ASSI {  140}
   (( segid "LIM1" and resid 27   and name HN  ))
   (( segid "LIM1" and resid 27   and name HA2 ))
      2.800     1.000     1.000 peak   140 spectrum    1 weight  0.11000E+01 volume  0.34633E-02 ppm1      8.819 ppm2      3.587 CV     1
 ASSI {  141}
   (( segid "LIM1" and resid 27   and name HN  ))
   (( segid "LIM1" and resid 28   and name HB1 ))
      5.000     3.100     1.000 peak   141 spectrum    1 weight  0.11000E+01 volume  0.35937E-03 ppm1      8.814 ppm2      1.875 CV     1
 ASSI {  142}
   (( segid "LIM1" and resid 28   and name HN  ))
   (( segid "LIM1" and resid 28   and name HA  ))
      2.800     1.000     1.000 peak   142 spectrum    1 weight  0.11000E+01 volume  0.27742E-02 ppm1      7.894 ppm2      4.499 CV     1
 ASSI {  143}
   (( segid "LIM1" and resid 28   and name HN  ))
   (( segid "LIM1" and resid 28   and name HB1 ))
      3.200     1.300     1.300 peak   143 spectrum    1 weight  0.11000E+01 volume  0.37452E-02 ppm1      7.876 ppm2      1.882 CV     1
 ASSI {  144}
   (( segid "LIM1" and resid 28   and name HN  ))
   (( segid "LIM1" and resid 27   and name HA1 ))
      3.400     1.400     1.400 peak   144 spectrum    1 weight  0.11000E+01 volume  0.90561E-03 ppm1      7.878 ppm2      4.106 CV     1
 ASSI {  145}
   (( segid "LIM1" and resid 60   and name HN  ))
   (( segid "LIM1" and resid 58   and name HB2 ))
      3.200     1.300     1.300 peak   145 spectrum    1 weight  0.11000E+01 volume  0.80547E-03 ppm1      7.863 ppm2      2.804 CV     1
 ASSI {  146}
   (( segid "LIM1" and resid 28   and name HN  ))
   (( segid "LIM1" and resid 27   and name HA2 ))
      3.600     1.600     1.600 peak   146 spectrum    1 weight  0.11000E+01 volume  0.14538E-02 ppm1      7.882 ppm2      3.584 CV     1
 ASSI {  147}
   (( segid "LIM1" and resid 60   and name HN  ))
   (( segid "LIM1" and resid 59   and name HA  ))
      2.700     0.900     0.900 peak   147 spectrum    1 weight  0.11000E+01 volume  0.37025E-02 ppm1      7.847 ppm2      3.753 CV     1
 ASSI {  149}
   (( segid "LIM1" and resid 60   and name HN  ))
   (  segid "LIM1" and resid 60   and name HG1%)
      3.200     1.300     1.300 peak   149 spectrum    1 weight  0.11000E+01 volume  0.46082E-02 ppm1      7.852 ppm2      1.071 CV     1
 ASSI {  150}
   (( segid "LIM1" and resid 60   and name HN  ))
   (  segid "LIM1" and resid 60   and name HG2%)
      3.000     3.000     3.000 peak   150 spectrum    1 weight  0.11000E+01 volume  0.16319E-02 ppm1      7.851 ppm2      0.908 CV     1
 ASSI {  151}
   (( segid "LIM1" and resid 28   and name HN  ))
   (( segid "LIM1" and resid 27   and name HN  ))
      2.900     1.100     1.100 peak   151 spectrum    1 weight  0.11000E+01 volume  0.26273E-02 ppm1      7.892 ppm2      8.813 CV     1
 ASSI {  152}
   (( segid "LIM1" and resid 29   and name HN  ))
   (( segid "LIM1" and resid 29   and name HA  ))
      3.100     1.200     1.200 peak   152 spectrum    1 weight  0.11000E+01 volume  0.12615E-02 ppm1      8.492 ppm2      4.865 CV     1
 ASSI {  153}
   (( segid "LIM1" and resid 29   and name HN  ))
   (( segid "LIM1" and resid 28   and name HA  ))
      2.400     0.700     0.700 peak   153 spectrum    1 weight  0.11000E+01 volume  0.65529E-02 ppm1      8.496 ppm2      4.506 CV     1
 ASSI {  154}
   (( segid "LIM1" and resid 29   and name HN  ))
   (( segid "LIM1" and resid 29   and name HB1 ))
      3.700     1.700     1.700 peak   154 spectrum    1 weight  0.11000E+01 volume  0.16898E-02 ppm1      8.498 ppm2      3.381 CV     1
 ASSI {  155}
   (( segid "LIM1" and resid 29   and name HN  ))
   (( segid "LIM1" and resid 29   and name HB2 ))
      2.500     0.800     0.800 peak   155 spectrum    1 weight  0.11000E+01 volume  0.43091E-02 ppm1      8.494 ppm2      3.163 CV     1
 ASSI {  156}
   (( segid "LIM1" and resid 29   and name HN  ))
   (( segid "LIM1" and resid 28   and name HB1 ))
      2.900     1.100     1.100 peak   156 spectrum    1 weight  0.11000E+01 volume  0.16319E-02 ppm1      8.495 ppm2      1.880 CV     1
 ASSI {  157}
   (( segid "LIM1" and resid 29   and name HN  ))
   (( segid "LIM1" and resid 28   and name HB2 ))
      3.100     1.200     1.200 peak   157 spectrum    1 weight  0.11000E+01 volume  0.46707E-02 ppm1      8.495 ppm2      1.608 CV     1
 ASSI {  158}
   (( segid "LIM1" and resid 30   and name HN  ))
   (  segid "LIM1" and resid 30   and name HD% )
      3.000     1.200     1.200 peak   158 spectrum    1 weight  0.11000E+01 volume  0.19931E-02 ppm1      8.857 ppm2      7.123 CV     1
 ASSI {  159}
   (( segid "LIM1" and resid 30   and name HN  ))
   (( segid "LIM1" and resid 30   and name HA  ))
      3.100     1.200     1.200 peak   159 spectrum    1 weight  0.11000E+01 volume  0.11968E-02 ppm1      8.861 ppm2      5.700 CV     1
 ASSI {  160}
   (( segid "LIM1" and resid 30   and name HN  ))
   (( segid "LIM1" and resid 24   and name HA  ))
      4.000     2.000     2.000 peak   160 spectrum    1 weight  0.11000E+01 volume  0.72999E-03 ppm1      8.858 ppm2      5.208 CV     1
 ASSI {  161}
   (( segid "LIM1" and resid 30   and name HN  ))
   (( segid "LIM1" and resid 29   and name HA  ))
      2.400     0.700     0.700 peak   161 spectrum    1 weight  0.11000E+01 volume  0.42547E-02 ppm1      8.847 ppm2      4.842 CV     1
 ASSI {  162}
   (( segid "LIM1" and resid 30   and name HN  ))
   (( segid "LIM1" and resid 29   and name HB1 ))
      3.100     1.200     1.200 peak   162 spectrum    1 weight  0.11000E+01 volume  0.14415E-02 ppm1      8.864 ppm2      3.375 CV     1
 ASSI {  163}
   (( segid "LIM1" and resid 30   and name HN  ))
   (( segid "LIM1" and resid 30   and name HB1 ))
      3.800     1.800     1.800 peak   163 spectrum    1 weight  0.11000E+01 volume  0.11770E-02 ppm1      8.856 ppm2      3.064 CV     1
 ASSI {  164}
   (( segid "LIM1" and resid 30   and name HN  ))
   (( segid "LIM1" and resid 30   and name HB2 ))
      2.700     0.900     0.900 peak   164 spectrum    1 weight  0.11000E+01 volume  0.20401E-02 ppm1      8.861 ppm2      2.514 CV     1
 ASSI {  165}
   (( segid "LIM1" and resid 30   and name HN  ))
   (( segid "LIM1" and resid 22   and name HG1 ))
      3.800     1.800     1.800 peak   165 spectrum    1 weight  0.11000E+01 volume  0.69807E-03 ppm1      8.856 ppm2      2.003 CV     1
 ASSI {  166}
   (( segid "LIM1" and resid 30   and name HN  ))
   (( segid "LIM1" and resid 24   and name HB1 ))
      2.700     2.700     3.300 peak   166 spectrum    1 weight  0.11000E+01 volume  0.85991E-03 ppm1      8.860 ppm2      1.792 CV     1
 ASSI {  167}
   (( segid "LIM1" and resid 30   and name HN  ))
   (( segid "LIM1" and resid 23   and name HB  ))
      3.800     1.800     1.800 peak   167 spectrum    1 weight  0.11000E+01 volume  0.45830E-03 ppm1      8.860 ppm2      1.212 CV     1
 ASSI {  168}
   (( segid "LIM1" and resid 30   and name HN  ))
   (  segid "LIM1" and resid 23   and name HD1%)
      4.800     4.800     1.200 peak   168 spectrum    1 weight  0.11000E+01 volume  0.39536E-03 ppm1      8.870 ppm2      0.443 CV     1
 ASSI {  169}
   (( segid "LIM1" and resid 30   and name HN  ))
   (  segid "LIM1" and resid 23   and name HG2%)
      4.200     2.200     1.800 peak   169 spectrum    1 weight  0.11000E+01 volume  0.38286E-03 ppm1      8.866 ppm2     -0.034 CV     1
 ASSI {  170}
   (( segid "LIM1" and resid 31   and name HN  ))
   (( segid "LIM1" and resid 30   and name HA  ))
      2.300     0.700     0.700 peak   170 spectrum    1 weight  0.11000E+01 volume  0.52699E-02 ppm1      8.558 ppm2      5.697 CV     1
 ASSI {  171}
   (( segid "LIM1" and resid 31   and name HN  ))
   (( segid "LIM1" and resid 31   and name HA  ))
      3.300     1.300     1.300 peak   171 spectrum    1 weight  0.11000E+01 volume  0.90030E-03 ppm1      8.555 ppm2      4.666 CV     1
 ASSI {  172}
   (( segid "LIM1" and resid 31   and name HN  ))
   (( segid "LIM1" and resid 31   and name HB1 ))
      3.500     1.500     1.500 peak   172 spectrum    1 weight  0.11000E+01 volume  0.24514E-02 ppm1      8.558 ppm2      3.582 CV     1
 ASSI {  173}
   (( segid "LIM1" and resid 31   and name HN  ))
   (( segid "LIM1" and resid 34   and name HB2 ))
      3.100     1.200     1.200 peak   173 spectrum    1 weight  0.11000E+01 volume  0.16879E-02 ppm1      8.562 ppm2      3.165 CV     1
 ASSI {  174}
   (( segid "LIM1" and resid 31   and name HN  ))
   (( segid "LIM1" and resid 30   and name HB2 ))
      4.200     2.200     1.800 peak   174 spectrum    1 weight  0.11000E+01 volume  0.72844E-03 ppm1      8.570 ppm2      2.504 CV     1
 ASSI {  175}
   (( segid "LIM1" and resid 31   and name HN  ))
   (( segid "LIM1" and resid 10   and name HB2 ))
      3.800     1.800     1.800 peak   175 spectrum    1 weight  0.11000E+01 volume  0.54846E-03 ppm1      8.567 ppm2      2.309 CV     1
 ASSI {  176}
   (( segid "LIM1" and resid 31   and name HN  ))
   (  segid "LIM1" and resid 17   and name HG2%)
      3.300     1.300     1.300 peak   176 spectrum    1 weight  0.11000E+01 volume  0.11861E-02 ppm1      8.560 ppm2      0.153 CV     1
 ASSI {  177}
   (( segid "LIM1" and resid 31   and name HN  ))
   (  segid "LIM1" and resid 17   and name HG1%)
      4.100     2.100     1.900 peak   177 spectrum    1 weight  0.11000E+01 volume  0.46737E-03 ppm1      8.569 ppm2      0.448 CV     1
 ASSI {  179}
   (( segid "LIM1" and resid 32   and name HN  ))
   (( segid "LIM1" and resid 31   and name HA  ))
      2.400     0.700     0.700 peak   179 spectrum    1 weight  0.11000E+01 volume  0.42728E-02 ppm1      9.291 ppm2      4.675 CV     1
 ASSI {  180}
   (( segid "LIM1" and resid 32   and name HN  ))
   (( segid "LIM1" and resid 33   and name HA  ))
      4.600     2.600     1.400 peak   180 spectrum    1 weight  0.11000E+01 volume  0.44922E-03 ppm1      9.299 ppm2      4.343 CV     1
 ASSI {  181}
   (( segid "LIM1" and resid 32   and name HN  ))
   (( segid "LIM1" and resid 32   and name HA  ))
      2.700     0.900     0.900 peak   181 spectrum    1 weight  0.11000E+01 volume  0.25243E-02 ppm1      9.292 ppm2      3.999 CV     1
 ASSI {  182}
   (( segid "LIM1" and resid 32   and name HN  ))
   (( segid "LIM1" and resid 31   and name HB1 ))
      3.300     1.300     1.300 peak   182 spectrum    1 weight  0.11000E+01 volume  0.12353E-02 ppm1      9.291 ppm2      3.597 CV     1
 ASSI {  183}
   (( segid "LIM1" and resid 32   and name HN  ))
   (( segid "LIM1" and resid 21   and name HB1 ))
      4.700     2.800     1.300 peak   183 spectrum    1 weight  0.11000E+01 volume  0.83863E-03 ppm1      9.290 ppm2      2.511 CV     1
 ASSI {  184}
   (( segid "LIM1" and resid 32   and name HN  ))
   (( segid "LIM1" and resid 21   and name HB2 ))
      3.300     1.400     1.400 peak   184 spectrum    1 weight  0.11000E+01 volume  0.65018E-03 ppm1      9.297 ppm2      2.302 CV     1
 ASSI {  185}
   (( segid "LIM1" and resid 32   and name HN  ))
   (( segid "LIM1" and resid 32   and name HB2 ))
      2.500     0.800     0.800 peak   185 spectrum    1 weight  0.11000E+01 volume  0.28289E-02 ppm1      9.291 ppm2      1.928 CV     1
 ASSI {  186}
   (( segid "LIM1" and resid 32   and name HN  ))
   (( segid "LIM1" and resid 32   and name HD1 ))
      4.600     2.600     1.400 peak   186 spectrum    1 weight  0.11000E+01 volume  0.73876E-03 ppm1      9.291 ppm2      1.749 CV     1
 ASSI {  187}
   (( segid "LIM1" and resid 32   and name HN  ))
   (( segid "LIM1" and resid 32   and name HG1 ))
      3.500     1.500     1.500 peak   187 spectrum    1 weight  0.11000E+01 volume  0.19800E-02 ppm1      9.289 ppm2      1.440 CV     1
 ASSI {  188}
   (( segid "LIM1" and resid 33   and name HN  ))
   (( segid "LIM1" and resid 32   and name HN  ))
      3.300     1.400     1.400 peak   188 spectrum    1 weight  0.11000E+01 volume  0.70059E-03 ppm1      8.206 ppm2      9.284 CV     1
 ASSI {  189}
   (( segid "LIM1" and resid 33   and name HN  ))
   (( segid "LIM1" and resid 33   and name HA  ))
      3.300     1.400     1.400 peak   189 spectrum    1 weight  0.11000E+01 volume  0.99046E-03 ppm1      8.216 ppm2      4.335 CV     1
 ASSI {  190}
   (( segid "LIM1" and resid 33   and name HN  ))
   (( segid "LIM1" and resid 31   and name HB1 ))
      3.400     1.400     1.400 peak   190 spectrum    1 weight  0.11000E+01 volume  0.74535E-03 ppm1      8.188 ppm2      3.609 CV     1
 ASSI {  191}
   (( segid "LIM1" and resid 34   and name HN  ))
   (( segid "LIM1" and resid 31   and name HN  ))
      5.000     3.100     1.000 peak   191 spectrum    1 weight  0.11000E+01 volume  0.64611E-03 ppm1      7.633 ppm2      8.571 CV     1
 ASSI {  193}
   (( segid "LIM1" and resid 34   and name HN  ))
   (( segid "LIM1" and resid 33   and name HB  ))
      2.900     1.100     1.100 peak   193 spectrum    1 weight  0.11000E+01 volume  0.18604E-02 ppm1      7.618 ppm2      4.476 CV     1
 ASSI {  194}
   (( segid "LIM1" and resid 34   and name HN  ))
   (( segid "LIM1" and resid 31   and name HB1 ))
      2.200     0.600     0.600 peak   194 spectrum    1 weight  0.11000E+01 volume  0.37590E-02 ppm1      7.619 ppm2      3.583 CV     1
 ASSI {  195}
   (( segid "LIM1" and resid 34   and name HN  ))
   (( segid "LIM1" and resid 34   and name HB2 ))
      2.800     1.000     1.000 peak   195 spectrum    1 weight  0.11000E+01 volume  0.20057E-02 ppm1      7.619 ppm2      3.175 CV     1
 ASSI {  196}
   (( segid "LIM1" and resid 34   and name HN  ))
   (( segid "LIM1" and resid 35   and name HB2 ))
      4.600     2.600     1.400 peak   196 spectrum    1 weight  0.11000E+01 volume  0.35530E-03 ppm1      7.614 ppm2      2.654 CV     1
 ASSI {  198}
   (( segid "LIM1" and resid 35   and name HN  ))
   (  segid "LIM1" and resid 35   and name HD% )
      4.200     2.200     1.800 peak   198 spectrum    1 weight  0.11000E+01 volume  0.14218E-02 ppm1      7.531 ppm2      6.577 CV     1
 ASSI {  199}
   (( segid "LIM1" and resid 35   and name HN  ))
   (( segid "LIM1" and resid 34   and name HA  ))
      3.300     1.300     1.300 peak   199 spectrum    1 weight  0.11000E+01 volume  0.11833E-02 ppm1      7.530 ppm2      4.466 CV     1
 ASSI {  200}
   (( segid "LIM1" and resid 35   and name HN  ))
   (( segid "LIM1" and resid 35   and name HA  ))
      3.000     1.100     1.100 peak   200 spectrum    1 weight  0.11000E+01 volume  0.19865E-02 ppm1      7.530 ppm2      4.198 CV     1
 ASSI {  201}
   (( segid "LIM1" and resid 35   and name HN  ))
   (( segid "LIM1" and resid 35   and name HB1 ))
      2.600     0.800     0.800 peak   201 spectrum    1 weight  0.11000E+01 volume  0.26211E-02 ppm1      7.529 ppm2      3.361 CV     1
 ASSI {  202}
   (( segid "LIM1" and resid 35   and name HN  ))
   (( segid "LIM1" and resid 35   and name HB2 ))
      2.800     1.000     1.000 peak   202 spectrum    1 weight  0.11000E+01 volume  0.29704E-02 ppm1      7.530 ppm2      2.637 CV     1
 ASSI {  203}
   (( segid "LIM1" and resid 35   and name HN  ))
   (( segid "LIM1" and resid 23   and name HB  ))
      5.300     3.500     0.700 peak   203 spectrum    1 weight  0.11000E+01 volume  0.20817E-03 ppm1      7.536 ppm2      1.200 CV     1
 ASSI {  205}
   (( segid "LIM1" and resid 36   and name HN  ))
   (( segid "LIM1" and resid 36   and name HD2 ))
      3.400     1.400     1.400 peak   205 spectrum    1 weight  0.11000E+01 volume  0.11392E-02 ppm1      7.330 ppm2      6.556 CV     1
 ASSI {  206}
   (( segid "LIM1" and resid 36   and name HN  ))
   (( segid "LIM1" and resid 36   and name HA  ))
      2.800     1.000     1.000 peak   206 spectrum    1 weight  0.11000E+01 volume  0.15198E-02 ppm1      7.343 ppm2      4.791 CV     1
 ASSI {  207}
   (( segid "LIM1" and resid 36   and name HN  ))
   (( segid "LIM1" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   207 spectrum    1 weight  0.11000E+01 volume  0.75207E-02 ppm1      7.344 ppm2      4.197 CV     1
 ASSI {  208}
   (( segid "LIM1" and resid 36   and name HN  ))
   (( segid "LIM1" and resid 43   and name HA  ))
      5.200     3.400     0.800 peak   208 spectrum    1 weight  0.11000E+01 volume  0.23572E-03 ppm1      7.330 ppm2      3.644 CV     1
 ASSI {  209}
   (( segid "LIM1" and resid 36   and name HN  ))
   (( segid "LIM1" and resid 35   and name HB1 ))
      4.200     2.200     1.800 peak   209 spectrum    1 weight  0.11000E+01 volume  0.33527E-03 ppm1      7.337 ppm2      3.353 CV     1
 ASSI {  210}
   (( segid "LIM1" and resid 36   and name HN  ))
   (( segid "LIM1" and resid 36   and name HB1 ))
      2.900     1.000     1.000 peak   210 spectrum    1 weight  0.11000E+01 volume  0.18463E-02 ppm1      7.345 ppm2      2.517 CV     1
 ASSI {  211}
   (( segid "LIM1" and resid 49   and name HN  ))
   (  segid "LIM1" and resid 56   and name HD1%)
      3.700     3.700     2.300 peak   211 spectrum    1 weight  0.11000E+01 volume  0.23055E-02 ppm1      7.348 ppm2     -0.050 CV     1
 ASSI {  212}
   (( segid "LIM1" and resid 37   and name HN  ))
   (( segid "LIM1" and resid 36   and name HN  ))
      3.900     1.900     1.900 peak   212 spectrum    1 weight  0.11000E+01 volume  0.40258E-03 ppm1      8.796 ppm2      7.342 CV     1
 ASSI {  214}
   (( segid "LIM1" and resid 37   and name HN  ))
   (( segid "LIM1" and resid 41   and name HN  ))
      4.000     2.000     2.000 peak   214 spectrum    1 weight  0.11000E+01 volume  0.46331E-03 ppm1      8.799 ppm2      7.852 CV     1
 ASSI {  216}
   (( segid "LIM1" and resid 37   and name HN  ))
   (( segid "LIM1" and resid 36   and name HA  ))
      2.700     0.900     0.900 peak   216 spectrum    1 weight  0.11000E+01 volume  0.39079E-02 ppm1      8.805 ppm2      4.790 CV     1
 ASSI {  217}
   (( segid "LIM1" and resid 37   and name HN  ))
   (( segid "LIM1" and resid 42   and name HA  ))
      4.300     2.300     1.700 peak   217 spectrum    1 weight  0.11000E+01 volume  0.38941E-03 ppm1      8.815 ppm2      4.145 CV     1
 ASSI {  218}
   (( segid "LIM1" and resid 37   and name HN  ))
   (( segid "LIM1" and resid 37   and name HA  ))
      2.900     1.000     1.000 peak   218 spectrum    1 weight  0.11000E+01 volume  0.11576E-02 ppm1      8.803 ppm2      3.811 CV     1
 ASSI {  219}
   (( segid "LIM1" and resid 37   and name HN  ))
   (( segid "LIM1" and resid 37   and name HB1 ))
      2.400     0.700     0.700 peak   219 spectrum    1 weight  0.11000E+01 volume  0.28950E-02 ppm1      8.806 ppm2      3.374 CV     1
 ASSI {  220}
   (( segid "LIM1" and resid 37   and name HN  ))
   (( segid "LIM1" and resid 37   and name HB2 ))
      3.000     1.100     1.100 peak   220 spectrum    1 weight  0.11000E+01 volume  0.24786E-02 ppm1      8.805 ppm2      2.811 CV     1
 ASSI {  221}
   (( segid "LIM1" and resid 37   and name HN  ))
   (( segid "LIM1" and resid 36   and name HB1 ))
      3.400     3.400     2.600 peak   221 spectrum    1 weight  0.11000E+01 volume  0.19590E-02 ppm1      8.801 ppm2      2.512 CV     1
 ASSI {  222}
   (( segid "LIM1" and resid 37   and name HN  ))
   (  segid "LIM1" and resid 44   and name HD2%)
      3.700     1.700     1.700 peak   222 spectrum    1 weight  0.11000E+01 volume  0.13298E-02 ppm1      8.805 ppm2      1.327 CV     1
 ASSI {  223}
   (( segid "LIM1" and resid 37   and name HN  ))
   (  segid "LIM1" and resid 44   and name HD1%)
      4.700     4.700     1.300 peak   223 spectrum    1 weight  0.11000E+01 volume  0.63297E-03 ppm1      8.804 ppm2      0.478 CV     1
 ASSI {  226}
   (( segid "LIM1" and resid 41   and name HN  ))
   (( segid "LIM1" and resid 40   and name HN  ))
      2.300     0.700     0.700 peak   226 spectrum    1 weight  0.11000E+01 volume  0.57554E-02 ppm1      7.861 ppm2      8.842 CV     1
 ASSI {  227}
   (( segid "LIM1" and resid 44   and name HN  ))
   (( segid "LIM1" and resid 37   and name HN  ))
      4.200     2.200     1.800 peak   227 spectrum    1 weight  0.11000E+01 volume  0.78887E-03 ppm1      7.653 ppm2      8.787 CV     1
 ASSI {  228}
   (( segid "LIM1" and resid 38   and name HN  ))
   (  segid "LIM1" and resid 57   and name HD% )
      4.000     2.000     2.000 peak   228 spectrum    1 weight  0.11000E+01 volume  0.36908E-03 ppm1      9.055 ppm2      7.242 CV     1
 ASSI {  229}
   (( segid "LIM1" and resid 38   and name HN  ))
   (  segid "LIM1" and resid 57   and name HE% )
      4.700     2.800     1.300 peak   229 spectrum    1 weight  0.11000E+01 volume  0.30740E-03 ppm1      9.051 ppm2      6.855 CV     1
 ASSI {  230}
   (( segid "LIM1" and resid 38   and name HN  ))
   (( segid "LIM1" and resid 57   and name HA  ))
      2.900     1.100     1.100 peak   230 spectrum    1 weight  0.11000E+01 volume  0.16726E-02 ppm1      9.060 ppm2      5.910 CV     1
 ASSI {  231}
   (( segid "LIM1" and resid 38   and name HN  ))
   (( segid "LIM1" and resid 37   and name HA  ))
      2.100     0.600     0.600 peak   231 spectrum    1 weight  0.11000E+01 volume  0.50061E-02 ppm1      9.057 ppm2      3.822 CV     1
 ASSI {  232}
   (( segid "LIM1" and resid 38   and name HN  ))
   (( segid "LIM1" and resid 37   and name HB1 ))
      4.300     2.300     1.700 peak   232 spectrum    1 weight  0.11000E+01 volume  0.35029E-03 ppm1      9.062 ppm2      3.382 CV     1
 ASSI {  233}
   (( segid "LIM1" and resid 38   and name HN  ))
   (( segid "LIM1" and resid 38   and name HG1 ))
      3.600     1.600     1.600 peak   233 spectrum    1 weight  0.11000E+01 volume  0.22282E-02 ppm1      9.058 ppm2      2.890 CV     1
 ASSI {  234}
   (( segid "LIM1" and resid 38   and name HN  ))
   (( segid "LIM1" and resid 38   and name HG2 ))
      3.100     1.200     1.200 peak   234 spectrum    1 weight  0.11000E+01 volume  0.82986E-03 ppm1      9.058 ppm2      2.555 CV     1
 ASSI {  235}
   (( segid "LIM1" and resid 38   and name HN  ))
   (( segid "LIM1" and resid 38   and name HB1 ))
      3.900     1.900     1.900 peak   235 spectrum    1 weight  0.11000E+01 volume  0.11442E-02 ppm1      9.057 ppm2      2.176 CV     1
 ASSI {  236}
   (( segid "LIM1" and resid 38   and name HN  ))
   (( segid "LIM1" and resid 38   and name HB2 ))
      2.700     0.900     0.900 peak   236 spectrum    1 weight  0.11000E+01 volume  0.20507E-02 ppm1      9.060 ppm2      1.572 CV     1
 ASSI {  237}
   (( segid "LIM1" and resid 39   and name HN  ))
   (( segid "LIM1" and resid 38   and name HN  ))
      2.700     0.900     0.900 peak   237 spectrum    1 weight  0.11000E+01 volume  0.25469E-02 ppm1      9.310 ppm2      9.063 CV     1
 ASSI {  240}
   (( segid "LIM1" and resid 39   and name HN  ))
   (  segid "LIM1" and resid 57   and name HD% )
      3.100     1.200     1.200 peak   240 spectrum    1 weight  0.11000E+01 volume  0.15010E-02 ppm1      9.316 ppm2      7.262 CV     1
 ASSI {  241}
   (( segid "LIM1" and resid 39   and name HN  ))
   (  segid "LIM1" and resid 57   and name HE% )
      4.100     2.100     1.900 peak   241 spectrum    1 weight  0.11000E+01 volume  0.57692E-03 ppm1      9.317 ppm2      6.838 CV     1
 ASSI {  242}
   (( segid "LIM1" and resid 39   and name HN  ))
   (( segid "LIM1" and resid 39   and name HA  ))
      3.100     1.200     1.200 peak   242 spectrum    1 weight  0.11000E+01 volume  0.20172E-02 ppm1      9.315 ppm2      4.840 CV     1
 ASSI {  243}
   (( segid "LIM1" and resid 39   and name HN  ))
   (( segid "LIM1" and resid 41   and name HA  ))
      3.600     1.600     1.600 peak   243 spectrum    1 weight  0.11000E+01 volume  0.14572E-02 ppm1      9.314 ppm2      4.086 CV     1
 ASSI {  244}
   (( segid "LIM1" and resid 39   and name HN  ))
   (( segid "LIM1" and resid 38   and name HB1 ))
      4.200     2.200     1.800 peak   244 spectrum    1 weight  0.11000E+01 volume  0.52873E-03 ppm1      9.318 ppm2      2.179 CV     1
 ASSI {  245}
   (( segid "LIM1" and resid 39   and name HN  ))
   (  segid "LIM1" and resid 39   and name HB% )
      2.500     0.800     0.800 peak   245 spectrum    1 weight  0.11000E+01 volume  0.62185E-02 ppm1      9.314 ppm2      1.818 CV     1
 ASSI {  246}
   (( segid "LIM1" and resid 39   and name HN  ))
   (( segid "LIM1" and resid 40   and name HN  ))
      2.500     0.800     0.800 peak   246 spectrum    1 weight  0.11000E+01 volume  0.55458E-02 ppm1      9.316 ppm2      8.845 CV     1
 ASSI {  248}
   (( segid "LIM1" and resid 41   and name HN  ))
   (( segid "LIM1" and resid 39   and name HN  ))
      3.700     1.700     1.700 peak   248 spectrum    1 weight  0.11000E+01 volume  0.12161E-02 ppm1      7.857 ppm2      9.311 CV     1
 ASSI {  251}
   (( segid "LIM1" and resid 40   and name HN  ))
   (( segid "LIM1" and resid 40   and name HA  ))
      3.100     1.200     1.200 peak   251 spectrum    1 weight  0.11000E+01 volume  0.15242E-02 ppm1      8.842 ppm2      4.908 CV     1
 ASSI {  252}
   (( segid "LIM1" and resid 40   and name HN  ))
   (( segid "LIM1" and resid 41   and name HA  ))
      3.500     1.600     1.600 peak   252 spectrum    1 weight  0.11000E+01 volume  0.15329E-02 ppm1      8.842 ppm2      4.106 CV     1
 ASSI {  253}
   (( segid "LIM1" and resid 40   and name HN  ))
   (( segid "LIM1" and resid 40   and name HB1 ))
      2.900     1.000     1.000 peak   253 spectrum    1 weight  0.11000E+01 volume  0.22445E-02 ppm1      8.844 ppm2      3.331 CV     1
 ASSI {  254}
   (( segid "LIM1" and resid 40   and name HN  ))
   (( segid "LIM1" and resid 40   and name HB2 ))
      3.300     1.300     1.300 peak   254 spectrum    1 weight  0.11000E+01 volume  0.23340E-02 ppm1      8.846 ppm2      2.676 CV     1
 ASSI {  255}
   (( segid "LIM1" and resid 40   and name HN  ))
   (  segid "LIM1" and resid 39   and name HB% )
      2.500     0.800     0.800 peak   255 spectrum    1 weight  0.11000E+01 volume  0.46018E-02 ppm1      8.843 ppm2      1.818 CV     1
 ASSI {  256}
   (( segid "LIM1" and resid 42   and name HN  ))
   (( segid "LIM1" and resid 40   and name HN  ))
      3.800     1.800     1.800 peak   256 spectrum    1 weight  0.11000E+01 volume  0.14732E-02 ppm1      8.516 ppm2      8.803 CV     1
 ASSI {  257}
   (( segid "LIM1" and resid 41   and name HN  ))
   (( segid "LIM1" and resid 42   and name HN  ))
      2.100     0.500     0.500 peak   257 spectrum    1 weight  0.11000E+01 volume  0.22417E-02 ppm1      7.862 ppm2      8.520 CV     1
 ASSI {  258}
   (( segid "LIM1" and resid 41   and name HN  ))
   (( segid "LIM1" and resid 40   and name HA  ))
      3.900     1.900     1.900 peak   258 spectrum    1 weight  0.11000E+01 volume  0.42574E-03 ppm1      7.869 ppm2      4.925 CV     1
 ASSI {  259}
   (( segid "LIM1" and resid 41   and name HN  ))
   (( segid "LIM1" and resid 41   and name HA  ))
      2.200     0.600     0.600 peak   259 spectrum    1 weight  0.11000E+01 volume  0.76867E-02 ppm1      7.860 ppm2      4.120 CV     1
 ASSI {  260}
   (( segid "LIM1" and resid 41   and name HN  ))
   (( segid "LIM1" and resid 41   and name HD1 ))
      4.200     2.200     1.800 peak   260 spectrum    1 weight  0.11000E+01 volume  0.59540E-03 ppm1      7.866 ppm2      3.051 CV     1
 ASSI {  261}
   (( segid "LIM1" and resid 41   and name HN  ))
   (( segid "LIM1" and resid 37   and name HB2 ))
      4.700     2.800     1.300 peak   261 spectrum    1 weight  0.11000E+01 volume  0.56721E-03 ppm1      7.856 ppm2      2.805 CV     1
 ASSI {  262}
   (( segid "LIM1" and resid 41   and name HN  ))
   (( segid "LIM1" and resid 41   and name HB2 ))
      3.600     1.600     1.600 peak   262 spectrum    1 weight  0.11000E+01 volume  0.58505E-03 ppm1      7.870 ppm2      1.985 CV     1
 ASSI {  263}
   (( segid "LIM1" and resid 41   and name HN  ))
   (( segid "LIM1" and resid 41   and name HG1 ))
      3.800     1.800     1.800 peak   263 spectrum    1 weight  0.11000E+01 volume  0.93535E-03 ppm1      7.867 ppm2      1.435 CV     1
 ASSI {  265}
   (( segid "LIM1" and resid 42   and name HN  ))
   (( segid "LIM1" and resid 42   and name HB1 ))
      2.400     0.700     0.700 peak   265 spectrum    1 weight  0.11000E+01 volume  0.32941E-02 ppm1      8.519 ppm2      2.052 CV     1
 ASSI {  266}
   (( segid "LIM1" and resid 42   and name HN  ))
   (( segid "LIM1" and resid 42   and name HB2 ))
      2.500     0.800     0.800 peak   266 spectrum    1 weight  0.11000E+01 volume  0.26120E-02 ppm1      8.520 ppm2      1.604 CV     1
 ASSI {  267}
   (( segid "LIM1" and resid 43   and name HN  ))
   (( segid "LIM1" and resid 44   and name HN  ))
      4.500     2.500     1.500 peak   267 spectrum    1 weight  0.11000E+01 volume  0.52652E-03 ppm1      8.727 ppm2      7.668 CV     1
 ASSI {  268}
   (( segid "LIM1" and resid 43   and name HN  ))
   (( segid "LIM1" and resid 42   and name HA  ))
      2.200     0.600     0.600 peak   268 spectrum    1 weight  0.11000E+01 volume  0.95598E-02 ppm1      8.712 ppm2      4.222 CV     1
 ASSI {  269}
   (( segid "LIM1" and resid 43   and name HN  ))
   (( segid "LIM1" and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   269 spectrum    1 weight  0.11000E+01 volume  0.20000E-02 ppm1      8.723 ppm2      3.704 CV     1
 ASSI {  270}
   (( segid "LIM1" and resid 43   and name HN  ))
   (( segid "LIM1" and resid 42   and name HB1 ))
      3.800     1.800     1.800 peak   270 spectrum    1 weight  0.11000E+01 volume  0.10340E-02 ppm1      8.710 ppm2      2.052 CV     1
 ASSI {  271}
   (( segid "LIM1" and resid 43   and name HN  ))
   (( segid "LIM1" and resid 42   and name HB2 ))
      4.200     2.200     1.800 peak   271 spectrum    1 weight  0.11000E+01 volume  0.89687E-03 ppm1      8.712 ppm2      1.642 CV     1
 ASSI {  272}
   (( segid "LIM1" and resid 43   and name HN  ))
   (  segid "LIM1" and resid 43   and name HB% )
      2.400     0.700     0.700 peak   272 spectrum    1 weight  0.11000E+01 volume  0.71033E-02 ppm1      8.711 ppm2      1.363 CV     1
 ASSI {  273}
   (( segid "LIM1" and resid 44   and name HN  ))
   (( segid "LIM1" and resid 36   and name HA  ))
      3.800     1.800     1.800 peak   273 spectrum    1 weight  0.11000E+01 volume  0.22648E-02 ppm1      7.652 ppm2      4.792 CV     1
 ASSI {  274}
   (( segid "LIM1" and resid 44   and name HN  ))
   (( segid "LIM1" and resid 44   and name HA  ))
      2.900     1.000     1.000 peak   274 spectrum    1 weight  0.11000E+01 volume  0.13846E-02 ppm1      7.650 ppm2      4.414 CV     1
 ASSI {  275}
   (( segid "LIM1" and resid 44   and name HN  ))
   (( segid "LIM1" and resid 43   and name HA  ))
      2.100     0.600     0.600 peak   275 spectrum    1 weight  0.11000E+01 volume  0.66134E-02 ppm1      7.652 ppm2      3.690 CV     1
 ASSI {  276}
   (( segid "LIM1" and resid 44   and name HN  ))
   (  segid "LIM1" and resid 44   and name HD2%)
      2.800     2.800     3.200 peak   276 spectrum    1 weight  0.11000E+01 volume  0.38148E-02 ppm1      7.652 ppm2      1.335 CV     1
 ASSI {  277}
   (( segid "LIM1" and resid 44   and name HN  ))
   (( segid "LIM1" and resid 44   and name HB1 ))
      3.500     1.500     1.500 peak   277 spectrum    1 weight  0.11000E+01 volume  0.27958E-02 ppm1      7.653 ppm2      0.723 CV     1
 ASSI {  278}
   (( segid "LIM1" and resid 44   and name HN  ))
   (  segid "LIM1" and resid 44   and name HD1%)
      4.100     2.100     1.900 peak   278 spectrum    1 weight  0.11000E+01 volume  0.93787E-03 ppm1      7.647 ppm2      0.496 CV     1
 ASSI {  279}
   (( segid "LIM1" and resid 44   and name HN  ))
   (( segid "LIM1" and resid 44   and name HG  ))
      4.700     2.800     1.300 peak   279 spectrum    1 weight  0.11000E+01 volume  0.66396E-03 ppm1      7.654 ppm2     -0.188 CV     1
 ASSI {  280}
   (( segid "LIM1" and resid 45   and name HN  ))
   (  segid "LIM1" and resid 35   and name HE% )
      3.900     1.900     1.900 peak   280 spectrum    1 weight  0.11000E+01 volume  0.41915E-03 ppm1      7.744 ppm2      6.413 CV     1
 ASSI {  281}
   (( segid "LIM1" and resid 45   and name HN  ))
   (( segid "LIM1" and resid 44   and name HA  ))
      2.400     0.700     0.700 peak   281 spectrum    1 weight  0.11000E+01 volume  0.46499E-02 ppm1      7.744 ppm2      4.420 CV     1
 ASSI {  282}
   (( segid "LIM1" and resid 45   and name HN  ))
   (( segid "LIM1" and resid 45   and name HB2 ))
      3.300     1.400     1.400 peak   282 spectrum    1 weight  0.11000E+01 volume  0.57316E-03 ppm1      7.732 ppm2      2.744 CV     1
 ASSI {  283}
   (( segid "LIM1" and resid 45   and name HN  ))
   (  segid "LIM1" and resid 44   and name HD2%)
      4.600     2.700     1.400 peak   283 spectrum    1 weight  0.11000E+01 volume  0.64047E-03 ppm1      7.739 ppm2      1.258 CV     1
 ASSI {  284}
   (( segid "LIM1" and resid 45   and name HN  ))
   (( segid "LIM1" and resid 44   and name HB1 ))
      2.400     0.700     0.700 peak   284 spectrum    1 weight  0.11000E+01 volume  0.35644E-02 ppm1      7.745 ppm2      0.722 CV     1
 ASSI {  285}
   (( segid "LIM1" and resid 45   and name HN  ))
   (  segid "LIM1" and resid 44   and name HD1%)
      3.300     1.400     1.400 peak   285 spectrum    1 weight  0.11000E+01 volume  0.12396E-02 ppm1      7.744 ppm2      0.493 CV     1
 ASSI {  286}
   (( segid "LIM1" and resid 45   and name HN  ))
   (( segid "LIM1" and resid 44   and name HG  ))
      4.800     2.900     1.200 peak   286 spectrum    1 weight  0.11000E+01 volume  0.46986E-03 ppm1      7.757 ppm2     -0.206 CV     1
 ASSI {  287}
   (( segid "LIM1" and resid 49   and name HN  ))
   (( segid "LIM1" and resid 48   and name HN  ))
      2.300     0.600     0.600 peak   287 spectrum    1 weight  0.11000E+01 volume  0.62548E-02 ppm1      7.411 ppm2      7.759 CV     1
 ASSI {  288}
   (( segid "LIM1" and resid 47   and name HN  ))
   (  segid "LIM1" and resid 47   and name HG2%)
      2.900     1.000     1.000 peak   288 spectrum    1 weight  0.11000E+01 volume  0.23716E-02 ppm1      8.975 ppm2      1.223 CV     1
 ASSI {  289}
   (( segid "LIM1" and resid 47   and name HN  ))
   (( segid "LIM1" and resid 46   and name HB1 ))
      3.600     1.600     1.600 peak   289 spectrum    1 weight  0.11000E+01 volume  0.54123E-03 ppm1      8.982 ppm2      4.019 CV     1
 ASSI {  290}
   (( segid "LIM1" and resid 47   and name HN  ))
   (( segid "LIM1" and resid 47   and name HA  ))
      3.000     1.100     1.100 peak   290 spectrum    1 weight  0.11000E+01 volume  0.19587E-02 ppm1      8.976 ppm2      4.538 CV     1
 ASSI {  291}
   (( segid "LIM1" and resid 47   and name HN  ))
   (( segid "LIM1" and resid 49   and name HN  ))
      4.100     2.100     1.900 peak   291 spectrum    1 weight  0.11000E+01 volume  0.58069E-03 ppm1      8.977 ppm2      7.440 CV     1
 ASSI {  292}
   (( segid "LIM1" and resid 47   and name HN  ))
   (( segid "LIM1" and resid 48   and name HN  ))
      2.400     0.700     0.700 peak   292 spectrum    1 weight  0.11000E+01 volume  0.42241E-02 ppm1      8.975 ppm2      7.758 CV     1
 ASSI {  293}
   (( segid "LIM1" and resid 49   and name HN  ))
   (( segid "LIM1" and resid 50   and name HN  ))
      4.300     2.300     1.700 peak   293 spectrum    1 weight  0.11000E+01 volume  0.67834E-03 ppm1      7.410 ppm2      9.075 CV     1
 ASSI {  296}
   (( segid "LIM1" and resid 48   and name HN  ))
   (( segid "LIM1" and resid 48   and name HA  ))
      2.600     0.800     0.800 peak   296 spectrum    1 weight  0.11000E+01 volume  0.42318E-02 ppm1      7.757 ppm2      4.469 CV     1
 ASSI {  297}
   (( segid "LIM1" and resid 48   and name HN  ))
   (  segid "LIM1" and resid 48   and name HG2%)
      2.600     0.900     0.900 peak   297 spectrum    1 weight  0.11000E+01 volume  0.31226E-02 ppm1      7.758 ppm2      1.242 CV     1
 ASSI {  298}
   (( segid "LIM1" and resid 48   and name HN  ))
   (  segid "LIM1" and resid 49   and name HG1%)
      3.700     1.700     1.700 peak   298 spectrum    1 weight  0.11000E+01 volume  0.10678E-02 ppm1      7.756 ppm2      1.055 CV     1
 ASSI {  299}
   (( segid "LIM1" and resid 49   and name HN  ))
   (( segid "LIM1" and resid 49   and name HB  ))
      2.900     1.100     1.100 peak   299 spectrum    1 weight  0.11000E+01 volume  0.35584E-02 ppm1      7.412 ppm2      1.858 CV     1
 ASSI {  300}
   (( segid "LIM1" and resid 49   and name HN  ))
   (  segid "LIM1" and resid 49   and name HG1%)
      2.200     0.600     0.600 peak   300 spectrum    1 weight  0.11000E+01 volume  0.68429E-02 ppm1      7.411 ppm2      1.051 CV     1
 ASSI {  301}
   (( segid "LIM1" and resid 49   and name HN  ))
   (  segid "LIM1" and resid 49   and name HG2%)
      3.900     1.900     1.900 peak   301 spectrum    1 weight  0.11000E+01 volume  0.15301E-02 ppm1      7.411 ppm2      0.736 CV     1
 ASSI {  302}
   (( segid "LIM1" and resid 49   and name HN  ))
   (  segid "LIM1" and resid 44   and name HD1%)
      4.000     2.000     2.000 peak   302 spectrum    1 weight  0.11000E+01 volume  0.50743E-03 ppm1      7.420 ppm2      0.496 CV     1
 ASSI {  305}
   (( segid "LIM1" and resid 50   and name HN  ))
   (( segid "LIM1" and resid 58   and name HA  ))
      3.600     1.600     1.600 peak   305 spectrum    1 weight  0.11000E+01 volume  0.62326E-03 ppm1      9.085 ppm2      5.207 CV     1
 ASSI {  306}
   (( segid "LIM1" and resid 50   and name HN  ))
   (( segid "LIM1" and resid 49   and name HA  ))
      2.200     0.600     0.600 peak   306 spectrum    1 weight  0.11000E+01 volume  0.77482E-02 ppm1      9.079 ppm2      4.286 CV     1
 ASSI {  307}
   (( segid "LIM1" and resid 50   and name HN  ))
   (( segid "LIM1" and resid 49   and name HB  ))
      4.300     2.300     1.700 peak   307 spectrum    1 weight  0.11000E+01 volume  0.81797E-03 ppm1      9.083 ppm2      1.866 CV     1
 ASSI {  308}
   (( segid "LIM1" and resid 50   and name HN  ))
   (  segid "LIM1" and resid 49   and name HG1%)
      4.700     2.800     1.300 peak   308 spectrum    1 weight  0.11000E+01 volume  0.57349E-03 ppm1      9.079 ppm2      1.026 CV     1
 ASSI {  309}
   (( segid "LIM1" and resid 50   and name HN  ))
   (  segid "LIM1" and resid 49   and name HG2%)
      2.400     2.400     3.600 peak   309 spectrum    1 weight  0.11000E+01 volume  0.64440E-02 ppm1      9.080 ppm2      0.734 CV     1
 ASSI {  310}
   (( segid "LIM1" and resid 50   and name HN  ))
   (( segid "LIM1" and resid 44   and name HG  ))
      4.100     2.100     1.900 peak   310 spectrum    1 weight  0.11000E+01 volume  0.59134E-03 ppm1      9.081 ppm2     -0.189 CV     1
 ASSI {  311}
   (( segid "LIM1" and resid 51   and name HN  ))
   (( segid "LIM1" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak   311 spectrum    1 weight  0.11000E+01 volume  0.18713E-02 ppm1      8.294 ppm2      5.105 CV     1
 ASSI {  312}
   (( segid "LIM1" and resid 51   and name HN  ))
   (( segid "LIM1" and resid 50   and name HA  ))
      2.200     0.600     0.600 peak   312 spectrum    1 weight  0.11000E+01 volume  0.95460E-02 ppm1      8.292 ppm2      4.286 CV     1
 ASSI {  313}
   (( segid "LIM1" and resid 51   and name HN  ))
   (  segid "LIM1" and resid 51   and name HB% )
      2.500     0.800     0.800 peak   313 spectrum    1 weight  0.11000E+01 volume  0.61671E-02 ppm1      8.290 ppm2      1.310 CV     1
 ASSI {  314}
   (( segid "LIM1" and resid 51   and name HN  ))
   (  segid "LIM1" and resid 50   and name HB% )
      3.500     1.500     1.500 peak   314 spectrum    1 weight  0.11000E+01 volume  0.28355E-02 ppm1      8.286 ppm2      0.726 CV     1
 ASSI {  315}
   (( segid "LIM1" and resid 53   and name HN  ))
   (( segid "LIM1" and resid 53   and name HA  ))
      2.500     0.800     0.800 peak   315 spectrum    1 weight  0.11000E+01 volume  0.52588E-02 ppm1      8.934 ppm2      3.577 CV     1
 ASSI {  316}
   (( segid "LIM1" and resid 53   and name HN  ))
   (( segid "LIM1" and resid 53   and name HG2 ))
      4.000     2.000     2.000 peak   316 spectrum    1 weight  0.11000E+01 volume  0.75035E-03 ppm1      8.938 ppm2      1.747 CV     1
 ASSI {  318}
   (( segid "LIM1" and resid 55   and name HN  ))
   (( segid "LIM1" and resid 54   and name HA  ))
      3.100     1.200     1.200 peak   318 spectrum    1 weight  0.11000E+01 volume  0.17204E-02 ppm1      8.698 ppm2      4.609 CV     1
 ASSI {  319}
   (( segid "LIM1" and resid 55   and name HN  ))
   (( segid "LIM1" and resid 55   and name HA  ))
      2.900     1.100     1.100 peak   319 spectrum    1 weight  0.11000E+01 volume  0.20226E-02 ppm1      8.702 ppm2      4.467 CV     1
 ASSI {  320}
   (( segid "LIM1" and resid 55   and name HN  ))
   (( segid "LIM1" and resid 55   and name HG1 ))
      2.700     0.900     0.900 peak   320 spectrum    1 weight  0.11000E+01 volume  0.57013E-02 ppm1      8.701 ppm2      2.503 CV     1
 ASSI {  321}
   (( segid "LIM1" and resid 55   and name HN  ))
   (( segid "LIM1" and resid 55   and name HB1 ))
      3.500     1.500     1.500 peak   321 spectrum    1 weight  0.11000E+01 volume  0.21640E-02 ppm1      8.703 ppm2      2.028 CV     1
 ASSI {  322}
   (( segid "LIM1" and resid 56   and name HN  ))
   (( segid "LIM1" and resid 55   and name HA  ))
      2.400     0.700     0.700 peak   322 spectrum    1 weight  0.11000E+01 volume  0.65371E-02 ppm1      7.592 ppm2      4.461 CV     1
 ASSI {  323}
   (( segid "LIM1" and resid 56   and name HN  ))
   (( segid "LIM1" and resid 38   and name HG2 ))
      3.700     1.700     1.700 peak   323 spectrum    1 weight  0.11000E+01 volume  0.13098E-02 ppm1      7.587 ppm2      2.523 CV     1
 ASSI {  324}
   (( segid "LIM1" and resid 56   and name HN  ))
   (  segid "LIM1" and resid 38   and name HE% )
      3.600     3.600     2.400 peak   324 spectrum    1 weight  0.11000E+01 volume  0.16456E-02 ppm1      7.590 ppm2      2.361 CV     1
 ASSI {  325}
   (( segid "LIM1" and resid 56   and name HN  ))
   (( segid "LIM1" and resid 56   and name HG11))
      3.600     1.600     1.600 peak   325 spectrum    1 weight  0.11000E+01 volume  0.14847E-02 ppm1      7.587 ppm2      1.406 CV     1
 ASSI {  326}
   (( segid "LIM1" and resid 56   and name HN  ))
   (( segid "LIM1" and resid 56   and name HB  ))
      3.800     1.800     1.800 peak   326 spectrum    1 weight  0.11000E+01 volume  0.85083E-03 ppm1      7.585 ppm2      0.984 CV     1
 ASSI {  327}
   (( segid "LIM1" and resid 56   and name HN  ))
   (( segid "LIM1" and resid 56   and name HG12))
      2.800     1.000     1.000 peak   327 spectrum    1 weight  0.11000E+01 volume  0.29958E-02 ppm1      7.587 ppm2      0.648 CV     1
 ASSI {  328}
   (( segid "LIM1" and resid 56   and name HN  ))
   (  segid "LIM1" and resid 56   and name HG2%)
      3.000     1.100     1.100 peak   328 spectrum    1 weight  0.11000E+01 volume  0.13871E-02 ppm1      7.585 ppm2      0.307 CV     1
 ASSI {  329}
   (( segid "LIM1" and resid 56   and name HN  ))
   (  segid "LIM1" and resid 56   and name HD1%)
      3.800     1.800     1.800 peak   329 spectrum    1 weight  0.11000E+01 volume  0.31229E-02 ppm1      7.581 ppm2     -0.119 CV     1
 ASSI {  330}
   (( segid "LIM1" and resid 57   and name HN  ))
   (( segid "LIM1" and resid 50   and name HN  ))
      3.100     1.200     1.200 peak   330 spectrum    1 weight  0.11000E+01 volume  0.12011E-02 ppm1      8.015 ppm2      9.069 CV     1
 ASSI {  331}
   (( segid "LIM1" and resid 57   and name HN  ))
   (  segid "LIM1" and resid 57   and name HD% )
      3.400     1.500     1.500 peak   331 spectrum    1 weight  0.11000E+01 volume  0.94288E-03 ppm1      7.987 ppm2      7.240 CV     1
 ASSI {  332}
   (( segid "LIM1" and resid 57   and name HN  ))
   (( segid "LIM1" and resid 57   and name HA  ))
      3.400     1.400     1.400 peak   332 spectrum    1 weight  0.11000E+01 volume  0.72250E-03 ppm1      8.002 ppm2      5.926 CV     1
 ASSI {  333}
   (( segid "LIM1" and resid 57   and name HN  ))
   (( segid "LIM1" and resid 51   and name HA  ))
      4.100     2.100     1.900 peak   333 spectrum    1 weight  0.11000E+01 volume  0.84552E-03 ppm1      8.001 ppm2      5.092 CV     1
 ASSI {  334}
   (( segid "LIM1" and resid 57   and name HN  ))
   (( segid "LIM1" and resid 56   and name HA  ))
      2.300     0.700     0.700 peak   334 spectrum    1 weight  0.11000E+01 volume  0.58230E-02 ppm1      7.999 ppm2      4.428 CV     1
 ASSI {  335}
   (( segid "LIM1" and resid 57   and name HN  ))
   (( segid "LIM1" and resid 57   and name HB1 ))
      3.700     1.800     1.800 peak   335 spectrum    1 weight  0.11000E+01 volume  0.11539E-02 ppm1      8.000 ppm2      3.769 CV     1
 ASSI {  336}
   (( segid "LIM1" and resid 57   and name HN  ))
   (( segid "LIM1" and resid 57   and name HB2 ))
      2.800     1.000     1.000 peak   336 spectrum    1 weight  0.11000E+01 volume  0.18707E-02 ppm1      7.998 ppm2      2.881 CV     1
 ASSI {  337}
   (( segid "LIM1" and resid 57   and name HN  ))
   (( segid "LIM1" and resid 56   and name HB  ))
      3.800     1.800     1.800 peak   337 spectrum    1 weight  0.11000E+01 volume  0.12734E-02 ppm1      7.996 ppm2      0.987 CV     1
 ASSI {  338}
   (( segid "LIM1" and resid 57   and name HN  ))
   (  segid "LIM1" and resid 49   and name HG2%)
      3.200     1.300     1.300 peak   338 spectrum    1 weight  0.11000E+01 volume  0.13658E-02 ppm1      7.993 ppm2      0.729 CV     1
 ASSI {  339}
   (( segid "LIM1" and resid 57   and name HN  ))
   (  segid "LIM1" and resid 56   and name HG2%)
      2.700     2.700     3.300 peak   339 spectrum    1 weight  0.11000E+01 volume  0.87651E-03 ppm1      8.004 ppm2      0.312 CV     1
 ASSI {  340}
   (( segid "LIM1" and resid 58   and name HN  ))
   (  segid "LIM1" and resid 57   and name HD% )
      4.500     2.500     1.500 peak   340 spectrum    1 weight  0.11000E+01 volume  0.42385E-03 ppm1      9.478 ppm2      7.261 CV     1
 ASSI {  341}
   (( segid "LIM1" and resid 58   and name HN  ))
   (( segid "LIM1" and resid 57   and name HA  ))
      2.500     0.800     0.800 peak   341 spectrum    1 weight  0.11000E+01 volume  0.36447E-02 ppm1      9.481 ppm2      5.910 CV     1
 ASSI {  342}
   (( segid "LIM1" and resid 58   and name HN  ))
   (( segid "LIM1" and resid 58   and name HA  ))
      3.000     1.100     1.100 peak   342 spectrum    1 weight  0.11000E+01 volume  0.11604E-02 ppm1      9.481 ppm2      5.205 CV     1
 ASSI {  343}
   (( segid "LIM1" and resid 58   and name HN  ))
   (( segid "LIM1" and resid 37   and name HA  ))
      2.900     2.900     3.100 peak   343 spectrum    1 weight  0.11000E+01 volume  0.32963E-02 ppm1      9.481 ppm2      3.771 CV     1
 ASSI {  344}
   (( segid "LIM1" and resid 58   and name HN  ))
   (( segid "LIM1" and resid 37   and name HB1 ))
      3.600     1.700     1.700 peak   344 spectrum    1 weight  0.11000E+01 volume  0.11867E-02 ppm1      9.477 ppm2      3.387 CV     1
 ASSI {  345}
   (( segid "LIM1" and resid 58   and name HN  ))
   (( segid "LIM1" and resid 61   and name HB1 ))
      4.200     2.300     1.800 peak   345 spectrum    1 weight  0.11000E+01 volume  0.13282E-02 ppm1      9.483 ppm2      3.178 CV     1
 ASSI {  346}
   (( segid "LIM1" and resid 58   and name HN  ))
   (( segid "LIM1" and resid 37   and name HB2 ))
      2.500     0.800     0.800 peak   346 spectrum    1 weight  0.11000E+01 volume  0.40577E-02 ppm1      9.475 ppm2      2.815 CV     1
 ASSI {  347}
   (( segid "LIM1" and resid 58   and name HN  ))
   (  segid "LIM1" and resid 44   and name HD1%)
      4.100     2.100     1.900 peak   347 spectrum    1 weight  0.11000E+01 volume  0.76884E-03 ppm1      9.478 ppm2      0.487 CV     1
 ASSI {  348}
   (( segid "LIM1" and resid 58   and name HN  ))
   (( segid "LIM1" and resid 44   and name HG  ))
      3.800     1.800     1.800 peak   348 spectrum    1 weight  0.11000E+01 volume  0.64269E-03 ppm1      9.477 ppm2     -0.195 CV     1
 ASSI {  349}
   (( segid "LIM1" and resid 59   and name HN  ))
   (( segid "LIM1" and resid 58   and name HN  ))
      4.500     2.500     1.500 peak   349 spectrum    1 weight  0.11000E+01 volume  0.45484E-03 ppm1      8.690 ppm2      9.490 CV     1
 ASSI {  350}
   (( segid "LIM1" and resid 59   and name HN  ))
   (( segid "LIM1" and resid 60   and name HN  ))
      2.700     0.900     0.900 peak   350 spectrum    1 weight  0.11000E+01 volume  0.25293E-02 ppm1      8.693 ppm2      7.834 CV     1
 ASSI {  351}
   (( segid "LIM1" and resid 59   and name HN  ))
   (( segid "LIM1" and resid 58   and name HA  ))
      2.200     0.600     0.600 peak   351 spectrum    1 weight  0.11000E+01 volume  0.44133E-02 ppm1      8.692 ppm2      5.207 CV     1
 ASSI {  352}
   (( segid "LIM1" and resid 59   and name HN  ))
   (( segid "LIM1" and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   352 spectrum    1 weight  0.11000E+01 volume  0.23440E-02 ppm1      8.691 ppm2      3.808 CV     1
 ASSI {  353}
   (( segid "LIM1" and resid 59   and name HN  ))
   (( segid "LIM1" and resid 58   and name HB1 ))
      3.500     1.500     1.500 peak   353 spectrum    1 weight  0.11000E+01 volume  0.24361E-02 ppm1      8.694 ppm2      3.493 CV     1
 ASSI {  354}
   (( segid "LIM1" and resid 59   and name HN  ))
   (( segid "LIM1" and resid 58   and name HB2 ))
      2.900     1.100     1.100 peak   354 spectrum    1 weight  0.11000E+01 volume  0.11946E-02 ppm1      8.691 ppm2      2.789 CV     1
 ASSI {  355}
   (( segid "LIM1" and resid 59   and name HN  ))
   (( segid "LIM1" and resid 59   and name HB1 ))
      3.200     1.300     1.300 peak   355 spectrum    1 weight  0.11000E+01 volume  0.50881E-02 ppm1      8.693 ppm2      1.874 CV     1
 ASSI {  356}
   (( segid "LIM1" and resid 59   and name HN  ))
   (( segid "LIM1" and resid 59   and name HG1 ))
      2.600     0.900     0.900 peak   356 spectrum    1 weight  0.11000E+01 volume  0.16716E-02 ppm1      8.695 ppm2      1.521 CV     1
 ASSI {  357}
   (( segid "LIM1" and resid 59   and name HN  ))
   (  segid "LIM1" and resid 44   and name HD1%)
      4.600     2.600     1.400 peak   357 spectrum    1 weight  0.11000E+01 volume  0.44076E-03 ppm1      8.682 ppm2      0.480 CV     1
 ASSI {  358}
   (( segid "LIM1" and resid 62   and name HN  ))
   (( segid "LIM1" and resid 58   and name HN  ))
      3.900     1.900     1.900 peak   358 spectrum    1 weight  0.11000E+01 volume  0.66271E-03 ppm1      8.821 ppm2      9.493 CV     1
 ASSI {  359}
   (( segid "LIM1" and resid 62   and name HN  ))
   (( segid "LIM1" and resid 63   and name HN  ))
      2.700     0.900     0.900 peak   359 spectrum    1 weight  0.11000E+01 volume  0.27926E-02 ppm1      8.823 ppm2      7.964 CV     1
 ASSI {  360}
   (( segid "LIM1" and resid 62   and name HN  ))
   (  segid "LIM1" and resid 62   and name HD% )
      4.500     2.600     1.500 peak   360 spectrum    1 weight  0.11000E+01 volume  0.76538E-03 ppm1      8.817 ppm2      6.858 CV     1
 ASSI {  361}
   (( segid "LIM1" and resid 62   and name HN  ))
   (( segid "LIM1" and resid 57   and name HB1 ))
      2.900     1.100     1.100 peak   361 spectrum    1 weight  0.11000E+01 volume  0.38565E-02 ppm1      8.822 ppm2      3.766 CV     1
 ASSI {  362}
   (( segid "LIM1" and resid 62   and name HN  ))
   (( segid "LIM1" and resid 62   and name HA  ))
      2.900     1.100     1.100 peak   362 spectrum    1 weight  0.11000E+01 volume  0.22238E-02 ppm1      8.821 ppm2      3.413 CV     1
 ASSI {  363}
   (( segid "LIM1" and resid 62   and name HN  ))
   (( segid "LIM1" and resid 62   and name HB1 ))
      2.600     0.800     0.800 peak   363 spectrum    1 weight  0.11000E+01 volume  0.45087E-02 ppm1      8.824 ppm2      2.952 CV     1
 ASSI {  364}
   (( segid "LIM1" and resid 62   and name HN  ))
   (  segid "LIM1" and resid 50   and name HB% )
      4.300     2.300     1.700 peak   364 spectrum    1 weight  0.11000E+01 volume  0.70341E-03 ppm1      8.827 ppm2      0.727 CV     1
 ASSI {  366}
   (( segid "LIM1" and resid 63   and name HN  ))
   (( segid "LIM1" and resid 64   and name HN  ))
      2.800     0.900     0.900 peak   366 spectrum    1 weight  0.11000E+01 volume  0.25222E-02 ppm1      7.969 ppm2      7.413 CV     1
 ASSI {  367}
   (( segid "LIM1" and resid 63   and name HN  ))
   (  segid "LIM1" and resid 62   and name HD% )
      3.600     1.700     1.700 peak   367 spectrum    1 weight  0.11000E+01 volume  0.10074E-02 ppm1      7.968 ppm2      6.865 CV     1
 ASSI {  368}
   (( segid "LIM1" and resid 63   and name HN  ))
   (( segid "LIM1" and resid 64   and name HA  ))
      3.100     3.100     2.900 peak   368 spectrum    1 weight  0.11000E+01 volume  0.60095E-02 ppm1      7.971 ppm2      3.885 CV     1
 ASSI {  369}
   (( segid "LIM1" and resid 63   and name HN  ))
   (( segid "LIM1" and resid 62   and name HA  ))
      3.500     1.500     1.500 peak   369 spectrum    1 weight  0.11000E+01 volume  0.10002E-02 ppm1      7.968 ppm2      3.415 CV     1
 ASSI {  370}
   (( segid "LIM1" and resid 63   and name HN  ))
   (( segid "LIM1" and resid 62   and name HB1 ))
      2.700     0.900     0.900 peak   370 spectrum    1 weight  0.11000E+01 volume  0.26192E-02 ppm1      7.961 ppm2      2.959 CV     1
 ASSI {  371}
   (( segid "LIM1" and resid 63   and name HN  ))
   (( segid "LIM1" and resid 64   and name HB1 ))
      4.800     2.900     1.200 peak   371 spectrum    1 weight  0.11000E+01 volume  0.53811E-03 ppm1      7.977 ppm2      1.698 CV     1
 ASSI {  373}
   (( segid "LIM1" and resid 64   and name HN  ))
   (( segid "LIM1" and resid 62   and name HN  ))
      4.100     2.100     1.900 peak   373 spectrum    1 weight  0.11000E+01 volume  0.50995E-03 ppm1      7.426 ppm2      8.849 CV     1
 ASSI {  374}
   (( segid "LIM1" and resid 64   and name HN  ))
   (( segid "LIM1" and resid 64   and name HA  ))
      2.700     0.900     0.900 peak   374 spectrum    1 weight  0.11000E+01 volume  0.40672E-02 ppm1      7.411 ppm2      3.959 CV     1
 ASSI {  375}
   (( segid "LIM1" and resid 64   and name HN  ))
   (( segid "LIM1" and resid 64   and name HD1 ))
      4.600     2.600     1.400 peak   375 spectrum    1 weight  0.11000E+01 volume  0.52621E-03 ppm1      7.407 ppm2      3.057 CV     1
 ASSI {  376}
   (( segid "LIM1" and resid 64   and name HN  ))
   (( segid "LIM1" and resid 64   and name HB1 ))
      2.600     0.800     0.800 peak   376 spectrum    1 weight  0.11000E+01 volume  0.62602E-02 ppm1      7.411 ppm2      1.711 CV     1
 ASSI {  377}
   (( segid "LIM1" and resid 64   and name HN  ))
   (  segid "LIM1" and resid 60   and name HG2%)
      3.000     3.000     3.000 peak   377 spectrum    1 weight  0.11000E+01 volume  0.46078E-03 ppm1      7.414 ppm2      0.873 CV     1
 ASSI {  379}
   (( segid "LIM1" and resid 65   and name HN  ))
   (( segid "LIM1" and resid 66   and name HN  ))
      2.600     0.800     0.800 peak   379 spectrum    1 weight  0.11000E+01 volume  0.34643E-02 ppm1      7.216 ppm2      8.050 CV     1
 ASSI {  380}
   (( segid "LIM1" and resid 65   and name HN  ))
   (  segid "LIM1" and resid 66   and name HD% )
      4.600     4.600     1.400 peak   380 spectrum    1 weight  0.11000E+01 volume  0.37533E-03 ppm1      7.226 ppm2      6.285 CV     1
 ASSI {  381}
   (( segid "LIM1" and resid 65   and name HN  ))
   (( segid "LIM1" and resid 65   and name HA  ))
      2.900     1.000     1.000 peak   381 spectrum    1 weight  0.11000E+01 volume  0.26752E-02 ppm1      7.217 ppm2      3.764 CV     1
 ASSI {  382}
   (( segid "LIM1" and resid 65   and name HN  ))
   (( segid "LIM1" and resid 62   and name HA  ))
      3.700     1.700     1.700 peak   382 spectrum    1 weight  0.11000E+01 volume  0.59604E-03 ppm1      7.208 ppm2      3.422 CV     1
 ASSI {  383}
   (( segid "LIM1" and resid 65   and name HN  ))
   (( segid "LIM1" and resid 61   and name HB2 ))
      3.100     3.100     2.900 peak   383 spectrum    1 weight  0.11000E+01 volume  0.37597E-03 ppm1      7.202 ppm2      2.836 CV     1
 ASSI {  384}
   (( segid "LIM1" and resid 65   and name HN  ))
   (( segid "LIM1" and resid 65   and name HD1 ))
      5.100     3.200     0.900 peak   384 spectrum    1 weight  0.11000E+01 volume  0.31461E-03 ppm1      7.211 ppm2      2.432 CV     1
 ASSI {  385}
   (( segid "LIM1" and resid 65   and name HN  ))
   (( segid "LIM1" and resid 64   and name HG2 ))
      4.000     2.000     2.000 peak   385 spectrum    1 weight  0.11000E+01 volume  0.56378E-03 ppm1      7.222 ppm2      1.555 CV     1
 ASSI {  386}
   (( segid "LIM1" and resid 65   and name HN  ))
   (( segid "LIM1" and resid 64   and name HG1 ))
      3.500     1.500     1.500 peak   386 spectrum    1 weight  0.11000E+01 volume  0.18031E-02 ppm1      7.216 ppm2      1.718 CV     1
 ASSI {  387}
   (( segid "LIM1" and resid 65   and name HN  ))
   (( segid "LIM1" and resid 65   and name HB1 ))
      3.000     1.100     1.100 peak   387 spectrum    1 weight  0.11000E+01 volume  0.37792E-02 ppm1      7.218 ppm2      0.849 CV     1
 ASSI {  388}
   (( segid "LIM1" and resid 65   and name HN  ))
   (( segid "LIM1" and resid 65   and name HB2 ))
      2.600     0.800     0.800 peak   388 spectrum    1 weight  0.11000E+01 volume  0.29366E-02 ppm1      7.217 ppm2      0.613 CV     1
 ASSI {  390}
   (( segid "LIM1" and resid 66   and name HN  ))
   (  segid "LIM1" and resid 66   and name HD% )
      3.000     3.000     3.000 peak   390 spectrum    1 weight  0.11000E+01 volume  0.16209E-02 ppm1      8.057 ppm2      6.292 CV     1
 ASSI {  391}
   (( segid "LIM1" and resid 66   and name HN  ))
   (( segid "LIM1" and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   391 spectrum    1 weight  0.11000E+01 volume  0.18112E-02 ppm1      8.050 ppm2      4.456 CV     1
 ASSI {  392}
   (( segid "LIM1" and resid 66   and name HN  ))
   (( segid "LIM1" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   392 spectrum    1 weight  0.11000E+01 volume  0.20050E-02 ppm1      8.071 ppm2      3.747 CV     1
 ASSI {  393}
   (( segid "LIM1" and resid 66   and name HN  ))
   (( segid "LIM1" and resid 66   and name HB1 ))
      3.700     1.700     1.700 peak   393 spectrum    1 weight  0.11000E+01 volume  0.22639E-02 ppm1      8.059 ppm2      2.851 CV     1
 ASSI {  394}
   (( segid "LIM1" and resid 66   and name HN  ))
   (( segid "LIM1" and resid 66   and name HB2 ))
      2.700     0.900     0.900 peak   394 spectrum    1 weight  0.11000E+01 volume  0.24530E-02 ppm1      8.058 ppm2      1.521 CV     1
 ASSI {  395}
   (( segid "LIM1" and resid 66   and name HN  ))
   (( segid "LIM1" and resid 65   and name HB1 ))
      3.300     1.300     1.300 peak   395 spectrum    1 weight  0.11000E+01 volume  0.14262E-02 ppm1      8.061 ppm2      0.842 CV     1
 ASSI {  396}
   (( segid "LIM1" and resid 66   and name HN  ))
   (( segid "LIM1" and resid 65   and name HB2 ))
      3.100     1.200     1.200 peak   396 spectrum    1 weight  0.11000E+01 volume  0.12312E-02 ppm1      8.062 ppm2      0.608 CV     1
 ASSI {  397}
   (( segid "LIM1" and resid 67   and name HN  ))
   (( segid "LIM1" and resid 66   and name HB2 ))
      3.900     1.900     1.900 peak   397 spectrum    1 weight  0.11000E+01 volume  0.66991E-03 ppm1      7.520 ppm2      1.529 CV     1
 ASSI {  398}
   (( segid "LIM1" and resid 67   and name HN  ))
   (( segid "LIM1" and resid 66   and name HB1 ))
      4.300     2.400     1.700 peak   398 spectrum    1 weight  0.11000E+01 volume  0.53028E-03 ppm1      7.508 ppm2      2.852 CV     1
 ASSI {  399}
   (( segid "LIM1" and resid 67   and name HN  ))
   (( segid "LIM1" and resid 66   and name HA  ))
      3.200     1.300     1.300 peak   399 spectrum    1 weight  0.11000E+01 volume  0.14747E-02 ppm1      7.512 ppm2      4.453 CV     1
 ASSI {  400}
   (( segid "LIM1" and resid 67   and name HN  ))
   (( segid "LIM1" and resid 63   and name HA1 ))
      2.600     2.600     3.400 peak   400 spectrum    1 weight  0.11000E+01 volume  0.11924E-02 ppm1      7.514 ppm2      3.749 CV     1
 ASSI {  401}
   (( segid "LIM1" and resid 67   and name HN  ))
   (( segid "LIM1" and resid 68   and name HD1 ))
      3.600     1.600     1.600 peak   401 spectrum    1 weight  0.11000E+01 volume  0.11044E-02 ppm1      7.517 ppm2      3.599 CV     1
 ASSI {  402}
   (( segid "LIM1" and resid 67   and name HN  ))
   (( segid "LIM1" and resid 66   and name HN  ))
      2.500     0.800     0.800 peak   402 spectrum    1 weight  0.11000E+01 volume  0.57588E-02 ppm1      7.516 ppm2      8.049 CV     1
 ASSI {  403}
   (( segid "LIM1" and resid 67   and name HN  ))
   (  segid "LIM1" and resid 66   and name HD% )
      3.200     3.200     2.800 peak   403 spectrum    1 weight  0.11000E+01 volume  0.32149E-03 ppm1      7.527 ppm2      6.271 CV     1
 ASSI {  404}
   (( segid "LIM1" and resid 69   and name HN  ))
   (( segid "LIM1" and resid 68   and name HA  ))
      2.700     0.900     0.900 peak   404 spectrum    1 weight  0.11000E+01 volume  0.39210E-02 ppm1      8.413 ppm2      4.333 CV     1
 ASSI {  405}
   (( segid "LIM1" and resid 69   and name HN  ))
   (( segid "LIM1" and resid 69   and name HB2 ))
      3.100     1.200     1.200 peak   405 spectrum    1 weight  0.11000E+01 volume  0.12869E-02 ppm1      8.412 ppm2      1.714 CV     1
 ASSI {  406}
   (( segid "LIM1" and resid 70   and name HN  ))
   (( segid "LIM1" and resid 70   and name HA1 ))
      3.200     1.200     1.200 peak   406 spectrum    1 weight  0.11000E+01 volume  0.15323E-02 ppm1      8.216 ppm2      3.885 CV     1
 ASSI {  407}
   (( segid "LIM1" and resid 70   and name HN  ))
   (( segid "LIM1" and resid 69   and name HA  ))
      3.300     1.400     1.400 peak   407 spectrum    1 weight  0.11000E+01 volume  0.10321E-02 ppm1      8.229 ppm2      4.295 CV     1
 ASSI {  408}
   (( segid "LIM1" and resid 71   and name HN  ))
   (  segid "LIM1" and resid 71   and name HG2%)
      3.600     1.600     1.600 peak   408 spectrum    1 weight  0.11000E+01 volume  0.11401E-02 ppm1      7.965 ppm2      0.829 CV     1
 ASSI {  409}
   (( segid "LIM1" and resid 71   and name HN  ))
   (( segid "LIM1" and resid 71   and name HG12))
      3.400     1.400     1.400 peak   409 spectrum    1 weight  0.11000E+01 volume  0.14387E-02 ppm1      7.974 ppm2      1.099 CV     1
 ASSI {  410}
   (( segid "LIM1" and resid 71   and name HN  ))
   (( segid "LIM1" and resid 71   and name HB  ))
      3.100     1.200     1.200 peak   410 spectrum    1 weight  0.11000E+01 volume  0.20501E-02 ppm1      7.964 ppm2      1.810 CV     1
 ASSI {  411}
   (( segid "LIM1" and resid 71   and name HN  ))
   (( segid "LIM1" and resid 70   and name HA1 ))
      2.800     1.000     1.000 peak   411 spectrum    1 weight  0.11000E+01 volume  0.34596E-02 ppm1      7.964 ppm2      3.900 CV     1
 ASSI {  412}
   (( segid "LIM1" and resid 71   and name HN  ))
   (( segid "LIM1" and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   412 spectrum    1 weight  0.11000E+01 volume  0.17001E-02 ppm1      7.965 ppm2      4.131 CV     1
 ASSI {  413}
   (( segid "LIM1" and resid 72   and name HN  ))
   (( segid "LIM1" and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   413 spectrum    1 weight  0.11000E+01 volume  0.17286E-02 ppm1      8.437 ppm2      4.117 CV     1
 ASSI {  414}
   (( segid "LIM1" and resid 73   and name HN  ))
   (( segid "LIM1" and resid 72   and name HA1 ))
      3.200     1.200     1.200 peak   414 spectrum    1 weight  0.11000E+01 volume  0.21090E-02 ppm1      8.029 ppm2      3.834 CV     1
 ASSI {  415}
   (( segid "LIM1" and resid 73   and name HN  ))
   (( segid "LIM1" and resid 73   and name HB1 ))
      3.700     1.700     1.700 peak   415 spectrum    1 weight  0.11000E+01 volume  0.11886E-02 ppm1      8.037 ppm2      2.946 CV     1
 ASSI {  416}
   (( segid "LIM1" and resid 85   and name HN  ))
   (  segid "LIM1" and resid 84   and name HG2%)
      3.800     1.800     1.800 peak   416 spectrum    1 weight  0.11000E+01 volume  0.12703E-02 ppm1      8.092 ppm2      1.127 CV     1
 ASSI {  417}
   (( segid "LIM1" and resid 15   and name HN  ))
   (( segid "LIM1" and resid 15   and name HG2 ))
      2.900     1.000     1.000 peak   417 spectrum    1 weight  0.11000E+01 volume  0.53233E-02 ppm1      8.251 ppm2      1.466 CV     1
 ASSI {  418}
   (( segid "LIM1" and resid 10   and name HN  ))
   (( segid "LIM1" and resid 16   and name HA  ))
      2.500     0.800     0.800 peak   418 spectrum    1 weight  0.11000E+01 volume  0.10792E-01 ppm1      8.248 ppm2      4.021 CV     1
 ASSI {  419}
   (( segid "LIM1" and resid 10   and name HN  ))
   (( segid "LIM1" and resid 16   and name HB  ))
      4.900     3.000     1.100 peak   419 spectrum    1 weight  0.11000E+01 volume  0.59917E-03 ppm1      8.245 ppm2      3.733 CV     1
 ASSI {  421}
   (( segid "LIM1" and resid 17   and name HN  ))
   (( segid "LIM1" and resid 10   and name HN  ))
      3.900     1.900     1.900 peak   421 spectrum    1 weight  0.11000E+01 volume  0.87933E-03 ppm1      8.777 ppm2      8.249 CV     1
 ASSI {  422}
   (( segid "LIM1" and resid 10   and name HN  ))
   (( segid "LIM1" and resid 31   and name HN  ))
      4.600     2.600     1.400 peak   422 spectrum    1 weight  0.11000E+01 volume  0.60199E-03 ppm1      8.257 ppm2      8.519 CV     1
 ASSI {  424}
   (( segid "LIM1" and resid 10   and name HN  ))
   (( segid "LIM1" and resid 9    and name HG2 ))
      4.600     2.700     1.400 peak   424 spectrum    1 weight  0.11000E+01 volume  0.41727E-03 ppm1      8.257 ppm2      1.109 CV     1
 ASSI {  425}
   (( segid "LIM1" and resid 11   and name HN  ))
   (  segid "LIM1" and resid 30   and name HD% )
      3.500     3.500     2.500 peak   425 spectrum    1 weight  0.11000E+01 volume  0.57225E-03 ppm1      8.539 ppm2      7.121 CV     1
 ASSI {  426}
   (( segid "LIM1" and resid 11   and name HN  ))
   (  segid "LIM1" and resid 30   and name HE% )
      4.400     4.400     1.600 peak   426 spectrum    1 weight  0.11000E+01 volume  0.67239E-03 ppm1      8.544 ppm2      7.237 CV     1
 ASSI {  427}
   (( segid "LIM1" and resid 11   and name HN  ))
   (( segid "LIM1" and resid 9    and name HN  ))
      3.900     1.900     1.900 peak   427 spectrum    1 weight  0.11000E+01 volume  0.50713E-03 ppm1      8.539 ppm2      8.246 CV     1
 ASSI {  428}
   (( segid "LIM1" and resid 12   and name HN  ))
   (( segid "LIM1" and resid 10   and name HB2 ))
      4.400     2.500     1.600 peak   428 spectrum    1 weight  0.11000E+01 volume  0.43605E-03 ppm1      9.213 ppm2      2.327 CV     1
 ASSI {  429}
   (( segid "LIM1" and resid 12   and name HN  ))
   (( segid "LIM1" and resid 11   and name HA2 ))
      3.600     1.600     1.600 peak   429 spectrum    1 weight  0.11000E+01 volume  0.96415E-03 ppm1      9.210 ppm2      3.088 CV     1
 ASSI {  430}
   (( segid "LIM1" and resid 12   and name HN  ))
   (( segid "LIM1" and resid 10   and name HB1 ))
      3.700     1.800     1.800 peak   430 spectrum    1 weight  0.11000E+01 volume  0.52403E-03 ppm1      9.207 ppm2      3.393 CV     1
 ASSI {  431}
   (( segid "LIM1" and resid 12   and name HN  ))
   (( segid "LIM1" and resid 10   and name HA  ))
      3.700     1.700     1.700 peak   431 spectrum    1 weight  0.11000E+01 volume  0.82738E-03 ppm1      9.206 ppm2      4.047 CV     1
 ASSI {  432}
   (( segid "LIM1" and resid 12   and name HN  ))
   (( segid "LIM1" and resid 11   and name HA1 ))
      3.800     1.800     1.800 peak   432 spectrum    1 weight  0.11000E+01 volume  0.50088E-03 ppm1      9.206 ppm2      3.867 CV     1
 ASSI {  433}
   (( segid "LIM1" and resid 12   and name HN  ))
   (  segid "LIM1" and resid 30   and name HE% )
      3.700     3.700     2.300 peak   433 spectrum    1 weight  0.11000E+01 volume  0.13505E-02 ppm1      9.210 ppm2      7.224 CV     1
 ASSI {  435}
   (( segid "LIM1" and resid 18   and name HN  ))
   (( segid "LIM1" and resid 17   and name HB  ))
      4.600     2.700     1.400 peak   435 spectrum    1 weight  0.11000E+01 volume  0.37284E-03 ppm1      9.012 ppm2      1.001 CV     1
 ASSI {  436}
   (( segid "LIM1" and resid 18   and name HN  ))
   (( segid "LIM1" and resid 31   and name HD2 ))
      4.200     2.200     1.800 peak   436 spectrum    1 weight  0.11000E+01 volume  0.60760E-03 ppm1      8.999 ppm2      7.484 CV     1
 ASSI {  438}
   (( segid "LIM1" and resid 21   and name HN  ))
   (( segid "LIM1" and resid 22   and name HB1 ))
      4.100     2.100     1.900 peak   438 spectrum    1 weight  0.11000E+01 volume  0.61073E-03 ppm1      7.754 ppm2      2.024 CV     1
 ASSI {  439}
   (( segid "LIM1" and resid 22   and name HN  ))
   (( segid "LIM1" and resid 19   and name HA  ))
      3.600     1.600     1.600 peak   439 spectrum    1 weight  0.11000E+01 volume  0.87557E-03 ppm1      7.167 ppm2      4.193 CV     1
 ASSI {  441}
   (( segid "LIM1" and resid 23   and name HN  ))
   (  segid "LIM1" and resid 17   and name HG2%)
      4.800     4.800     1.200 peak   441 spectrum    1 weight  0.11000E+01 volume  0.31366E-03 ppm1      8.973 ppm2      0.129 CV     1
 ASSI {  442}
   (( segid "LIM1" and resid 24   and name HN  ))
   (( segid "LIM1" and resid 24   and name HG1 ))
      2.800     1.000     1.000 peak   442 spectrum    1 weight  0.11000E+01 volume  0.19477E-02 ppm1      8.441 ppm2      2.155 CV     1
 ASSI {  443}
   (( segid "LIM1" and resid 25   and name HN  ))
   (  segid "LIM1" and resid 30   and name HD% )
      3.500     1.500     1.500 peak   443 spectrum    1 weight  0.11000E+01 volume  0.67649E-03 ppm1      9.081 ppm2      7.125 CV     1
 ASSI {  444}
   (( segid "LIM1" and resid 25   and name HN  ))
   (  segid "LIM1" and resid 30   and name HE% )
      3.700     1.700     1.700 peak   444 spectrum    1 weight  0.11000E+01 volume  0.57316E-03 ppm1      9.074 ppm2      7.209 CV     1
 ASSI {  445}
   (( segid "LIM1" and resid 24   and name HE21))
   (( segid "LIM1" and resid 24   and name HA  ))
      4.800     2.900     1.200 peak   445 spectrum    1 weight  0.11000E+01 volume  0.26702E-03 ppm1      7.303 ppm2      5.219 CV     1
 ASSI {  448}
   (( segid "LIM1" and resid 30   and name HN  ))
   (( segid "LIM1" and resid 29   and name HB2 ))
      4.100     2.100     1.900 peak   448 spectrum    1 weight  0.11000E+01 volume  0.89781E-03 ppm1      8.855 ppm2      3.144 CV     1
 ASSI {  449}
   (( segid "LIM1" and resid 30   and name HN  ))
   (( segid "LIM1" and resid 22   and name HA  ))
      4.600     2.700     1.400 peak   449 spectrum    1 weight  0.11000E+01 volume  0.48646E-03 ppm1      8.863 ppm2      4.342 CV     1
 ASSI {  450}
   (( segid "LIM1" and resid 30   and name HN  ))
   (( segid "LIM1" and resid 29   and name HN  ))
      4.200     2.200     1.800 peak   450 spectrum    1 weight  0.11000E+01 volume  0.75066E-03 ppm1      8.870 ppm2      8.524 CV     1
 ASSI {  453}
   (( segid "LIM1" and resid 26   and name HD21))
   (( segid "LIM1" and resid 26   and name HN  ))
      4.800     2.800     1.200 peak   453 spectrum    1 weight  0.11000E+01 volume  0.31523E-03 ppm1      7.831 ppm2      9.595 CV     1
 ASSI {  454}
   (( segid "LIM1" and resid 31   and name HN  ))
   (( segid "LIM1" and resid 30   and name HB1 ))
      2.700     0.900     0.900 peak   454 spectrum    1 weight  0.11000E+01 volume  0.18698E-02 ppm1      8.562 ppm2      3.060 CV     1
 ASSI {  455}
   (( segid "LIM1" and resid 31   and name HN  ))
   (  segid "LIM1" and resid 30   and name HD% )
      4.500     2.500     1.500 peak   455 spectrum    1 weight  0.11000E+01 volume  0.39317E-03 ppm1      8.558 ppm2      7.123 CV     1
 ASSI {  456}
   (( segid "LIM1" and resid 31   and name HN  ))
   (( segid "LIM1" and resid 30   and name HN  ))
      4.400     2.400     1.600 peak   456 spectrum    1 weight  0.11000E+01 volume  0.40759E-03 ppm1      8.554 ppm2      8.854 CV     1
 ASSI {  457}
   (( segid "LIM1" and resid 32   and name HN  ))
   (( segid "LIM1" and resid 31   and name HD2 ))
      4.000     2.000     2.000 peak   457 spectrum    1 weight  0.11000E+01 volume  0.20817E-03 ppm1      9.296 ppm2      7.468 CV     1
 ASSI {  458}
   (( segid "LIM1" and resid 32   and name HN  ))
   (( segid "LIM1" and resid 23   and name HN  ))
      3.800     1.800     1.800 peak   458 spectrum    1 weight  0.11000E+01 volume  0.54251E-03 ppm1      9.293 ppm2      8.969 CV     1
 ASSI {  460}
   (( segid "LIM1" and resid 31   and name HN  ))
   (( segid "LIM1" and resid 32   and name HN  ))
      4.900     3.000     1.100 peak   460 spectrum    1 weight  0.11000E+01 volume  0.34058E-03 ppm1      8.570 ppm2      9.286 CV     1
 ASSI {  461}
   (( segid "LIM1" and resid 33   and name HN  ))
   (  segid "LIM1" and resid 33   and name HG2%)
      4.000     2.000     2.000 peak   461 spectrum    1 weight  0.11000E+01 volume  0.72969E-03 ppm1      8.207 ppm2      1.322 CV     1
 ASSI {  463}
   (( segid "LIM1" and resid 34   and name HN  ))
   (( segid "LIM1" and resid 33   and name HA  ))
      3.500     1.600     1.600 peak   463 spectrum    1 weight  0.11000E+01 volume  0.83111E-03 ppm1      7.625 ppm2      4.356 CV     1
 ASSI {  464}
   (( segid "LIM1" and resid 34   and name HN  ))
   (( segid "LIM1" and resid 32   and name HN  ))
      5.000     3.100     1.000 peak   464 spectrum    1 weight  0.11000E+01 volume  0.25638E-03 ppm1      7.620 ppm2      9.271 CV     1
 ASSI {  466}
   (( segid "LIM1" and resid 35   and name HN  ))
   (( segid "LIM1" and resid 32   and name HB2 ))
      3.400     3.400     2.600 peak   466 spectrum    1 weight  0.11000E+01 volume  0.22069E-03 ppm1      7.533 ppm2      1.812 CV     1
 ASSI {  467}
   (( segid "LIM1" and resid 35   and name HN  ))
   (( segid "LIM1" and resid 34   and name HB2 ))
      3.600     1.600     1.600 peak   467 spectrum    1 weight  0.11000E+01 volume  0.80637E-03 ppm1      7.532 ppm2      3.173 CV     1
 ASSI {  468}
   (( segid "LIM1" and resid 35   and name HN  ))
   (( segid "LIM1" and resid 32   and name HA  ))
      3.500     1.500     1.500 peak   468 spectrum    1 weight  0.11000E+01 volume  0.96791E-03 ppm1      7.530 ppm2      4.002 CV     1
 ASSI {  469}
   (( segid "LIM1" and resid 35   and name HN  ))
   (( segid "LIM1" and resid 33   and name HA  ))
      3.600     1.600     1.600 peak   469 spectrum    1 weight  0.11000E+01 volume  0.72408E-03 ppm1      7.531 ppm2      4.351 CV     1
 ASSI {  470}
   (( segid "LIM1" and resid 37   and name HN  ))
   (( segid "LIM1" and resid 36   and name HD2 ))
      4.300     2.300     1.700 peak   470 spectrum    1 weight  0.11000E+01 volume  0.21662E-03 ppm1      8.803 ppm2      6.564 CV     1
 ASSI {  471}
   (( segid "LIM1" and resid 37   and name HN  ))
   (( segid "LIM1" and resid 42   and name HN  ))
      3.400     1.400     1.400 peak   471 spectrum    1 weight  0.11000E+01 volume  0.12130E-02 ppm1      8.792 ppm2      8.524 CV     1
 ASSI {  473}
   (( segid "LIM1" and resid 38   and name HN  ))
   (( segid "LIM1" and resid 37   and name HN  ))
      3.900     1.900     1.900 peak   473 spectrum    1 weight  0.11000E+01 volume  0.75442E-03 ppm1      9.041 ppm2      8.819 CV     1
 ASSI {  474}
   (( segid "LIM1" and resid 38   and name HN  ))
   (( segid "LIM1" and resid 41   and name HA  ))
      4.000     2.000     2.000 peak   474 spectrum    1 weight  0.11000E+01 volume  0.15007E-02 ppm1      9.059 ppm2      4.087 CV     1
 ASSI {  475}
   (( segid "LIM1" and resid 39   and name HN  ))
   (( segid "LIM1" and resid 38   and name HG2 ))
      4.700     2.700     1.300 peak   475 spectrum    1 weight  0.11000E+01 volume  0.35342E-03 ppm1      9.322 ppm2      2.560 CV     1
 ASSI {  477}
   (( segid "LIM1" and resid 39   and name HN  ))
   (( segid "LIM1" and resid 37   and name HB1 ))
      3.700     1.700     1.700 peak   477 spectrum    1 weight  0.11000E+01 volume  0.35812E-03 ppm1      9.308 ppm2      3.380 CV     1
 ASSI {  478}
   (( segid "LIM1" and resid 39   and name HN  ))
   (( segid "LIM1" and resid 57   and name HA  ))
      4.400     2.500     1.600 peak   478 spectrum    1 weight  0.11000E+01 volume  0.24542E-03 ppm1      9.314 ppm2      5.919 CV     1
 ASSI {  479}
   (( segid "LIM1" and resid 39   and name HN  ))
   (( segid "LIM1" and resid 57   and name HB1 ))
      3.800     1.800     1.800 peak   479 spectrum    1 weight  0.11000E+01 volume  0.86679E-03 ppm1      9.331 ppm2      3.697 CV     1
 ASSI {  480}
   (( segid "LIM1" and resid 41   and name HN  ))
   (( segid "LIM1" and resid 41   and name HB1 ))
      3.500     1.500     1.500 peak   480 spectrum    1 weight  0.11000E+01 volume  0.58287E-03 ppm1      7.870 ppm2      2.113 CV     1
 ASSI {  481}
   (( segid "LIM1" and resid 41   and name HN  ))
   (( segid "LIM1" and resid 37   and name HB1 ))
      2.600     0.900     0.900 peak   481 spectrum    1 weight  0.11000E+01 volume  0.16985E-02 ppm1      7.859 ppm2      3.371 CV     1
 ASSI {  482}
   (( segid "LIM1" and resid 42   and name HN  ))
   (( segid "LIM1" and resid 42   and name HG1 ))
      3.600     1.600     1.600 peak   482 spectrum    1 weight  0.11000E+01 volume  0.16337E-02 ppm1      8.524 ppm2      1.497 CV     1
 ASSI {  483}
   (( segid "LIM1" and resid 42   and name HN  ))
   (( segid "LIM1" and resid 37   and name HB2 ))
      3.900     1.900     1.900 peak   483 spectrum    1 weight  0.11000E+01 volume  0.58727E-03 ppm1      8.528 ppm2      2.793 CV     1
 ASSI {  484}
   (( segid "LIM1" and resid 42   and name HN  ))
   (( segid "LIM1" and resid 37   and name HB1 ))
      2.900     1.100     1.100 peak   484 spectrum    1 weight  0.11000E+01 volume  0.12747E-02 ppm1      8.524 ppm2      3.367 CV     1
 ASSI {  485}
   (( segid "LIM1" and resid 42   and name HN  ))
   (( segid "LIM1" and resid 43   and name HN  ))
      3.800     1.800     1.800 peak   485 spectrum    1 weight  0.11000E+01 volume  0.12828E-02 ppm1      8.531 ppm2      8.692 CV     1
 ASSI {  486}
   (( segid "LIM1" and resid 44   and name HN  ))
   (  segid "LIM1" and resid 35   and name HD% )
      4.300     2.300     1.700 peak   486 spectrum    1 weight  0.11000E+01 volume  0.60071E-03 ppm1      7.643 ppm2      6.578 CV     1
 ASSI {  487}
   (( segid "LIM1" and resid 45   and name HN  ))
   (( segid "LIM1" and resid 45   and name HB1 ))
      4.900     3.000     1.100 peak   487 spectrum    1 weight  0.11000E+01 volume  0.23885E-03 ppm1      7.749 ppm2      3.189 CV     1
 ASSI {  488}
   (( segid "LIM1" and resid 45   and name HN  ))
   (  segid "LIM1" and resid 35   and name HD% )
      4.700     4.700     1.300 peak   488 spectrum    1 weight  0.11000E+01 volume  0.28236E-03 ppm1      7.736 ppm2      6.566 CV     1
 ASSI {  489}
   (( segid "LIM1" and resid 47   and name HN  ))
   (( segid "LIM1" and resid 47   and name HB  ))
      3.600     1.600     1.600 peak   489 spectrum    1 weight  0.11000E+01 volume  0.10994E-02 ppm1      8.980 ppm2      4.362 CV     1
 ASSI {  490}
   (( segid "LIM1" and resid 49   and name HN  ))
   (( segid "LIM1" and resid 44   and name HG  ))
      4.800     2.900     1.200 peak   490 spectrum    1 weight  0.11000E+01 volume  0.35906E-03 ppm1      7.426 ppm2     -0.157 CV     1
 ASSI {  491}
   (( segid "LIM1" and resid 49   and name HN  ))
   (( segid "LIM1" and resid 48   and name HA  ))
      2.900     1.100     1.100 peak   491 spectrum    1 weight  0.11000E+01 volume  0.18986E-02 ppm1      7.410 ppm2      4.467 CV     1
 ASSI {  492}
   (( segid "LIM1" and resid 50   and name HN  ))
   (  segid "LIM1" and resid 44   and name HD2%)
      5.200     3.400     0.800 peak   492 spectrum    1 weight  0.11000E+01 volume  0.24855E-03 ppm1      9.076 ppm2      1.278 CV     1
 ASSI {  493}
   (( segid "LIM1" and resid 50   and name HN  ))
   (( segid "LIM1" and resid 57   and name HB2 ))
      4.200     2.200     1.800 peak   493 spectrum    1 weight  0.11000E+01 volume  0.32869E-03 ppm1      9.072 ppm2      2.858 CV     1
 ASSI {  494}
   (( segid "LIM1" and resid 50   and name HN  ))
   (( segid "LIM1" and resid 51   and name HN  ))
      4.600     2.700     1.400 peak   494 spectrum    1 weight  0.11000E+01 volume  0.37597E-03 ppm1      9.091 ppm2      8.302 CV     1
 ASSI {  495}
   (( segid "LIM1" and resid 51   and name HN  ))
   (  segid "LIM1" and resid 62   and name HE% )
      4.300     4.300     1.700 peak   495 spectrum    1 weight  0.11000E+01 volume  0.33339E-03 ppm1      8.302 ppm2      6.637 CV     1
 ASSI {  496}
   (( segid "LIM1" and resid 55   and name HN  ))
   (( segid "LIM1" and resid 54   and name HB1 ))
      4.100     2.100     1.900 peak   496 spectrum    1 weight  0.11000E+01 volume  0.84052E-03 ppm1      8.702 ppm2      4.064 CV     1
 ASSI {  497}
   (( segid "LIM1" and resid 55   and name HN  ))
   (( segid "LIM1" and resid 26   and name HD22))
      4.300     2.400     1.700 peak   497 spectrum    1 weight  0.11000E+01 volume  0.43639E-03 ppm1      8.704 ppm2      6.846 CV     1
 ASSI {  498}
   (( segid "LIM1" and resid 55   and name HN  ))
   (( segid "LIM1" and resid 56   and name HN  ))
      4.600     2.600     1.400 peak   498 spectrum    1 weight  0.11000E+01 volume  0.40100E-03 ppm1      8.722 ppm2      7.608 CV     1
 ASSI {  500}
   (( segid "LIM1" and resid 19   and name HN  ))
   (( segid "LIM1" and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   500 spectrum    1 weight  0.11000E+01 volume  0.35080E-02 ppm1      8.573 ppm2      4.628 CV     1
 ASSI {  501}
   (( segid "LIM1" and resid 19   and name HN  ))
   (  segid "LIM1" and resid 18   and name HD% )
      4.500     2.500     1.500 peak   501 spectrum    1 weight  0.11000E+01 volume  0.67834E-03 ppm1      8.566 ppm2      7.184 CV     1
 ASSI {  502}
   (( segid "LIM1" and resid 19   and name HN  ))
   (( segid "LIM1" and resid 18   and name HB2 ))
      4.300     2.300     1.700 peak   502 spectrum    1 weight  0.11000E+01 volume  0.78917E-03 ppm1      8.568 ppm2      2.797 CV     1
 ASSI {  503}
   (( segid "LIM1" and resid 53   and name HN  ))
   (( segid "LIM1" and resid 53   and name HG1 ))
      3.800     1.800     1.800 peak   503 spectrum    1 weight  0.11000E+01 volume  0.72186E-03 ppm1      8.929 ppm2      1.868 CV     1
 ASSI {  504}
   (( segid "LIM1" and resid 53   and name HN  ))
   (( segid "LIM1" and resid 53   and name HB1 ))
      5.000     3.100     1.000 peak   504 spectrum    1 weight  0.11000E+01 volume  0.26827E-03 ppm1      8.940 ppm2      2.234 CV     1
 ASSI {  505}
   (( segid "LIM1" and resid 53   and name HN  ))
   (( segid "LIM1" and resid 53   and name HB2 ))
      3.800     1.800     1.800 peak   505 spectrum    1 weight  0.11000E+01 volume  0.62108E-03 ppm1      8.928 ppm2      1.958 CV     1
 ASSI {  506}
   (( segid "LIM1" and resid 53   and name HN  ))
   (( segid "LIM1" and resid 54   and name HA  ))
      2.900     2.900     3.100 peak   506 spectrum    1 weight  0.11000E+01 volume  0.40910E-02 ppm1      8.930 ppm2      4.587 CV     1
 ASSI {  507}
   (( segid "LIM1" and resid 53   and name HN  ))
   (( segid "LIM1" and resid 52   and name HN  ))
      4.300     2.300     1.700 peak   507 spectrum    1 weight  0.11000E+01 volume  0.47362E-03 ppm1      8.917 ppm2      8.597 CV     1
 ASSI {  508}
   (( segid "LIM1" and resid 16   and name HN  ))
   (( segid "LIM1" and resid 15   and name HG2 ))
      4.400     2.400     1.600 peak   508 spectrum    1 weight  0.11000E+01 volume  0.86367E-03 ppm1      8.441 ppm2      1.499 CV     1
 ASSI {  509}
   (( segid "LIM1" and resid 56   and name HN  ))
   (( segid "LIM1" and resid 38   and name HG1 ))
      3.500     1.600     1.600 peak   509 spectrum    1 weight  0.11000E+01 volume  0.65455E-03 ppm1      7.581 ppm2      2.900 CV     1
 ASSI {  510}
   (( segid "LIM1" and resid 56   and name HN  ))
   (  segid "LIM1" and resid 57   and name HE% )
      4.300     2.300     1.700 peak   510 spectrum    1 weight  0.11000E+01 volume  0.56630E-03 ppm1      7.608 ppm2      6.856 CV     1
 ASSI {  511}
   (( segid "LIM1" and resid 56   and name HN  ))
   (  segid "LIM1" and resid 57   and name HD% )
      3.700     1.700     1.700 peak   511 spectrum    1 weight  0.11000E+01 volume  0.64235E-03 ppm1      7.597 ppm2      7.264 CV     1
 ASSI {  512}
   (( segid "LIM1" and resid 58   and name HN  ))
   (  segid "LIM1" and resid 49   and name HG2%)
      3.300     3.300     2.700 peak   512 spectrum    1 weight  0.11000E+01 volume  0.27829E-03 ppm1      9.481 ppm2      0.714 CV     1
 ASSI {  513}
   (( segid "LIM1" and resid 58   and name HN  ))
   (( segid "LIM1" and resid 38   and name HN  ))
      3.900     1.900     1.900 peak   513 spectrum    1 weight  0.11000E+01 volume  0.61137E-03 ppm1      9.483 ppm2      9.061 CV     1
 ASSI {  515}
   (( segid "LIM1" and resid 59   and name HN  ))
   (( segid "LIM1" and resid 59   and name HG2 ))
      4.500     2.600     1.500 peak   515 spectrum    1 weight  0.11000E+01 volume  0.65831E-03 ppm1      8.687 ppm2      1.371 CV     1
 ASSI {  516}
   (( segid "LIM1" and resid 59   and name HN  ))
   (( segid "LIM1" and resid 48   and name HA  ))
      4.400     2.400     1.600 peak   516 spectrum    1 weight  0.11000E+01 volume  0.47019E-03 ppm1      8.698 ppm2      4.461 CV     1
 ASSI {  517}
   (( segid "LIM1" and resid 59   and name HN  ))
   (( segid "LIM1" and resid 50   and name HN  ))
      3.900     1.900     1.900 peak   517 spectrum    1 weight  0.11000E+01 volume  0.53841E-03 ppm1      8.695 ppm2      9.079 CV     1
 ASSI {  519}
   (( segid "LIM1" and resid 60   and name HN  ))
   (( segid "LIM1" and resid 58   and name HA  ))
      3.800     1.800     1.800 peak   519 spectrum    1 weight  0.11000E+01 volume  0.61385E-03 ppm1      7.867 ppm2      5.204 CV     1
 ASSI {  521}
   (( segid "LIM1" and resid 29   and name HN  ))
   (( segid "LIM1" and resid 28   and name HN  ))
      4.600     2.600     1.400 peak   521 spectrum    1 weight  0.11000E+01 volume  0.46579E-03 ppm1      8.476 ppm2      7.876 CV     1
 ASSI {  523}
   (( segid "LIM1" and resid 23   and name HN  ))
   (( segid "LIM1" and resid 23   and name HG12))
      4.500     2.500     1.500 peak   523 spectrum    1 weight  0.11000E+01 volume  0.40288E-03 ppm1      8.978 ppm2      0.738 CV     1
 ASSI {  525}
   (( segid "LIM1" and resid 62   and name HN  ))
   (( segid "LIM1" and resid 57   and name HA  ))
      3.200     3.200     2.800 peak   525 spectrum    1 weight  0.11000E+01 volume  0.28768E-03 ppm1      8.819 ppm2      5.917 CV     1
 ASSI {  526}
   (( segid "LIM1" and resid 62   and name HN  ))
   (  segid "LIM1" and resid 57   and name HD% )
      4.500     2.500     1.500 peak   526 spectrum    1 weight  0.11000E+01 volume  0.57632E-03 ppm1      8.816 ppm2      7.241 CV     1
 ASSI {  528}
   (( segid "LIM1" and resid 63   and name HN  ))
   (  segid "LIM1" and resid 50   and name HB% )
      3.200     3.200     2.800 peak   528 spectrum    1 weight  0.11000E+01 volume  0.34340E-03 ppm1      7.968 ppm2      0.728 CV     1
 ASSI {  529}
   (( segid "LIM1" and resid 63   and name HN  ))
   (( segid "LIM1" and resid 63   and name HA1 ))
      2.400     0.700     0.700 peak   529 spectrum    1 weight  0.11000E+01 volume  0.53592E-02 ppm1      7.966 ppm2      3.762 CV     1
 ASSI {  530}
   (( segid "LIM1" and resid 64   and name HN  ))
   (( segid "LIM1" and resid 62   and name HA  ))
      4.400     2.400     1.600 peak   530 spectrum    1 weight  0.11000E+01 volume  0.27641E-03 ppm1      7.403 ppm2      3.427 CV     1
 ASSI {  531}
   (( segid "LIM1" and resid 64   and name HN  ))
   (( segid "LIM1" and resid 63   and name HA1 ))
      2.800     1.000     1.000 peak   531 spectrum    1 weight  0.11000E+01 volume  0.28922E-02 ppm1      7.411 ppm2      3.761 CV     1
 ASSI {  532}
   (( segid "LIM1" and resid 64   and name HN  ))
   (( segid "LIM1" and resid 65   and name HN  ))
      2.500     0.800     0.800 peak   532 spectrum    1 weight  0.11000E+01 volume  0.41932E-02 ppm1      7.414 ppm2      7.231 CV     1
 ASSI {  534}
   (( segid "LIM1" and resid 65   and name HN  ))
   (( segid "LIM1" and resid 64   and name HA  ))
      3.400     1.500     1.500 peak   534 spectrum    1 weight  0.11000E+01 volume  0.11917E-02 ppm1      7.216 ppm2      3.965 CV     1
 ASSI {  535}
   (( segid "LIM1" and resid 66   and name HN  ))
   (( segid "LIM1" and resid 62   and name HA  ))
      3.600     1.700     1.700 peak   535 spectrum    1 weight  0.11000E+01 volume  0.76037E-03 ppm1      8.061 ppm2      3.417 CV     1
 ASSI {  537}
   (( segid "LIM1" and resid 67   and name HN  ))
   (( segid "LIM1" and resid 65   and name HN  ))
      3.700     1.700     1.700 peak   537 spectrum    1 weight  0.11000E+01 volume  0.82674E-03 ppm1      7.515 ppm2      7.215 CV     1
 ASSI {  538}
   (( segid "LIM1" and resid 69   and name HN  ))
   (( segid "LIM1" and resid 69   and name HG1 ))
      4.300     2.300     1.700 peak   538 spectrum    1 weight  0.11000E+01 volume  0.60824E-03 ppm1      8.411 ppm2      1.377 CV     1
 ASSI {  539}
   (( segid "LIM1" and resid 69   and name HN  ))
   (( segid "LIM1" and resid 70   and name HA1 ))
      4.200     2.200     1.800 peak   539 spectrum    1 weight  0.11000E+01 volume  0.62891E-03 ppm1      8.415 ppm2      3.884 CV     1
 ASSI {  540}
   (( segid "LIM1" and resid 71   and name HN  ))
   (( segid "LIM1" and resid 71   and name HG11))
      3.700     1.700     1.700 peak   540 spectrum    1 weight  0.11000E+01 volume  0.49523E-03 ppm1      7.961 ppm2      1.371 CV     1
 ASSI {  541}
   (( segid "LIM1" and resid 72   and name HN  ))
   (( segid "LIM1" and resid 73   and name HA  ))
      4.100     2.100     1.900 peak   541 spectrum    1 weight  0.11000E+01 volume  0.63422E-03 ppm1      8.433 ppm2      4.476 CV     1
 ASSI {  542}
   (( segid "LIM1" and resid 72   and name HN  ))
   (( segid "LIM1" and resid 73   and name HN  ))
      3.500     1.600     1.600 peak   542 spectrum    1 weight  0.11000E+01 volume  0.99829E-03 ppm1      8.455 ppm2      7.989 CV     1
 ASSI {  544}
   (( segid "LIM1" and resid 19   and name HN  ))
   (( segid "LIM1" and resid 19   and name HA  ))
      3.000     1.100     1.100 peak   544 spectrum    1 weight  0.11000E+01 volume  0.17086E-02 ppm1      8.555 ppm2      4.190 CV     1
 ASSI {  545}
   (( segid "LIM1" and resid 67   and name HN  ))
   (( segid "LIM1" and resid 67   and name HA1 ))
      2.600     0.900     0.900 peak   545 spectrum    1 weight  0.11000E+01 volume  0.48142E-02 ppm1      7.514 ppm2      4.085 CV     1
 ASSI {  546}
   (( segid "LIM1" and resid 15   and name HN  ))
   (( segid "LIM1" and resid 31   and name HE1 ))
      4.500     2.500     1.500 peak   546 spectrum    1 weight  0.11000E+01 volume  0.95820E-03 ppm1      8.256 ppm2      7.176 CV     1
 ASSI {  547}
   (( segid "LIM1" and resid 13   and name HN  ))
   (( segid "LIM1" and resid 10   and name HB2 ))
      4.100     2.100     1.900 peak   547 spectrum    1 weight  0.11000E+01 volume  0.10299E-02 ppm1      8.085 ppm2      2.298 CV     1
 ASSI {  548}
   (( segid "LIM1" and resid 18   and name HN  ))
   (( segid "LIM1" and resid 21   and name HB2 ))
      4.200     2.200     1.800 peak   548 spectrum    1 weight  0.11000E+01 volume  0.63422E-03 ppm1      9.010 ppm2      2.293 CV     1
 ASSI {  549}
   (( segid "LIM1" and resid 18   and name HN  ))
   (( segid "LIM1" and resid 21   and name HB1 ))
      4.700     2.800     1.300 peak   549 spectrum    1 weight  0.11000E+01 volume  0.35624E-03 ppm1      9.009 ppm2      2.448 CV     1
 ASSI {  550}
   (( segid "LIM1" and resid 55   and name HN  ))
   (( segid "LIM1" and resid 53   and name HB1 ))
      4.700     2.700     1.300 peak   550 spectrum    1 weight  0.11000E+01 volume  0.94913E-03 ppm1      8.704 ppm2      2.230 CV     1
 ASSI {  551}
   (( segid "LIM1" and resid 55   and name HN  ))
   (( segid "LIM1" and resid 53   and name HG1 ))
      2.900     2.900     3.100 peak   551 spectrum    1 weight  0.11000E+01 volume  0.51432E-03 ppm1      8.705 ppm2      1.799 CV     1
 ASSI {  552}
   (( segid "LIM1" and resid 22   and name HN  ))
   (( segid "LIM1" and resid 21   and name HB1 ))
      5.500     3.700     0.500 peak   552 spectrum    1 weight  0.11000E+01 volume  0.26577E-03 ppm1      7.177 ppm2      2.490 CV     1
 ASSI {  554}
   (( segid "LIM1" and resid 23   and name HN  ))
   (( segid "LIM1" and resid 31   and name HA  ))
      3.800     1.800     1.800 peak   554 spectrum    1 weight  0.11000E+01 volume  0.62390E-03 ppm1      8.974 ppm2      4.674 CV     1
 ASSI {  555}
   (( segid "LIM1" and resid 25   and name HN  ))
   (( segid "LIM1" and resid 29   and name HA  ))
      3.800     1.800     1.800 peak   555 spectrum    1 weight  0.11000E+01 volume  0.11282E-02 ppm1      9.077 ppm2      4.857 CV     1
 ASSI {  556}
   (( segid "LIM1" and resid 26   and name HD21))
   (( segid "LIM1" and resid 54   and name HA  ))
      3.800     1.800     1.800 peak   556 spectrum    1 weight  0.11000E+01 volume  0.38817E-03 ppm1      7.797 ppm2      4.615 CV     1
 ASSI {  557}
   (( segid "LIM1" and resid 28   and name HN  ))
   (( segid "LIM1" and resid 28   and name HG1 ))
      2.700     0.900     0.900 peak   557 spectrum    1 weight  0.11000E+01 volume  0.29723E-02 ppm1      7.893 ppm2      1.613 CV     1
 OR {  557}
   (( segid "LIM1" and resid 28   and name HN  ))
   (( segid "LIM1" and resid 28   and name HB2 ))
 ASSI {  558}
   (( segid "LIM1" and resid 30   and name HN  ))
   (  segid "LIM1" and resid 17   and name HG2%)
      4.600     4.600     1.400 peak   558 spectrum    1 weight  0.11000E+01 volume  0.23447E-03 ppm1      8.869 ppm2      0.116 CV     1
 ASSI {  559}
   (( segid "LIM1" and resid 31   and name HN  ))
   (( segid "LIM1" and resid 34   and name HB1 ))
      4.300     2.400     1.700 peak   559 spectrum    1 weight  0.11000E+01 volume  0.12437E-02 ppm1      8.561 ppm2      3.443 CV     1
 ASSI {  560}
   (( segid "LIM1" and resid 35   and name HN  ))
   (( segid "LIM1" and resid 32   and name HG1 ))
      5.100     3.300     0.900 peak   560 spectrum    1 weight  0.11000E+01 volume  0.18438E-03 ppm1      7.531 ppm2      1.381 CV     1
 ASSI {  561}
   (( segid "LIM1" and resid 38   and name HN  ))
   (( segid "LIM1" and resid 44   and name HG  ))
      4.100     2.100     1.900 peak   561 spectrum    1 weight  0.11000E+01 volume  0.46361E-03 ppm1      9.049 ppm2     -0.201 CV     1
 ASSI {  562}
   (( segid "LIM1" and resid 39   and name HN  ))
   (( segid "LIM1" and resid 38   and name HB2 ))
      3.700     1.700     1.700 peak   562 spectrum    1 weight  0.11000E+01 volume  0.61231E-03 ppm1      9.309 ppm2      1.567 CV     1
 ASSI {  563}
   (( segid "LIM1" and resid 40   and name HN  ))
   (( segid "LIM1" and resid 57   and name HA  ))
      5.000     3.100     1.000 peak   563 spectrum    1 weight  0.11000E+01 volume  0.23666E-03 ppm1      8.856 ppm2      5.867 CV     1
 ASSI {  564}
   (( segid "LIM1" and resid 40   and name HN  ))
   (( segid "LIM1" and resid 38   and name HN  ))
      4.200     2.200     1.800 peak   564 spectrum    1 weight  0.11000E+01 volume  0.80637E-03 ppm1      8.860 ppm2      9.007 CV     1
 ASSI {  565}
   (( segid "LIM1" and resid 44   and name HN  ))
   (( segid "LIM1" and resid 36   and name HB1 ))
      3.600     1.600     1.600 peak   565 spectrum    1 weight  0.11000E+01 volume  0.33589E-03 ppm1      7.657 ppm2      2.511 CV     1
 ASSI {  567}
   (( segid "LIM1" and resid 50   and name HN  ))
   (( segid "LIM1" and resid 58   and name HN  ))
      4.600     2.600     1.400 peak   567 spectrum    1 weight  0.11000E+01 volume  0.23353E-03 ppm1      9.090 ppm2      9.467 CV     1
 ASSI {  568}
   (( segid "LIM1" and resid 51   and name HN  ))
   (  segid "LIM1" and resid 56   and name HG2%)
      4.800     4.800     1.200 peak   568 spectrum    1 weight  0.11000E+01 volume  0.43827E-03 ppm1      8.281 ppm2      0.292 CV     1
 ASSI {  569}
   (( segid "LIM1" and resid 59   and name HN  ))
   (( segid "LIM1" and resid 49   and name HA  ))
      4.800     2.900     1.200 peak   569 spectrum    1 weight  0.11000E+01 volume  0.25638E-03 ppm1      8.706 ppm2      4.271 CV     1
 ASSI {  570}
   (( segid "LIM1" and resid 62   and name HN  ))
   (( segid "LIM1" and resid 59   and name HB1 ))
      4.700     2.800     1.300 peak   570 spectrum    1 weight  0.11000E+01 volume  0.23134E-03 ppm1      8.823 ppm2      1.804 CV     1
 ASSI {  571}
   (( segid "LIM1" and resid 67   and name HN  ))
   (( segid "LIM1" and resid 65   and name HB2 ))
      3.300     3.300     2.700 peak   571 spectrum    1 weight  0.11000E+01 volume  0.27328E-03 ppm1      7.524 ppm2      0.595 CV     1
 ASSI {  572}
   (( segid "LIM1" and resid 35   and name HN  ))
   (  segid "LIM1" and resid 23   and name HG2%)
      5.400     5.400     0.600 peak   572 spectrum    1 weight  0.11000E+01 volume  0.26984E-03 ppm1      7.541 ppm2     -0.034 CV     1
 ASSI {    1}
   (  segid "LIM1" and resid 56   and name HD1%)
   (  segid "LIM1" and resid 30   and name HE% )
      2.400     2.400     3.600 peak     1 spectrum    2 weight  0.11000E+01 volume  0.18180E-02 ppm1     -0.092 ppm2      7.222 CV     1
 ASSI {    2}
   (  segid "LIM1" and resid 56   and name HD1%)
   (  segid "LIM1" and resid 35   and name HD% )
      2.400     2.400     3.600 peak     2 spectrum    2 weight  0.11000E+01 volume  0.44509E-02 ppm1     -0.097 ppm2      6.543 CV     1
 ASSI {    3}
   (  segid "LIM1" and resid 56   and name HD1%)
   (  segid "LIM1" and resid 35   and name HE% )
      2.800     2.800     3.200 peak     3 spectrum    2 weight  0.11000E+01 volume  0.20123E-02 ppm1     -0.095 ppm2      6.394 CV     1
 ASSI {    7}
   (( segid "LIM1" and resid 35   and name HA  ))
   (  segid "LIM1" and resid 35   and name HD% )
      2.500     2.500     3.500 peak     7 spectrum    2 weight  0.11000E+01 volume  0.56126E-02 ppm1      4.157 ppm2      6.541 CV     1
 ASSI {    8}
   (( segid "LIM1" and resid 34   and name HA  ))
   (( segid "LIM1" and resid 36   and name HE1 ))
      3.900     3.900     2.100 peak     8 spectrum    2 weight  0.11000E+01 volume  0.80728E-03 ppm1      4.479 ppm2      7.786 CV     1
 ASSI {   10}
   (  segid "LIM1" and resid 56   and name HG2%)
   (  segid "LIM1" and resid 35   and name HE% )
      3.200     3.200     2.800 peak    10 spectrum    2 weight  0.11000E+01 volume  0.19296E-02 ppm1      0.277 ppm2      6.396 CV     1
 ASSI {   11}
   (  segid "LIM1" and resid 56   and name HD1%)
   (( segid "LIM1" and resid 35   and name HZ  ))
      3.700     1.700     1.700 peak    11 spectrum    2 weight  0.11000E+01 volume  0.47490E-03 ppm1     -0.091 ppm2      6.834 CV     1
 ASSI {   12}
   (  segid "LIM1" and resid 56   and name HG2%)
   (( segid "LIM1" and resid 35   and name HZ  ))
      4.400     4.400     1.600 peak    12 spectrum    2 weight  0.11000E+01 volume  0.71174E-03 ppm1      0.287 ppm2      6.831 CV     1
 ASSI {   13}
   (  segid "LIM1" and resid 56   and name HG2%)
   (  segid "LIM1" and resid 30   and name HD% )
      3.600     1.600     1.600 peak    13 spectrum    2 weight  0.11000E+01 volume  0.65542E-03 ppm1      0.279 ppm2      7.113 CV     1
 ASSI {   16}
   (  segid "LIM1" and resid 56   and name HG2%)
   (( segid "LIM1" and resid 25   and name HB2 ))
      3.600     1.700     1.700 peak    16 spectrum    2 weight  0.11000E+01 volume  0.10799E-02 ppm1      0.284 ppm2      2.559 CV     1
 ASSI {   18}
   (  segid "LIM1" and resid 56   and name HG2%)
   (( segid "LIM1" and resid 56   and name HG11))
      3.700     1.700     1.700 peak    18 spectrum    2 weight  0.11000E+01 volume  0.15614E-02 ppm1      0.275 ppm2      1.390 CV     1
 ASSI {   19}
   (  segid "LIM1" and resid 56   and name HG2%)
   (  segid "LIM1" and resid 51   and name HB% )
      2.200     2.200     3.800 peak    19 spectrum    2 weight  0.11000E+01 volume  0.28531E-02 ppm1      0.273 ppm2      1.268 CV     1
 ASSI {   20}
   (  segid "LIM1" and resid 56   and name HG2%)
   (( segid "LIM1" and resid 56   and name HB  ))
      2.300     0.700     0.700 peak    20 spectrum    2 weight  0.11000E+01 volume  0.53831E-02 ppm1      0.278 ppm2      0.935 CV     1
 ASSI {   21}
   (  segid "LIM1" and resid 56   and name HG2%)
   (  segid "LIM1" and resid 49   and name HG2%)
      3.400     3.400     2.600 peak    21 spectrum    2 weight  0.11000E+01 volume  0.48034E-02 ppm1      0.275 ppm2      0.716 CV     1
 ASSI {   22}
   (  segid "LIM1" and resid 56   and name HG2%)
   (( segid "LIM1" and resid 56   and name HA  ))
      2.500     0.800     0.800 peak    22 spectrum    2 weight  0.11000E+01 volume  0.89317E-02 ppm1      0.278 ppm2      4.406 CV     1
 ASSI {   23}
   (  segid "LIM1" and resid 56   and name HG2%)
   (( segid "LIM1" and resid 25   and name HB1 ))
      3.500     1.600     1.600 peak    23 spectrum    2 weight  0.11000E+01 volume  0.46546E-03 ppm1      0.275 ppm2      2.792 CV     1
 ASSI {   24}
   (( segid "LIM1" and resid 30   and name HB1 ))
   (  segid "LIM1" and resid 35   and name HD% )
      3.800     3.800     2.200 peak    24 spectrum    2 weight  0.11000E+01 volume  0.11797E-02 ppm1      3.019 ppm2      6.544 CV     1
 ASSI {   25}
   (( segid "LIM1" and resid 30   and name HB1 ))
   (  segid "LIM1" and resid 30   and name HD% )
      2.700     0.900     0.900 peak    25 spectrum    2 weight  0.11000E+01 volume  0.33546E-02 ppm1      3.025 ppm2      7.106 CV     1
 ASSI {   26}
   (( segid "LIM1" and resid 30   and name HB1 ))
   (  segid "LIM1" and resid 30   and name HE% )
      3.800     1.800     1.800 peak    26 spectrum    2 weight  0.11000E+01 volume  0.17251E-02 ppm1      3.038 ppm2      7.216 CV     1
 ASSI {   27}
   (( segid "LIM1" and resid 30   and name HB2 ))
   (  segid "LIM1" and resid 35   and name HD% )
      2.800     2.800     3.200 peak    27 spectrum    2 weight  0.11000E+01 volume  0.11509E-02 ppm1      2.493 ppm2      6.544 CV     1
 ASSI {   28}
   (( segid "LIM1" and resid 30   and name HB2 ))
   (  segid "LIM1" and resid 30   and name HE% )
      4.400     2.400     1.600 peak    28 spectrum    2 weight  0.11000E+01 volume  0.78181E-03 ppm1      2.511 ppm2      7.198 CV     1
 ASSI {   29}
   (( segid "LIM1" and resid 30   and name HB2 ))
   (  segid "LIM1" and resid 30   and name HD% )
      2.600     0.900     0.900 peak    29 spectrum    2 weight  0.11000E+01 volume  0.26844E-02 ppm1      2.494 ppm2      7.109 CV     1
 ASSI {   30}
   (  segid "LIM1" and resid 44   and name HD1%)
   (( segid "LIM1" and resid 58   and name HB2 ))
      2.800     1.000     1.000 peak    30 spectrum    2 weight  0.11000E+01 volume  0.47174E-02 ppm1      0.450 ppm2      2.767 CV     1
 ASSI {   31}
   (( segid "LIM1" and resid 4    and name HB1 ))
   (( segid "LIM1" and resid 4    and name HA  ))
      2.500     0.800     0.800 peak    31 spectrum    2 weight  0.11000E+01 volume  0.73288E-02 ppm1      3.195 ppm2      4.617 CV     1
 ASSI {   32}
   (( segid "LIM1" and resid 4    and name HB1 ))
   (( segid "LIM1" and resid 4    and name HD1 ))
      2.900     1.000     1.000 peak    32 spectrum    2 weight  0.11000E+01 volume  0.25634E-02 ppm1      3.200 ppm2      7.166 CV     1
 ASSI {   33}
   (( segid "LIM1" and resid 4    and name HB1 ))
   (( segid "LIM1" and resid 4    and name HE3 ))
      3.600     1.600     1.600 peak    33 spectrum    2 weight  0.11000E+01 volume  0.25300E-02 ppm1      3.208 ppm2      7.521 CV     1
 ASSI {   34}
   (  segid "LIM1" and resid 50   and name HB% )
   (( segid "LIM1" and resid 50   and name HA  ))
      2.100     0.600     0.600 peak    34 spectrum    2 weight  0.11000E+01 volume  0.14477E-01 ppm1      0.691 ppm2      4.246 CV     1
 ASSI {   35}
   (( segid "LIM1" and resid 8    and name HA  ))
   (  segid "LIM1" and resid 8    and name HB% )
      2.300     0.600     0.600 peak    35 spectrum    2 weight  0.11000E+01 volume  0.11431E-01 ppm1      4.273 ppm2      1.136 CV     1
 ASSI {   37}
   (  segid "LIM1" and resid 8    and name HB% )
   (( segid "LIM1" and resid 29   and name HB2 ))
      2.400     2.400     3.600 peak    37 spectrum    2 weight  0.11000E+01 volume  0.56731E-02 ppm1      1.135 ppm2      3.125 CV     1
 ASSI {   38}
   (  segid "LIM1" and resid 8    and name HB% )
   (( segid "LIM1" and resid 29   and name HB1 ))
      3.000     3.000     3.000 peak    38 spectrum    2 weight  0.11000E+01 volume  0.33628E-02 ppm1      1.135 ppm2      3.344 CV     1
 ASSI {   41}
   (( segid "LIM1" and resid 9    and name HA  ))
   (( segid "LIM1" and resid 9    and name HB1 ))
      2.300     0.700     0.700 peak    41 spectrum    2 weight  0.11000E+01 volume  0.51244E-02 ppm1      3.969 ppm2      1.428 CV     1
 ASSI {   45}
   (( segid "LIM1" and resid 9    and name HB2 ))
   (( segid "LIM1" and resid 9    and name HA  ))
      2.300     0.700     0.700 peak    45 spectrum    2 weight  0.11000E+01 volume  0.54006E-02 ppm1      1.250 ppm2      3.975 CV     1
 ASSI {   46}
   (( segid "LIM1" and resid 9    and name HG2 ))
   (( segid "LIM1" and resid 9    and name HA  ))
      3.000     1.200     1.200 peak    46 spectrum    2 weight  0.11000E+01 volume  0.25984E-02 ppm1      1.055 ppm2      3.977 CV     1
 ASSI {   47}
   (( segid "LIM1" and resid 9    and name HG1 ))
   (( segid "LIM1" and resid 9    and name HA  ))
      2.900     1.100     1.100 peak    47 spectrum    2 weight  0.11000E+01 volume  0.37798E-02 ppm1      1.181 ppm2      3.973 CV     1
 ASSI {   48}
   (( segid "LIM1" and resid 9    and name HB1 ))
   (( segid "LIM1" and resid 9    and name HB2 ))
      1.700     0.400     0.500 peak    48 spectrum    2 weight  0.11000E+01 volume  0.14884E-01 ppm1      1.428 ppm2      1.248 CV     1
 ASSI {   50}
   (( segid "LIM1" and resid 9    and name HB1 ))
   (( segid "LIM1" and resid 9    and name HG2 ))
      2.500     0.800     0.800 peak    50 spectrum    2 weight  0.11000E+01 volume  0.37079E-02 ppm1      1.430 ppm2      1.078 CV     1
 ASSI {   51}
   (( segid "LIM1" and resid 9    and name HB2 ))
   (( segid "LIM1" and resid 9    and name HG2 ))
      2.900     1.000     1.000 peak    51 spectrum    2 weight  0.11000E+01 volume  0.45386E-02 ppm1      1.242 ppm2      1.078 CV     1
 ASSI {   54}
   (( segid "LIM1" and resid 9    and name HE1 ))
   (( segid "LIM1" and resid 9    and name HG2 ))
      3.200     1.300     1.300 peak    54 spectrum    2 weight  0.11000E+01 volume  0.34176E-02 ppm1      2.829 ppm2      1.071 CV     1
 ASSI {   55}
   (( segid "LIM1" and resid 9    and name HE1 ))
   (( segid "LIM1" and resid 9    and name HG1 ))
      2.800     1.000     1.000 peak    55 spectrum    2 weight  0.11000E+01 volume  0.39680E-02 ppm1      2.835 ppm2      1.175 CV     1
 ASSI {   56}
   (( segid "LIM1" and resid 10   and name HA  ))
   (  segid "LIM1" and resid 17   and name HG2%)
      2.700     0.900     0.900 peak    56 spectrum    2 weight  0.11000E+01 volume  0.29376E-02 ppm1      4.027 ppm2      0.120 CV     1
 ASSI {   58}
   (( segid "LIM1" and resid 10   and name HA  ))
   (  segid "LIM1" and resid 17   and name HG1%)
      3.900     1.900     1.900 peak    58 spectrum    2 weight  0.11000E+01 volume  0.11052E-02 ppm1      4.030 ppm2      0.417 CV     1
 ASSI {   60}
   (( segid "LIM1" and resid 10   and name HA  ))
   (( segid "LIM1" and resid 10   and name HB2 ))
      2.300     0.600     0.600 peak    60 spectrum    2 weight  0.11000E+01 volume  0.61879E-02 ppm1      3.999 ppm2      2.273 CV     1
 ASSI {   61}
   (( segid "LIM1" and resid 10   and name HA  ))
   (( segid "LIM1" and resid 10   and name HB1 ))
      3.100     1.200     1.200 peak    61 spectrum    2 weight  0.11000E+01 volume  0.24789E-02 ppm1      4.028 ppm2      3.357 CV     1
 ASSI {   62}
   (( segid "LIM1" and resid 10   and name HA  ))
   (( segid "LIM1" and resid 30   and name HA  ))
      2.700     0.900     0.900 peak    62 spectrum    2 weight  0.11000E+01 volume  0.35681E-02 ppm1      4.023 ppm2      5.682 CV     1
 ASSI {   67}
   (  segid "LIM1" and resid 17   and name HG2%)
   (( segid "LIM1" and resid 10   and name HB1 ))
      3.800     1.800     1.800 peak    67 spectrum    2 weight  0.11000E+01 volume  0.24608E-02 ppm1      0.121 ppm2      3.359 CV     1
 ASSI {   68}
   (( segid "LIM1" and resid 10   and name HB1 ))
   (  segid "LIM1" and resid 17   and name HG1%)
      5.300     5.300     0.700 peak    68 spectrum    2 weight  0.11000E+01 volume  0.61983E-03 ppm1      3.347 ppm2      0.418 CV     1
 ASSI {   69}
   (( segid "LIM1" and resid 10   and name HB1 ))
   (( segid "LIM1" and resid 10   and name HB2 ))
      2.000     0.500     0.500 peak    69 spectrum    2 weight  0.11000E+01 volume  0.67306E-02 ppm1      3.361 ppm2      2.287 CV     1
 ASSI {   71}
   (( segid "LIM1" and resid 10   and name HB1 ))
   (( segid "LIM1" and resid 31   and name HE1 ))
      3.700     1.700     1.700 peak    71 spectrum    2 weight  0.11000E+01 volume  0.15912E-02 ppm1      3.359 ppm2      7.150 CV     1
 ASSI {   74}
   (  segid "LIM1" and resid 17   and name HG2%)
   (( segid "LIM1" and resid 10   and name HB2 ))
      2.500     0.800     0.800 peak    74 spectrum    2 weight  0.11000E+01 volume  0.31282E-02 ppm1      0.121 ppm2      2.283 CV     1
 ASSI {   75}
   (  segid "LIM1" and resid 17   and name HG1%)
   (( segid "LIM1" and resid 10   and name HB2 ))
      3.800     1.800     1.800 peak    75 spectrum    2 weight  0.11000E+01 volume  0.20521E-02 ppm1      0.412 ppm2      2.267 CV     1
 ASSI {   78}
   (( segid "LIM1" and resid 30   and name HA  ))
   (( segid "LIM1" and resid 10   and name HB1 ))
      4.600     2.600     1.400 peak    78 spectrum    2 weight  0.11000E+01 volume  0.64295E-03 ppm1      5.674 ppm2      3.348 CV     1
 ASSI {   79}
   (( segid "LIM1" and resid 10   and name HB2 ))
   (( segid "LIM1" and resid 30   and name HA  ))
      4.500     2.500     1.500 peak    79 spectrum    2 weight  0.11000E+01 volume  0.44788E-03 ppm1      2.291 ppm2      5.670 CV     1
 ASSI {   81}
   (( segid "LIM1" and resid 10   and name HB2 ))
   (( segid "LIM1" and resid 31   and name HE1 ))
      3.100     1.200     1.200 peak    81 spectrum    2 weight  0.11000E+01 volume  0.15005E-02 ppm1      2.289 ppm2      7.156 CV     1
 ASSI {   83}
   (( segid "LIM1" and resid 11   and name HA1 ))
   (( segid "LIM1" and resid 11   and name HA2 ))
      2.000     0.500     0.500 peak    83 spectrum    2 weight  0.11000E+01 volume  0.83043E-02 ppm1      3.796 ppm2      3.062 CV     1
 ASSI {   85}
   (( segid "LIM1" and resid 11   and name HA2 ))
   (  segid "LIM1" and resid 30   and name HE% )
      4.700     4.700     1.300 peak    85 spectrum    2 weight  0.11000E+01 volume  0.97987E-03 ppm1      3.058 ppm2      7.221 CV     1
 ASSI {   86}
   (( segid "LIM1" and resid 11   and name HA1 ))
   (  segid "LIM1" and resid 30   and name HE% )
      3.200     3.200     2.800 peak    86 spectrum    2 weight  0.11000E+01 volume  0.78141E-03 ppm1      3.775 ppm2      7.232 CV     1
 ASSI {   87}
   (( segid "LIM1" and resid 12   and name HA  ))
   (  segid "LIM1" and resid 12   and name HB% )
      2.500     0.800     0.800 peak    87 spectrum    2 weight  0.11000E+01 volume  0.68604E-02 ppm1      4.818 ppm2      1.781 CV     1
 ASSI {   88}
   (( segid "LIM1" and resid 36   and name HA  ))
   (  segid "LIM1" and resid 38   and name HE% )
      3.100     3.100     2.900 peak    88 spectrum    2 weight  0.11000E+01 volume  0.22820E-02 ppm1      4.821 ppm2      2.329 CV     1
 ASSI {   89}
   (  segid "LIM1" and resid 12   and name HB% )
   (  segid "LIM1" and resid 38   and name HE% )
      2.500     2.500     3.500 peak    89 spectrum    2 weight  0.11000E+01 volume  0.60068E-02 ppm1      1.774 ppm2      2.329 CV     1
 ASSI {   93}
   (( segid "LIM1" and resid 34   and name HB2 ))
   (  segid "LIM1" and resid 12   and name HB% )
      3.100     1.200     1.200 peak    93 spectrum    2 weight  0.11000E+01 volume  0.15027E-02 ppm1      3.156 ppm2      1.774 CV     1
 ASSI {   94}
   (( segid "LIM1" and resid 34   and name HB1 ))
   (  segid "LIM1" and resid 12   and name HB% )
      2.900     1.100     1.100 peak    94 spectrum    2 weight  0.11000E+01 volume  0.30047E-02 ppm1      3.449 ppm2      1.775 CV     1
 ASSI {   96}
   (  segid "LIM1" and resid 12   and name HB% )
   (  segid "LIM1" and resid 30   and name HD% )
      2.700     2.700     3.300 peak    96 spectrum    2 weight  0.11000E+01 volume  0.47003E-02 ppm1      1.773 ppm2      7.108 CV     1
 ASSI {   97}
   (  segid "LIM1" and resid 12   and name HB% )
   (  segid "LIM1" and resid 30   and name HE% )
      2.700     2.700     3.300 peak    97 spectrum    2 weight  0.11000E+01 volume  0.65519E-02 ppm1      1.786 ppm2      7.236 CV     1
 ASSI {   98}
   (( segid "LIM1" and resid 12   and name HA  ))
   (  segid "LIM1" and resid 30   and name HD% )
      4.200     4.200     1.800 peak    98 spectrum    2 weight  0.11000E+01 volume  0.48350E-03 ppm1      4.828 ppm2      7.088 CV     1
 ASSI {   99}
   (( segid "LIM1" and resid 12   and name HA  ))
   (  segid "LIM1" and resid 30   and name HE% )
      4.000     4.000     2.000 peak    99 spectrum    2 weight  0.11000E+01 volume  0.45769E-03 ppm1      4.822 ppm2      7.231 CV     1
 ASSI {  102}
   (( segid "LIM1" and resid 13   and name HA  ))
   (( segid "LIM1" and resid 13   and name HB1 ))
      2.900     1.100     1.100 peak   102 spectrum    2 weight  0.11000E+01 volume  0.28490E-02 ppm1      4.930 ppm2      3.293 CV     1
 ASSI {  103}
   (( segid "LIM1" and resid 13   and name HA  ))
   (( segid "LIM1" and resid 13   and name HB2 ))
      2.900     1.000     1.000 peak   103 spectrum    2 weight  0.11000E+01 volume  0.20626E-02 ppm1      4.951 ppm2      2.958 CV     1
 ASSI {  104}
   (( segid "LIM1" and resid 13   and name HB2 ))
   (( segid "LIM1" and resid 13   and name HB1 ))
      2.100     0.500     0.500 peak   104 spectrum    2 weight  0.11000E+01 volume  0.56832E-02 ppm1      2.956 ppm2      3.296 CV     1
 ASSI {  106}
   (( segid "LIM1" and resid 14   and name HA  ))
   (( segid "LIM1" and resid 14   and name HG1 ))
      2.600     0.800     0.800 peak   106 spectrum    2 weight  0.11000E+01 volume  0.69460E-02 ppm1      3.982 ppm2      2.090 CV     1
 ASSI {  107}
   (( segid "LIM1" and resid 14   and name HB1 ))
   (( segid "LIM1" and resid 14   and name HA  ))
      2.500     0.800     0.800 peak   107 spectrum    2 weight  0.11000E+01 volume  0.50319E-02 ppm1      2.262 ppm2      3.980 CV     1
 ASSI {  108}
   (( segid "LIM1" and resid 14   and name HB1 ))
   (( segid "LIM1" and resid 14   and name HG1 ))
      2.200     0.600     0.600 peak   108 spectrum    2 weight  0.11000E+01 volume  0.16148E-01 ppm1      2.255 ppm2      2.095 CV     1
 ASSI {  110}
   (( segid "LIM1" and resid 14   and name HG1 ))
   (( segid "LIM1" and resid 9    and name HE1 ))
      2.800     2.800     3.200 peak   110 spectrum    2 weight  0.11000E+01 volume  0.70502E-03 ppm1      2.088 ppm2      2.820 CV     1
 ASSI {  111}
   (( segid "LIM1" and resid 14   and name HB1 ))
   (( segid "LIM1" and resid 9    and name HE1 ))
      3.400     1.400     1.400 peak   111 spectrum    2 weight  0.11000E+01 volume  0.49056E-03 ppm1      2.259 ppm2      2.820 CV     1
 ASSI {  114}
   (( segid "LIM1" and resid 15   and name HB1 ))
   (( segid "LIM1" and resid 31   and name HE1 ))
      2.600     0.800     0.800 peak   114 spectrum    2 weight  0.11000E+01 volume  0.24606E-02 ppm1      2.028 ppm2      7.153 CV     1
 ASSI {  115}
   (( segid "LIM1" and resid 15   and name HG1 ))
   (( segid "LIM1" and resid 31   and name HE1 ))
      5.100     3.300     0.900 peak   115 spectrum    2 weight  0.11000E+01 volume  0.54567E-03 ppm1      1.602 ppm2      7.139 CV     1
 ASSI {  116}
   (( segid "LIM1" and resid 15   and name HG2 ))
   (( segid "LIM1" and resid 31   and name HE1 ))
      5.400     3.700     0.600 peak   116 spectrum    2 weight  0.11000E+01 volume  0.40309E-03 ppm1      1.485 ppm2      7.137 CV     1
 ASSI {  118}
   (( segid "LIM1" and resid 15   and name HB1 ))
   (( segid "LIM1" and resid 15   and name HG2 ))
      2.300     0.700     0.700 peak   118 spectrum    2 weight  0.11000E+01 volume  0.53734E-02 ppm1      2.019 ppm2      1.459 CV     1
 ASSI {  119}
   (( segid "LIM1" and resid 15   and name HG1 ))
   (( segid "LIM1" and resid 15   and name HB1 ))
      2.700     0.900     0.900 peak   119 spectrum    2 weight  0.11000E+01 volume  0.50615E-02 ppm1      1.585 ppm2      2.025 CV     1
 ASSI {  121}
   (( segid "LIM1" and resid 15   and name HD1 ))
   (( segid "LIM1" and resid 31   and name HE1 ))
      4.400     2.400     1.600 peak   121 spectrum    2 weight  0.11000E+01 volume  0.48031E-03 ppm1      1.665 ppm2      7.156 CV     1
 ASSI {  122}
   (( segid "LIM1" and resid 15   and name HG1 ))
   (( segid "LIM1" and resid 15   and name HE1 ))
      3.400     1.400     1.400 peak   122 spectrum    2 weight  0.11000E+01 volume  0.12498E-02 ppm1      1.601 ppm2      2.998 CV     1
 ASSI {  123}
   (( segid "LIM1" and resid 15   and name HG2 ))
   (( segid "LIM1" and resid 15   and name HE1 ))
      2.800     1.000     1.000 peak   123 spectrum    2 weight  0.11000E+01 volume  0.22533E-02 ppm1      1.479 ppm2      2.998 CV     1
 ASSI {  125}
   (( segid "LIM1" and resid 16   and name HA  ))
   (  segid "LIM1" and resid 16   and name HG2%)
      2.300     0.700     0.700 peak   125 spectrum    2 weight  0.11000E+01 volume  0.77015E-02 ppm1      4.016 ppm2      0.599 CV     1
 ASSI {  128}
   (  segid "LIM1" and resid 16   and name HG2%)
   (( segid "LIM1" and resid 16   and name HB  ))
      2.100     0.500     0.500 peak   128 spectrum    2 weight  0.11000E+01 volume  0.16980E-01 ppm1      0.601 ppm2      3.683 CV     1
 ASSI {  129}
   (( segid "LIM1" and resid 16   and name HA  ))
   (( segid "LIM1" and resid 9    and name HB1 ))
      3.300     1.400     1.400 peak   129 spectrum    2 weight  0.11000E+01 volume  0.18046E-02 ppm1      4.017 ppm2      1.432 CV     1
 ASSI {  130}
   (( segid "LIM1" and resid 16   and name HA  ))
   (( segid "LIM1" and resid 16   and name HB  ))
      2.200     0.600     0.600 peak   130 spectrum    2 weight  0.11000E+01 volume  0.82691E-02 ppm1      4.017 ppm2      3.684 CV     1
 ASSI {  133}
   (( segid "LIM1" and resid 16   and name HB  ))
   (  segid "LIM1" and resid 18   and name HD% )
      4.200     2.200     1.800 peak   133 spectrum    2 weight  0.11000E+01 volume  0.48101E-03 ppm1      3.680 ppm2      7.149 CV     1
 ASSI {  137}
   (( segid "LIM1" and resid 17   and name HA  ))
   (( segid "LIM1" and resid 17   and name HB  ))
      2.600     0.900     0.900 peak   137 spectrum    2 weight  0.11000E+01 volume  0.44650E-02 ppm1      4.009 ppm2      0.980 CV     1
 ASSI {  138}
   (( segid "LIM1" and resid 17   and name HA  ))
   (  segid "LIM1" and resid 17   and name HG1%)
      2.600     0.800     0.800 peak   138 spectrum    2 weight  0.11000E+01 volume  0.45040E-02 ppm1      4.010 ppm2      0.412 CV     1
 ASSI {  139}
   (( segid "LIM1" and resid 17   and name HA  ))
   (  segid "LIM1" and resid 17   and name HG2%)
      2.400     0.700     0.700 peak   139 spectrum    2 weight  0.11000E+01 volume  0.58324E-02 ppm1      4.008 ppm2      0.120 CV     1
 ASSI {  141}
   (( segid "LIM1" and resid 17   and name HB  ))
   (  segid "LIM1" and resid 17   and name HG1%)
      2.400     0.700     0.700 peak   141 spectrum    2 weight  0.11000E+01 volume  0.56372E-02 ppm1      0.981 ppm2      0.410 CV     1
 ASSI {  142}
   (( segid "LIM1" and resid 17   and name HB  ))
   (  segid "LIM1" and resid 17   and name HG2%)
      2.400     0.700     0.700 peak   142 spectrum    2 weight  0.11000E+01 volume  0.57894E-02 ppm1      0.982 ppm2      0.121 CV     1
 ASSI {  145}
   (( segid "LIM1" and resid 17   and name HA  ))
   (  segid "LIM1" and resid 16   and name HG2%)
      4.400     4.400     1.600 peak   145 spectrum    2 weight  0.11000E+01 volume  0.63361E-03 ppm1      4.012 ppm2      0.604 CV     1
 ASSI {  146}
   (( segid "LIM1" and resid 17   and name HA  ))
   (( segid "LIM1" and resid 31   and name HE1 ))
      3.600     1.600     1.600 peak   146 spectrum    2 weight  0.11000E+01 volume  0.71443E-03 ppm1      4.008 ppm2      7.160 CV     1
 ASSI {  147}
   (( segid "LIM1" and resid 17   and name HA  ))
   (( segid "LIM1" and resid 31   and name HD2 ))
      3.100     1.200     1.200 peak   147 spectrum    2 weight  0.11000E+01 volume  0.22437E-02 ppm1      4.005 ppm2      7.450 CV     1
 ASSI {  148}
   (( segid "LIM1" and resid 17   and name HB  ))
   (( segid "LIM1" and resid 31   and name HD2 ))
      4.800     2.900     1.200 peak   148 spectrum    2 weight  0.11000E+01 volume  0.44748E-03 ppm1      0.998 ppm2      7.451 CV     1
 ASSI {  150}
   (  segid "LIM1" and resid 17   and name HG2%)
   (( segid "LIM1" and resid 31   and name HD2 ))
      3.100     1.200     1.200 peak   150 spectrum    2 weight  0.11000E+01 volume  0.14848E-02 ppm1      0.123 ppm2      7.448 CV     1
 ASSI {  151}
   (  segid "LIM1" and resid 17   and name HG2%)
   (( segid "LIM1" and resid 31   and name HE1 ))
      3.200     1.300     1.300 peak   151 spectrum    2 weight  0.11000E+01 volume  0.10513E-02 ppm1      0.123 ppm2      7.148 CV     1
 ASSI {  152}
   (  segid "LIM1" and resid 17   and name HG1%)
   (( segid "LIM1" and resid 31   and name HE1 ))
      4.100     4.100     1.900 peak   152 spectrum    2 weight  0.11000E+01 volume  0.67427E-03 ppm1      0.401 ppm2      7.163 CV     1
 ASSI {  153}
   (( segid "LIM1" and resid 17   and name HB  ))
   (( segid "LIM1" and resid 31   and name HE1 ))
      5.100     3.200     0.900 peak   153 spectrum    2 weight  0.11000E+01 volume  0.25723E-03 ppm1      0.986 ppm2      7.155 CV     1
 ASSI {  154}
   (  segid "LIM1" and resid 17   and name HG1%)
   (( segid "LIM1" and resid 30   and name HA  ))
      3.500     3.500     2.500 peak   154 spectrum    2 weight  0.11000E+01 volume  0.10541E-02 ppm1      0.416 ppm2      5.680 CV     1
 ASSI {  155}
   (  segid "LIM1" and resid 17   and name HG2%)
   (( segid "LIM1" and resid 30   and name HA  ))
      3.400     3.400     2.600 peak   155 spectrum    2 weight  0.11000E+01 volume  0.13223E-02 ppm1      0.119 ppm2      5.683 CV     1
 ASSI {  159}
   (  segid "LIM1" and resid 17   and name HG2%)
   (( segid "LIM1" and resid 31   and name HA  ))
      2.800     1.000     1.000 peak   159 spectrum    2 weight  0.11000E+01 volume  0.20296E-02 ppm1      0.121 ppm2      4.650 CV     1
 ASSI {  160}
   (  segid "LIM1" and resid 17   and name HG1%)
   (( segid "LIM1" and resid 31   and name HA  ))
      2.700     0.900     0.900 peak   160 spectrum    2 weight  0.11000E+01 volume  0.30800E-02 ppm1      0.410 ppm2      4.651 CV     1
 ASSI {  164}
   (( segid "LIM1" and resid 22   and name HA  ))
   (  segid "LIM1" and resid 17   and name HG2%)
      3.400     1.400     1.400 peak   164 spectrum    2 weight  0.11000E+01 volume  0.26041E-02 ppm1      4.301 ppm2      0.120 CV     1
 ASSI {  165}
   (  segid "LIM1" and resid 17   and name HG1%)
   (( segid "LIM1" and resid 22   and name HA  ))
      2.300     0.700     0.700 peak   165 spectrum    2 weight  0.11000E+01 volume  0.63492E-02 ppm1      0.410 ppm2      4.302 CV     1
 ASSI {  167}
   (( segid "LIM1" and resid 17   and name HB  ))
   (( segid "LIM1" and resid 22   and name HA  ))
      5.400     3.600     0.600 peak   167 spectrum    2 weight  0.11000E+01 volume  0.28092E-03 ppm1      0.972 ppm2      4.314 CV     1
 ASSI {  168}
   (  segid "LIM1" and resid 17   and name HG1%)
   (( segid "LIM1" and resid 29   and name HB2 ))
      3.700     1.700     1.700 peak   168 spectrum    2 weight  0.11000E+01 volume  0.17696E-02 ppm1      0.409 ppm2      3.128 CV     1
 ASSI {  170}
   (( segid "LIM1" and resid 29   and name HB2 ))
   (  segid "LIM1" and resid 17   and name HG2%)
      4.000     4.000     2.000 peak   170 spectrum    2 weight  0.11000E+01 volume  0.63983E-03 ppm1      3.135 ppm2      0.125 CV     1
 ASSI {  172}
   (( segid "LIM1" and resid 29   and name HB1 ))
   (  segid "LIM1" and resid 17   and name HG1%)
      3.400     1.400     1.400 peak   172 spectrum    2 weight  0.11000E+01 volume  0.16317E-02 ppm1      3.343 ppm2      0.410 CV     1
 ASSI {  173}
   (( segid "LIM1" and resid 29   and name HB1 ))
   (  segid "LIM1" and resid 17   and name HG2%)
      3.800     3.800     2.200 peak   173 spectrum    2 weight  0.11000E+01 volume  0.81088E-03 ppm1      3.338 ppm2      0.120 CV     1
 ASSI {  174}
   (  segid "LIM1" and resid 17   and name HG2%)
   (( segid "LIM1" and resid 21   and name HB1 ))
      4.700     4.700     1.300 peak   174 spectrum    2 weight  0.11000E+01 volume  0.62084E-03 ppm1      0.112 ppm2      2.487 CV     1
 ASSI {  176}
   (  segid "LIM1" and resid 17   and name HG1%)
   (( segid "LIM1" and resid 22   and name HG1 ))
      2.700     0.900     0.900 peak   176 spectrum    2 weight  0.11000E+01 volume  0.22740E-02 ppm1      0.408 ppm2      1.976 CV     1
 ASSI {  177}
   (  segid "LIM1" and resid 17   and name HG1%)
   (( segid "LIM1" and resid 22   and name HG2 ))
      3.400     1.500     1.500 peak   177 spectrum    2 weight  0.11000E+01 volume  0.48327E-02 ppm1      0.411 ppm2      1.749 CV     1
 ASSI {  180}
   (  segid "LIM1" and resid 17   and name HG2%)
   (( segid "LIM1" and resid 22   and name HG1 ))
      4.200     2.200     1.800 peak   180 spectrum    2 weight  0.11000E+01 volume  0.63832E-03 ppm1      0.117 ppm2      1.994 CV     1
 ASSI {  181}
   (  segid "LIM1" and resid 17   and name HG2%)
   (( segid "LIM1" and resid 22   and name HG2 ))
      4.800     4.800     1.200 peak   181 spectrum    2 weight  0.11000E+01 volume  0.76336E-03 ppm1      0.116 ppm2      1.751 CV     1
 ASSI {  182}
   (  segid "LIM1" and resid 17   and name HG1%)
   (  segid "LIM1" and resid 8    and name HB% )
      3.400     3.400     2.600 peak   182 spectrum    2 weight  0.11000E+01 volume  0.16107E-02 ppm1      0.400 ppm2      1.131 CV     1
 ASSI {  185}
   (  segid "LIM1" and resid 8    and name HB% )
   (( segid "LIM1" and resid 17   and name HB  ))
      2.600     0.800     0.800 peak   185 spectrum    2 weight  0.11000E+01 volume  0.41646E-02 ppm1      1.140 ppm2      0.991 CV     1
 ASSI {  186}
   (  segid "LIM1" and resid 17   and name HG1%)
   (  segid "LIM1" and resid 17   and name HG2%)
      2.100     2.100     3.900 peak   186 spectrum    2 weight  0.11000E+01 volume  0.13477E-01 ppm1      0.412 ppm2      0.121 CV     1
 ASSI {  189}
   (( segid "LIM1" and resid 18   and name HA  ))
   (( segid "LIM1" and resid 18   and name HB1 ))
      2.600     0.800     0.800 peak   189 spectrum    2 weight  0.11000E+01 volume  0.35782E-02 ppm1      4.604 ppm2      3.182 CV     1
 ASSI {  190}
   (( segid "LIM1" and resid 18   and name HB2 ))
   (( segid "LIM1" and resid 18   and name HA  ))
      3.400     1.400     1.400 peak   190 spectrum    2 weight  0.11000E+01 volume  0.16824E-02 ppm1      2.797 ppm2      4.607 CV     1
 ASSI {  191}
   (( segid "LIM1" and resid 18   and name HB2 ))
   (  segid "LIM1" and resid 18   and name HD% )
      2.800     1.000     1.000 peak   191 spectrum    2 weight  0.11000E+01 volume  0.22038E-02 ppm1      2.777 ppm2      7.157 CV     1
 ASSI {  193}
   (( segid "LIM1" and resid 18   and name HB2 ))
   (( segid "LIM1" and resid 18   and name HB1 ))
      1.900     0.400     0.400 peak   193 spectrum    2 weight  0.11000E+01 volume  0.82267E-02 ppm1      2.773 ppm2      3.176 CV     1
 ASSI {  196}
   (  segid "LIM1" and resid 20   and name HB% )
   (( segid "LIM1" and resid 20   and name HA  ))
      2.100     0.500     0.500 peak   196 spectrum    2 weight  0.11000E+01 volume  0.18888E-01 ppm1      1.359 ppm2      4.041 CV     1
 ASSI {  197}
   (  segid "LIM1" and resid 20   and name HB% )
   (  segid "LIM1" and resid 18   and name HE% )
      2.500     2.500     3.500 peak   197 spectrum    2 weight  0.11000E+01 volume  0.13361E-02 ppm1      1.361 ppm2      6.729 CV     1
 ASSI {  198}
   (  segid "LIM1" and resid 20   and name HB% )
   (  segid "LIM1" and resid 18   and name HD% )
      2.700     2.700     3.300 peak   198 spectrum    2 weight  0.11000E+01 volume  0.89778E-03 ppm1      1.365 ppm2      7.155 CV     1
 ASSI {  201}
   (( segid "LIM1" and resid 21   and name HA  ))
   (( segid "LIM1" and resid 21   and name HB1 ))
      2.400     0.700     0.700 peak   201 spectrum    2 weight  0.11000E+01 volume  0.54029E-02 ppm1      4.483 ppm2      2.497 CV     1
 ASSI {  202}
   (( segid "LIM1" and resid 21   and name HA  ))
   (( segid "LIM1" and resid 21   and name HB2 ))
      2.500     0.800     0.800 peak   202 spectrum    2 weight  0.11000E+01 volume  0.46667E-02 ppm1      4.499 ppm2      2.283 CV     1
 ASSI {  203}
   (( segid "LIM1" and resid 21   and name HG1 ))
   (( segid "LIM1" and resid 21   and name HA  ))
      3.400     1.400     1.400 peak   203 spectrum    2 weight  0.11000E+01 volume  0.27414E-02 ppm1      2.386 ppm2      4.506 CV     1
 ASSI {  204}
   (( segid "LIM1" and resid 21   and name HB2 ))
   (( segid "LIM1" and resid 21   and name HB1 ))
      1.800     0.400     0.400 peak   204 spectrum    2 weight  0.11000E+01 volume  0.97426E-02 ppm1      2.254 ppm2      2.496 CV     1
 ASSI {  206}
   (( segid "LIM1" and resid 21   and name HB1 ))
   (( segid "LIM1" and resid 31   and name HD2 ))
      4.500     2.500     1.500 peak   206 spectrum    2 weight  0.11000E+01 volume  0.10167E-02 ppm1      2.501 ppm2      7.445 CV     1
 ASSI {  207}
   (( segid "LIM1" and resid 21   and name HB2 ))
   (( segid "LIM1" and resid 31   and name HD2 ))
      3.500     1.500     1.500 peak   207 spectrum    2 weight  0.11000E+01 volume  0.85476E-03 ppm1      2.268 ppm2      7.451 CV     1
 ASSI {  208}
   (( segid "LIM1" and resid 28   and name HA  ))
   (( segid "LIM1" and resid 28   and name HB1 ))
      2.800     1.000     1.000 peak   208 spectrum    2 weight  0.11000E+01 volume  0.24199E-02 ppm1      4.480 ppm2      1.878 CV     1
 ASSI {  211}
   (( segid "LIM1" and resid 22   and name HA  ))
   (( segid "LIM1" and resid 22   and name HG1 ))
      2.500     0.800     0.800 peak   211 spectrum    2 weight  0.11000E+01 volume  0.37728E-02 ppm1      4.290 ppm2      1.975 CV     1
 ASSI {  212}
   (( segid "LIM1" and resid 22   and name HA  ))
   (( segid "LIM1" and resid 22   and name HG2 ))
      2.600     0.800     0.800 peak   212 spectrum    2 weight  0.11000E+01 volume  0.74824E-02 ppm1      4.294 ppm2      1.750 CV     1
 ASSI {  213}
   (( segid "LIM1" and resid 22   and name HG1 ))
   (( segid "LIM1" and resid 23   and name HA  ))
      4.100     2.100     1.900 peak   213 spectrum    2 weight  0.11000E+01 volume  0.89909E-03 ppm1      1.954 ppm2      4.130 CV     1
 ASSI {  216}
   (( segid "LIM1" and resid 23   and name HA  ))
   (( segid "LIM1" and resid 22   and name HG2 ))
      2.600     0.900     0.900 peak   216 spectrum    2 weight  0.11000E+01 volume  0.34008E-02 ppm1      4.129 ppm2      1.747 CV     1
 ASSI {  218}
   (( segid "LIM1" and resid 22   and name HG1 ))
   (( segid "LIM1" and resid 22   and name HG2 ))
      1.800     0.400     0.400 peak   218 spectrum    2 weight  0.11000E+01 volume  0.11516E-01 ppm1      1.954 ppm2      1.744 CV     1
 ASSI {  221}
   (( segid "LIM1" and resid 22   and name HG1 ))
   (( segid "LIM1" and resid 29   and name HB1 ))
      3.100     1.200     1.200 peak   221 spectrum    2 weight  0.11000E+01 volume  0.43938E-03 ppm1      1.955 ppm2      3.338 CV     1
 ASSI {  222}
   (( segid "LIM1" and resid 29   and name HB1 ))
   (( segid "LIM1" and resid 22   and name HG2 ))
      3.500     1.500     1.500 peak   222 spectrum    2 weight  0.11000E+01 volume  0.14481E-02 ppm1      3.347 ppm2      1.751 CV     1
 ASSI {  223}
   (( segid "LIM1" and resid 29   and name HB1 ))
   (( segid "LIM1" and resid 22   and name HB1 ))
      4.700     2.700     1.300 peak   223 spectrum    2 weight  0.11000E+01 volume  0.90988E-03 ppm1      3.349 ppm2      1.960 CV     1
 ASSI {  224}
   (( segid "LIM1" and resid 23   and name HA  ))
   (( segid "LIM1" and resid 23   and name HB  ))
      2.500     0.800     0.800 peak   224 spectrum    2 weight  0.11000E+01 volume  0.63744E-02 ppm1      4.121 ppm2      1.179 CV     1
 ASSI {  225}
   (( segid "LIM1" and resid 23   and name HA  ))
   (  segid "LIM1" and resid 23   and name HG2%)
      2.600     0.800     0.800 peak   225 spectrum    2 weight  0.11000E+01 volume  0.47382E-02 ppm1      4.121 ppm2     -0.065 CV     1
 ASSI {  229}
   (  segid "LIM1" and resid 23   and name HG2%)
   (( segid "LIM1" and resid 23   and name HB  ))
      2.200     0.600     0.600 peak   229 spectrum    2 weight  0.11000E+01 volume  0.93568E-02 ppm1     -0.057 ppm2      1.178 CV     1
 ASSI {  231}
   (( segid "LIM1" and resid 23   and name HA  ))
   (( segid "LIM1" and resid 23   and name HG12))
      2.800     1.000     1.000 peak   231 spectrum    2 weight  0.11000E+01 volume  0.20903E-02 ppm1      4.120 ppm2      0.697 CV     1
 ASSI {  233}
   (  segid "LIM1" and resid 23   and name HD1%)
   (( segid "LIM1" and resid 23   and name HA  ))
      3.300     1.400     1.400 peak   233 spectrum    2 weight  0.11000E+01 volume  0.31880E-02 ppm1      0.500 ppm2      4.129 CV     1
 ASSI {  236}
   (  segid "LIM1" and resid 23   and name HD1%)
   (( segid "LIM1" and resid 23   and name HB  ))
      2.300     0.600     0.600 peak   236 spectrum    2 weight  0.11000E+01 volume  0.10444E-01 ppm1      0.501 ppm2      1.174 CV     1
 ASSI {  237}
   (( segid "LIM1" and resid 23   and name HG12))
   (( segid "LIM1" and resid 23   and name HB  ))
      2.500     0.800     0.800 peak   237 spectrum    2 weight  0.11000E+01 volume  0.74121E-02 ppm1      0.705 ppm2      1.175 CV     1
 ASSI {  238}
   (  segid "LIM1" and resid 23   and name HG2%)
   (  segid "LIM1" and resid 23   and name HD1%)
      2.500     2.500     3.500 peak   238 spectrum    2 weight  0.11000E+01 volume  0.54594E-02 ppm1     -0.062 ppm2      0.498 CV     1
 ASSI {  239}
   (  segid "LIM1" and resid 23   and name HG2%)
   (( segid "LIM1" and resid 23   and name HG12))
      2.700     0.900     0.900 peak   239 spectrum    2 weight  0.11000E+01 volume  0.31659E-02 ppm1     -0.063 ppm2      0.699 CV     1
 ASSI {  242}
   (( segid "LIM1" and resid 23   and name HB  ))
   (( segid "LIM1" and resid 30   and name HB2 ))
      3.000     1.100     1.100 peak   242 spectrum    2 weight  0.11000E+01 volume  0.12867E-02 ppm1      1.189 ppm2      2.486 CV     1
 ASSI {  243}
   (  segid "LIM1" and resid 23   and name HG2%)
   (( segid "LIM1" and resid 30   and name HB2 ))
      3.100     1.200     1.200 peak   243 spectrum    2 weight  0.11000E+01 volume  0.18923E-02 ppm1     -0.056 ppm2      2.494 CV     1
 ASSI {  244}
   (  segid "LIM1" and resid 23   and name HG2%)
   (( segid "LIM1" and resid 35   and name HB2 ))
      3.300     1.400     1.400 peak   244 spectrum    2 weight  0.11000E+01 volume  0.15851E-02 ppm1     -0.063 ppm2      2.602 CV     1
 ASSI {  245}
   (  segid "LIM1" and resid 23   and name HG2%)
   (( segid "LIM1" and resid 25   and name HB1 ))
      4.200     2.200     1.800 peak   245 spectrum    2 weight  0.11000E+01 volume  0.77381E-03 ppm1     -0.064 ppm2      2.790 CV     1
 ASSI {  246}
   (  segid "LIM1" and resid 23   and name HG2%)
   (( segid "LIM1" and resid 30   and name HB1 ))
      4.400     2.400     1.600 peak   246 spectrum    2 weight  0.11000E+01 volume  0.95047E-03 ppm1     -0.060 ppm2      3.024 CV     1
 ASSI {  247}
   (  segid "LIM1" and resid 23   and name HG2%)
   (( segid "LIM1" and resid 35   and name HB1 ))
      4.100     2.100     1.900 peak   247 spectrum    2 weight  0.11000E+01 volume  0.10131E-02 ppm1     -0.074 ppm2      3.326 CV     1
 ASSI {  248}
   (  segid "LIM1" and resid 23   and name HG2%)
   (( segid "LIM1" and resid 32   and name HA  ))
      3.900     1.900     1.900 peak   248 spectrum    2 weight  0.11000E+01 volume  0.30911E-02 ppm1     -0.060 ppm2      3.971 CV     1
 ASSI {  252}
   (( segid "LIM1" and resid 23   and name HB  ))
   (( segid "LIM1" and resid 30   and name HB1 ))
      4.500     2.500     1.500 peak   252 spectrum    2 weight  0.11000E+01 volume  0.52645E-03 ppm1      1.192 ppm2      3.035 CV     1
 ASSI {  255}
   (( segid "LIM1" and resid 23   and name HB  ))
   (( segid "LIM1" and resid 32   and name HA  ))
      3.800     1.800     1.800 peak   255 spectrum    2 weight  0.11000E+01 volume  0.65522E-03 ppm1      1.188 ppm2      3.971 CV     1
 ASSI {  256}
   (( segid "LIM1" and resid 32   and name HA  ))
   (( segid "LIM1" and resid 23   and name HG11))
      3.300     1.400     1.400 peak   256 spectrum    2 weight  0.11000E+01 volume  0.13863E-02 ppm1      3.967 ppm2      1.176 CV     1
 ASSI {  257}
   (  segid "LIM1" and resid 23   and name HG2%)
   (  segid "LIM1" and resid 35   and name HE% )
      2.800     2.800     3.200 peak   257 spectrum    2 weight  0.11000E+01 volume  0.24385E-02 ppm1     -0.057 ppm2      6.394 CV     1
 ASSI {  258}
   (  segid "LIM1" and resid 23   and name HG2%)
   (  segid "LIM1" and resid 35   and name HD% )
      2.700     2.700     3.300 peak   258 spectrum    2 weight  0.11000E+01 volume  0.29090E-02 ppm1     -0.059 ppm2      6.543 CV     1
 ASSI {  259}
   (  segid "LIM1" and resid 23   and name HG2%)
   (( segid "LIM1" and resid 35   and name HZ  ))
      3.400     1.500     1.500 peak   259 spectrum    2 weight  0.11000E+01 volume  0.12715E-02 ppm1     -0.057 ppm2      6.839 CV     1
 ASSI {  260}
   (( segid "LIM1" and resid 23   and name HB  ))
   (  segid "LIM1" and resid 35   and name HE% )
      4.600     4.600     1.400 peak   260 spectrum    2 weight  0.11000E+01 volume  0.31744E-03 ppm1      1.187 ppm2      6.391 CV     1
 ASSI {  262}
   (( segid "LIM1" and resid 23   and name HG11))
   (( segid "LIM1" and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   262 spectrum    2 weight  0.11000E+01 volume  0.16027E-02 ppm1      1.175 ppm2      4.128 CV     1
 ASSI {  263}
   (( segid "LIM1" and resid 23   and name HG11))
   (  segid "LIM1" and resid 35   and name HD% )
      4.800     4.800     1.200 peak   263 spectrum    2 weight  0.11000E+01 volume  0.32260E-03 ppm1      1.183 ppm2      6.555 CV     1
 ASSI {  264}
   (( segid "LIM1" and resid 23   and name HG11))
   (( segid "LIM1" and resid 23   and name HG12))
      2.000     0.500     0.500 peak   264 spectrum    2 weight  0.11000E+01 volume  0.72760E-02 ppm1      1.176 ppm2      0.697 CV     1
 ASSI {  265}
   (( segid "LIM1" and resid 23   and name HG11))
   (  segid "LIM1" and resid 23   and name HD1%)
      2.600     0.800     0.800 peak   265 spectrum    2 weight  0.11000E+01 volume  0.39721E-02 ppm1      1.172 ppm2      0.499 CV     1
 ASSI {  266}
   (( segid "LIM1" and resid 23   and name HG11))
   (  segid "LIM1" and resid 23   and name HG2%)
      3.700     1.700     1.700 peak   266 spectrum    2 weight  0.11000E+01 volume  0.15433E-02 ppm1      1.177 ppm2     -0.067 CV     1
 ASSI {  267}
   (( segid "LIM1" and resid 23   and name HG12))
   (  segid "LIM1" and resid 23   and name HD1%)
      2.300     0.700     0.700 peak   267 spectrum    2 weight  0.11000E+01 volume  0.69793E-02 ppm1      0.691 ppm2      0.500 CV     1
 ASSI {  269}
   (  segid "LIM1" and resid 23   and name HD1%)
   (( segid "LIM1" and resid 35   and name HB2 ))
      3.300     1.400     1.400 peak   269 spectrum    2 weight  0.11000E+01 volume  0.11103E-02 ppm1      0.497 ppm2      2.619 CV     1
 ASSI {  270}
   (  segid "LIM1" and resid 23   and name HD1%)
   (( segid "LIM1" and resid 35   and name HB1 ))
      3.500     1.500     1.500 peak   270 spectrum    2 weight  0.11000E+01 volume  0.10181E-02 ppm1      0.501 ppm2      3.340 CV     1
 ASSI {  274}
   (( segid "LIM1" and resid 32   and name HE1 ))
   (  segid "LIM1" and resid 23   and name HD1%)
      3.800     1.800     1.800 peak   274 spectrum    2 weight  0.11000E+01 volume  0.95292E-03 ppm1      2.890 ppm2      0.496 CV     1
 ASSI {  276}
   (( segid "LIM1" and resid 32   and name HA  ))
   (  segid "LIM1" and resid 23   and name HD1%)
      2.600     0.900     0.900 peak   276 spectrum    2 weight  0.11000E+01 volume  0.23479E-02 ppm1      3.966 ppm2      0.499 CV     1
 ASSI {  277}
   (  segid "LIM1" and resid 23   and name HD1%)
   (  segid "LIM1" and resid 35   and name HE% )
      3.300     1.400     1.400 peak   277 spectrum    2 weight  0.11000E+01 volume  0.17987E-02 ppm1      0.496 ppm2      6.391 CV     1
 ASSI {  278}
   (  segid "LIM1" and resid 23   and name HD1%)
   (  segid "LIM1" and resid 35   and name HD% )
      3.000     1.100     1.100 peak   278 spectrum    2 weight  0.11000E+01 volume  0.25936E-02 ppm1      0.499 ppm2      6.542 CV     1
 ASSI {  279}
   (  segid "LIM1" and resid 23   and name HD1%)
   (( segid "LIM1" and resid 35   and name HZ  ))
      4.300     2.300     1.700 peak   279 spectrum    2 weight  0.11000E+01 volume  0.35342E-03 ppm1      0.504 ppm2      6.836 CV     1
 ASSI {  280}
   (( segid "LIM1" and resid 24   and name HA  ))
   (( segid "LIM1" and resid 24   and name HG1 ))
      3.100     1.200     1.200 peak   280 spectrum    2 weight  0.11000E+01 volume  0.23107E-02 ppm1      5.186 ppm2      2.134 CV     1
 ASSI {  281}
   (( segid "LIM1" and resid 24   and name HA  ))
   (( segid "LIM1" and resid 24   and name HG2 ))
      2.500     0.800     0.800 peak   281 spectrum    2 weight  0.11000E+01 volume  0.35147E-02 ppm1      5.182 ppm2      2.023 CV     1
 ASSI {  285}
   (( segid "LIM1" and resid 24   and name HB1 ))
   (( segid "LIM1" and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   285 spectrum    2 weight  0.11000E+01 volume  0.40682E-02 ppm1      1.820 ppm2      5.184 CV     1
 ASSI {  286}
   (( segid "LIM1" and resid 25   and name HB1 ))
   (( segid "LIM1" and resid 25   and name HA  ))
      2.800     1.000     1.000 peak   286 spectrum    2 weight  0.11000E+01 volume  0.45561E-02 ppm1      2.802 ppm2      4.409 CV     1
 ASSI {  287}
   (( segid "LIM1" and resid 25   and name HB2 ))
   (( segid "LIM1" and resid 25   and name HA  ))
      2.700     0.900     0.900 peak   287 spectrum    2 weight  0.11000E+01 volume  0.21342E-02 ppm1      2.567 ppm2      4.406 CV     1
 ASSI {  290}
   (( segid "LIM1" and resid 25   and name HB1 ))
   (( segid "LIM1" and resid 25   and name HB2 ))
      1.800     0.400     0.400 peak   290 spectrum    2 weight  0.11000E+01 volume  0.10405E-01 ppm1      2.789 ppm2      2.562 CV     1
 ASSI {  292}
   (( segid "LIM1" and resid 25   and name HB2 ))
   (  segid "LIM1" and resid 23   and name HG2%)
      3.600     1.600     1.600 peak   292 spectrum    2 weight  0.11000E+01 volume  0.51112E-03 ppm1      2.546 ppm2     -0.059 CV     1
 ASSI {  295}
   (( segid "LIM1" and resid 25   and name HA  ))
   (  segid "LIM1" and resid 23   and name HG2%)
      3.900     1.900     1.900 peak   295 spectrum    2 weight  0.11000E+01 volume  0.55770E-03 ppm1      4.405 ppm2     -0.061 CV     1
 ASSI {  296}
   (( segid "LIM1" and resid 25   and name HA  ))
   (  segid "LIM1" and resid 56   and name HG2%)
      3.900     3.900     2.100 peak   296 spectrum    2 weight  0.11000E+01 volume  0.13437E-02 ppm1      4.403 ppm2      0.275 CV     1
 ASSI {  297}
   (( segid "LIM1" and resid 25   and name HB1 ))
   (  segid "LIM1" and resid 35   and name HE% )
      3.800     3.800     2.200 peak   297 spectrum    2 weight  0.11000E+01 volume  0.15281E-02 ppm1      2.793 ppm2      6.395 CV     1
 ASSI {  298}
   (( segid "LIM1" and resid 25   and name HB2 ))
   (  segid "LIM1" and resid 35   and name HE% )
      3.000     3.000     3.000 peak   298 spectrum    2 weight  0.11000E+01 volume  0.97403E-03 ppm1      2.567 ppm2      6.394 CV     1
 ASSI {  299}
   (( segid "LIM1" and resid 25   and name HB2 ))
   (  segid "LIM1" and resid 35   and name HD% )
      5.000     5.000     1.000 peak   299 spectrum    2 weight  0.11000E+01 volume  0.22554E-03 ppm1      2.549 ppm2      6.546 CV     1
 ASSI {  300}
   (( segid "LIM1" and resid 25   and name HB1 ))
   (  segid "LIM1" and resid 35   and name HD% )
      5.300     5.300     0.700 peak   300 spectrum    2 weight  0.11000E+01 volume  0.19554E-03 ppm1      2.779 ppm2      6.547 CV     1
 ASSI {  301}
   (( segid "LIM1" and resid 25   and name HB2 ))
   (( segid "LIM1" and resid 35   and name HZ  ))
      4.100     2.100     1.900 peak   301 spectrum    2 weight  0.11000E+01 volume  0.66540E-03 ppm1      2.543 ppm2      6.847 CV     1
 ASSI {  302}
   (( segid "LIM1" and resid 25   and name HB1 ))
   (( segid "LIM1" and resid 35   and name HZ  ))
      4.500     2.500     1.500 peak   302 spectrum    2 weight  0.11000E+01 volume  0.13094E-02 ppm1      2.797 ppm2      6.837 CV     1
 ASSI {  303}
   (( segid "LIM1" and resid 25   and name HB2 ))
   (  segid "LIM1" and resid 30   and name HD% )
      3.400     1.500     1.500 peak   303 spectrum    2 weight  0.11000E+01 volume  0.12599E-02 ppm1      2.555 ppm2      7.112 CV     1
 ASSI {  304}
   (( segid "LIM1" and resid 25   and name HB1 ))
   (  segid "LIM1" and resid 30   and name HD% )
      3.300     1.400     1.400 peak   304 spectrum    2 weight  0.11000E+01 volume  0.74447E-03 ppm1      2.793 ppm2      7.122 CV     1
 ASSI {  305}
   (( segid "LIM1" and resid 25   and name HB1 ))
   (  segid "LIM1" and resid 30   and name HE% )
      3.000     1.100     1.100 peak   305 spectrum    2 weight  0.11000E+01 volume  0.12337E-02 ppm1      2.790 ppm2      7.223 CV     1
 ASSI {  306}
   (( segid "LIM1" and resid 25   and name HB2 ))
   (  segid "LIM1" and resid 30   and name HE% )
      3.800     1.800     1.800 peak   306 spectrum    2 weight  0.11000E+01 volume  0.22311E-02 ppm1      2.556 ppm2      7.213 CV     1
 ASSI {  307}
   (( segid "LIM1" and resid 26   and name HB1 ))
   (( segid "LIM1" and resid 26   and name HA  ))
      2.900     1.100     1.100 peak   307 spectrum    2 weight  0.11000E+01 volume  0.37398E-02 ppm1      3.219 ppm2      4.435 CV     1
 ASSI {  309}
   (( segid "LIM1" and resid 26   and name HB2 ))
   (( segid "LIM1" and resid 26   and name HA  ))
      2.600     0.800     0.800 peak   309 spectrum    2 weight  0.11000E+01 volume  0.43215E-02 ppm1      2.527 ppm2      4.435 CV     1
 ASSI {  311}
   (( segid "LIM1" and resid 26   and name HB2 ))
   (( segid "LIM1" and resid 26   and name HB1 ))
      1.800     0.400     0.400 peak   311 spectrum    2 weight  0.11000E+01 volume  0.15789E-01 ppm1      2.530 ppm2      3.218 CV     1
 ASSI {  314}
   (( segid "LIM1" and resid 26   and name HB2 ))
   (  segid "LIM1" and resid 51   and name HB% )
      2.900     2.900     3.100 peak   314 spectrum    2 weight  0.11000E+01 volume  0.25380E-02 ppm1      2.529 ppm2      1.271 CV     1
 ASSI {  315}
   (  segid "LIM1" and resid 51   and name HB% )
   (( segid "LIM1" and resid 26   and name HB1 ))
      3.200     1.300     1.300 peak   315 spectrum    2 weight  0.11000E+01 volume  0.21607E-02 ppm1      1.286 ppm2      3.211 CV     1
 ASSI {  317}
   (( segid "LIM1" and resid 27   and name HA1 ))
   (( segid "LIM1" and resid 27   and name HA2 ))
      2.000     0.500     0.500 peak   317 spectrum    2 weight  0.11000E+01 volume  0.94748E-02 ppm1      4.069 ppm2      3.553 CV     1
 ASSI {  319}
   (( segid "LIM1" and resid 28   and name HA  ))
   (( segid "LIM1" and resid 28   and name HB2 ))
      2.600     0.800     0.800 peak   319 spectrum    2 weight  0.11000E+01 volume  0.68187E-02 ppm1      4.460 ppm2      1.590 CV     1
 ASSI {  323}
   (( segid "LIM1" and resid 28   and name HB1 ))
   (  segid "LIM1" and resid 30   and name HE% )
      3.400     1.500     1.500 peak   323 spectrum    2 weight  0.11000E+01 volume  0.14676E-02 ppm1      1.871 ppm2      7.225 CV     1
 ASSI {  324}
   (( segid "LIM1" and resid 28   and name HB2 ))
   (  segid "LIM1" and resid 30   and name HE% )
      3.100     1.200     1.200 peak   324 spectrum    2 weight  0.11000E+01 volume  0.13263E-02 ppm1      1.577 ppm2      7.220 CV     1
 ASSI {  325}
   (( segid "LIM1" and resid 28   and name HG1 ))
   (( segid "LIM1" and resid 28   and name HA  ))
      3.000     1.100     1.100 peak   325 spectrum    2 weight  0.11000E+01 volume  0.25468E-02 ppm1      1.606 ppm2      4.469 CV     1
 ASSI {  326}
   (( segid "LIM1" and resid 28   and name HG1 ))
   (  segid "LIM1" and resid 30   and name HE% )
      3.700     1.800     1.800 peak   326 spectrum    2 weight  0.11000E+01 volume  0.11371E-02 ppm1      1.612 ppm2      7.220 CV     1
 ASSI {  327}
   (( segid "LIM1" and resid 28   and name HG1 ))
   (( segid "LIM1" and resid 28   and name HB1 ))
      2.600     0.900     0.900 peak   327 spectrum    2 weight  0.11000E+01 volume  0.54866E-02 ppm1      1.605 ppm2      1.868 CV     1
 ASSI {  329}
   (( segid "LIM1" and resid 22   and name HG2 ))
   (( segid "LIM1" and resid 29   and name HB2 ))
      5.700     4.000     0.300 peak   329 spectrum    2 weight  0.11000E+01 volume  0.60229E-03 ppm1      1.761 ppm2      3.126 CV     1
 ASSI {  330}
   (( segid "LIM1" and resid 29   and name HB1 ))
   (( segid "LIM1" and resid 29   and name HB2 ))
      1.800     0.400     0.400 peak   330 spectrum    2 weight  0.11000E+01 volume  0.11743E-01 ppm1      3.341 ppm2      3.124 CV     1
 ASSI {  332}
   (( segid "LIM1" and resid 30   and name HB2 ))
   (( segid "LIM1" and resid 30   and name HB1 ))
      2.000     0.500     0.500 peak   332 spectrum    2 weight  0.11000E+01 volume  0.52591E-02 ppm1      2.496 ppm2      3.025 CV     1
 ASSI {  334}
   (( segid "LIM1" and resid 30   and name HA  ))
   (( segid "LIM1" and resid 30   and name HB2 ))
      3.200     1.300     1.300 peak   334 spectrum    2 weight  0.11000E+01 volume  0.20050E-02 ppm1      5.673 ppm2      2.500 CV     1
 ASSI {  336}
   (( segid "LIM1" and resid 30   and name HA  ))
   (( segid "LIM1" and resid 30   and name HB1 ))
      2.600     0.800     0.800 peak   336 spectrum    2 weight  0.11000E+01 volume  0.29674E-02 ppm1      5.674 ppm2      3.023 CV     1
 ASSI {  337}
   (( segid "LIM1" and resid 30   and name HA  ))
   (  segid "LIM1" and resid 30   and name HE% )
      4.400     2.400     1.600 peak   337 spectrum    2 weight  0.11000E+01 volume  0.67562E-03 ppm1      5.666 ppm2      7.200 CV     1
 ASSI {  340}
   (( segid "LIM1" and resid 31   and name HB1 ))
   (( segid "LIM1" and resid 31   and name HA  ))
      2.900     1.000     1.000 peak   340 spectrum    2 weight  0.11000E+01 volume  0.18791E-02 ppm1      3.569 ppm2      4.656 CV     1
 ASSI {  343}
   (( segid "LIM1" and resid 32   and name HA  ))
   (( segid "LIM1" and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak   343 spectrum    2 weight  0.11000E+01 volume  0.19669E-02 ppm1      3.967 ppm2      2.632 CV     1
 ASSI {  344}
   (( segid "LIM1" and resid 32   and name HA  ))
   (( segid "LIM1" and resid 35   and name HB1 ))
      3.000     1.100     1.100 peak   344 spectrum    2 weight  0.11000E+01 volume  0.14586E-02 ppm1      3.965 ppm2      3.336 CV     1
 ASSI {  347}
   (( segid "LIM1" and resid 32   and name HA  ))
   (( segid "LIM1" and resid 32   and name HB1 ))
      2.800     1.000     1.000 peak   347 spectrum    2 weight  0.11000E+01 volume  0.29769E-02 ppm1      3.964 ppm2      1.994 CV     1
 ASSI {  348}
   (( segid "LIM1" and resid 32   and name HA  ))
   (( segid "LIM1" and resid 32   and name HB2 ))
      2.500     0.800     0.800 peak   348 spectrum    2 weight  0.11000E+01 volume  0.27128E-02 ppm1      3.963 ppm2      1.885 CV     1
 ASSI {  352}
   (( segid "LIM1" and resid 32   and name HD1 ))
   (( segid "LIM1" and resid 32   and name HA  ))
      3.700     1.700     1.700 peak   352 spectrum    2 weight  0.11000E+01 volume  0.23169E-02 ppm1      1.710 ppm2      3.951 CV     1
 ASSI {  353}
   (( segid "LIM1" and resid 32   and name HA  ))
   (( segid "LIM1" and resid 32   and name HG1 ))
      2.700     0.900     0.900 peak   353 spectrum    2 weight  0.11000E+01 volume  0.23300E-02 ppm1      3.968 ppm2      1.397 CV     1
 ASSI {  355}
   (( segid "LIM1" and resid 32   and name HA  ))
   (  segid "LIM1" and resid 35   and name HD% )
      4.300     2.300     1.700 peak   355 spectrum    2 weight  0.11000E+01 volume  0.60928E-03 ppm1      3.970 ppm2      6.534 CV     1
 ASSI {  356}
   (( segid "LIM1" and resid 32   and name HG1 ))
   (( segid "LIM1" and resid 32   and name HE1 ))
      2.600     0.900     0.900 peak   356 spectrum    2 weight  0.11000E+01 volume  0.36578E-02 ppm1      1.400 ppm2      2.886 CV     1
 ASSI {  357}
   (( segid "LIM1" and resid 32   and name HG1 ))
   (  segid "LIM1" and resid 23   and name HG2%)
      4.700     4.700     1.300 peak   357 spectrum    2 weight  0.11000E+01 volume  0.95766E-03 ppm1      1.402 ppm2     -0.066 CV     1
 ASSI {  359}
   (( segid "LIM1" and resid 32   and name HG1 ))
   (  segid "LIM1" and resid 23   and name HD1%)
      2.700     0.900     0.900 peak   359 spectrum    2 weight  0.11000E+01 volume  0.22604E-02 ppm1      1.392 ppm2      0.488 CV     1
 ASSI {  361}
   (( segid "LIM1" and resid 32   and name HD1 ))
   (( segid "LIM1" and resid 32   and name HE1 ))
      2.600     0.800     0.800 peak   361 spectrum    2 weight  0.11000E+01 volume  0.65445E-02 ppm1      1.704 ppm2      2.883 CV     1
 ASSI {  363}
   (  segid "LIM1" and resid 23   and name HD1%)
   (( segid "LIM1" and resid 32   and name HD1 ))
      4.600     2.600     1.400 peak   363 spectrum    2 weight  0.11000E+01 volume  0.77253E-03 ppm1      0.508 ppm2      1.703 CV     1
 ASSI {  365}
   (( segid "LIM1" and resid 33   and name HA  ))
   (( segid "LIM1" and resid 33   and name HB  ))
      2.600     0.800     0.800 peak   365 spectrum    2 weight  0.11000E+01 volume  0.58132E-02 ppm1      4.330 ppm2      4.501 CV     1
 ASSI {  367}
   (  segid "LIM1" and resid 33   and name HG2%)
   (( segid "LIM1" and resid 33   and name HB  ))
      2.100     0.600     0.600 peak   367 spectrum    2 weight  0.11000E+01 volume  0.15146E-01 ppm1      1.304 ppm2      4.496 CV     1
 ASSI {  368}
   (( segid "LIM1" and resid 33   and name HA  ))
   (  segid "LIM1" and resid 33   and name HG2%)
      2.400     2.400     3.600 peak   368 spectrum    2 weight  0.11000E+01 volume  0.90776E-02 ppm1      4.313 ppm2      1.307 CV     1
 ASSI {  370}
   (( segid "LIM1" and resid 34   and name HA  ))
   (( segid "LIM1" and resid 34   and name HB1 ))
      2.700     0.900     0.900 peak   370 spectrum    2 weight  0.11000E+01 volume  0.25476E-02 ppm1      4.455 ppm2      3.452 CV     1
 ASSI {  371}
   (( segid "LIM1" and resid 34   and name HA  ))
   (( segid "LIM1" and resid 34   and name HB2 ))
      3.500     1.600     1.600 peak   371 spectrum    2 weight  0.11000E+01 volume  0.15875E-02 ppm1      4.452 ppm2      3.147 CV     1
 ASSI {  374}
   (( segid "LIM1" and resid 34   and name HB2 ))
   (( segid "LIM1" and resid 34   and name HB1 ))
      2.200     0.600     0.600 peak   374 spectrum    2 weight  0.11000E+01 volume  0.49637E-02 ppm1      3.160 ppm2      3.457 CV     1
 ASSI {  376}
   (( segid "LIM1" and resid 35   and name HB1 ))
   (  segid "LIM1" and resid 35   and name HD% )
      2.700     0.900     0.900 peak   376 spectrum    2 weight  0.11000E+01 volume  0.27285E-02 ppm1      3.331 ppm2      6.543 CV     1
 ASSI {  378}
   (( segid "LIM1" and resid 35   and name HB2 ))
   (( segid "LIM1" and resid 35   and name HA  ))
      2.900     1.000     1.000 peak   378 spectrum    2 weight  0.11000E+01 volume  0.16145E-02 ppm1      2.614 ppm2      4.171 CV     1
 ASSI {  380}
   (( segid "LIM1" and resid 35   and name HA  ))
   (( segid "LIM1" and resid 35   and name HB1 ))
      3.200     1.300     1.300 peak   380 spectrum    2 weight  0.11000E+01 volume  0.20425E-02 ppm1      4.145 ppm2      3.335 CV     1
 ASSI {  381}
   (( segid "LIM1" and resid 35   and name HB2 ))
   (( segid "LIM1" and resid 35   and name HB1 ))
      2.000     0.500     0.500 peak   381 spectrum    2 weight  0.11000E+01 volume  0.53008E-02 ppm1      2.622 ppm2      3.332 CV     1
 ASSI {  383}
   (( segid "LIM1" and resid 35   and name HA  ))
   (  segid "LIM1" and resid 56   and name HD1%)
      2.600     2.600     3.400 peak   383 spectrum    2 weight  0.11000E+01 volume  0.44459E-02 ppm1      4.167 ppm2     -0.102 CV     1
 ASSI {  386}
   (( segid "LIM1" and resid 35   and name HB2 ))
   (  segid "LIM1" and resid 35   and name HE% )
      5.500     3.800     0.500 peak   386 spectrum    2 weight  0.11000E+01 volume  0.16495E-03 ppm1      2.618 ppm2      6.392 CV     1
 ASSI {  387}
   (( segid "LIM1" and resid 35   and name HB1 ))
   (  segid "LIM1" and resid 35   and name HE% )
      4.900     3.000     1.100 peak   387 spectrum    2 weight  0.11000E+01 volume  0.39341E-03 ppm1      3.344 ppm2      6.404 CV     1
 ASSI {  388}
   (( segid "LIM1" and resid 36   and name HA  ))
   (( segid "LIM1" and resid 36   and name HB1 ))
      2.200     0.600     0.600 peak   388 spectrum    2 weight  0.11000E+01 volume  0.31548E-02 ppm1      4.758 ppm2      2.468 CV     1
 ASSI {  389}
   (( segid "LIM1" and resid 36   and name HB1 ))
   (( segid "LIM1" and resid 36   and name HD2 ))
      4.200     2.200     1.800 peak   389 spectrum    2 weight  0.11000E+01 volume  0.72465E-03 ppm1      2.458 ppm2      6.532 CV     1
 ASSI {  391}
   (( segid "LIM1" and resid 36   and name HA  ))
   (  segid "LIM1" and resid 35   and name HD% )
      3.500     1.500     1.500 peak   391 spectrum    2 weight  0.11000E+01 volume  0.14329E-02 ppm1      4.756 ppm2      6.540 CV     1
 ASSI {  392}
   (( segid "LIM1" and resid 36   and name HA  ))
   (  segid "LIM1" and resid 35   and name HE% )
      3.500     3.500     2.500 peak   392 spectrum    2 weight  0.11000E+01 volume  0.17092E-02 ppm1      4.751 ppm2      6.395 CV     1
 ASSI {  393}
   (( segid "LIM1" and resid 36   and name HA  ))
   (( segid "LIM1" and resid 43   and name HA  ))
      3.700     1.700     1.700 peak   393 spectrum    2 weight  0.11000E+01 volume  0.28336E-02 ppm1      4.757 ppm2      3.650 CV     1
 ASSI {  394}
   (( segid "LIM1" and resid 36   and name HB1 ))
   (( segid "LIM1" and resid 35   and name HA  ))
      3.200     3.200     2.800 peak   394 spectrum    2 weight  0.11000E+01 volume  0.18985E-02 ppm1      2.458 ppm2      4.094 CV     1
 ASSI {  397}
   (( segid "LIM1" and resid 43   and name HA  ))
   (( segid "LIM1" and resid 36   and name HB1 ))
      3.900     1.900     1.900 peak   397 spectrum    2 weight  0.11000E+01 volume  0.17419E-02 ppm1      3.655 ppm2      2.460 CV     1
 ASSI {  400}
   (( segid "LIM1" and resid 36   and name HA  ))
   (  segid "LIM1" and resid 44   and name HD2%)
      2.400     2.400     3.600 peak   400 spectrum    2 weight  0.11000E+01 volume  0.31882E-02 ppm1      4.757 ppm2      1.302 CV     1
 ASSI {  402}
   (( segid "LIM1" and resid 36   and name HA  ))
   (( segid "LIM1" and resid 44   and name HB1 ))
      4.800     2.900     1.200 peak   402 spectrum    2 weight  0.11000E+01 volume  0.76628E-03 ppm1      4.756 ppm2      0.716 CV     1
 ASSI {  403}
   (( segid "LIM1" and resid 36   and name HA  ))
   (  segid "LIM1" and resid 44   and name HD1%)
      4.600     2.700     1.400 peak   403 spectrum    2 weight  0.11000E+01 volume  0.13514E-02 ppm1      4.753 ppm2      0.467 CV     1
 ASSI {  404}
   (( segid "LIM1" and resid 36   and name HA  ))
   (( segid "LIM1" and resid 44   and name HG  ))
      3.700     1.700     1.700 peak   404 spectrum    2 weight  0.11000E+01 volume  0.12019E-02 ppm1      4.754 ppm2     -0.218 CV     1
 ASSI {  405}
   (( segid "LIM1" and resid 37   and name HA  ))
   (( segid "LIM1" and resid 37   and name HB1 ))
      2.900     1.000     1.000 peak   405 spectrum    2 weight  0.11000E+01 volume  0.21563E-02 ppm1      3.800 ppm2      3.347 CV     1
 ASSI {  407}
   (( segid "LIM1" and resid 37   and name HA  ))
   (( segid "LIM1" and resid 37   and name HB2 ))
      2.300     0.700     0.700 peak   407 spectrum    2 weight  0.11000E+01 volume  0.32180E-02 ppm1      3.800 ppm2      2.787 CV     1
 ASSI {  409}
   (( segid "LIM1" and resid 37   and name HA  ))
   (( segid "LIM1" and resid 57   and name HA  ))
      2.600     2.600     3.400 peak   409 spectrum    2 weight  0.11000E+01 volume  0.56462E-02 ppm1      3.804 ppm2      5.887 CV     1
 ASSI {  413}
   (( segid "LIM1" and resid 57   and name HA  ))
   (( segid "LIM1" and resid 37   and name HB1 ))
      4.000     2.000     2.000 peak   413 spectrum    2 weight  0.11000E+01 volume  0.65283E-03 ppm1      5.876 ppm2      3.351 CV     1
 ASSI {  414}
   (( segid "LIM1" and resid 57   and name HA  ))
   (( segid "LIM1" and resid 37   and name HB2 ))
      3.300     1.400     1.400 peak   414 spectrum    2 weight  0.11000E+01 volume  0.13312E-02 ppm1      5.876 ppm2      2.772 CV     1
 ASSI {  416}
   (( segid "LIM1" and resid 37   and name HA  ))
   (  segid "LIM1" and resid 57   and name HD% )
      4.000     2.000     2.000 peak   416 spectrum    2 weight  0.11000E+01 volume  0.61315E-03 ppm1      3.782 ppm2      7.236 CV     1
 ASSI {  417}
   (( segid "LIM1" and resid 37   and name HB2 ))
   (( segid "LIM1" and resid 37   and name HB1 ))
      1.800     0.400     0.400 peak   417 spectrum    2 weight  0.11000E+01 volume  0.77058E-02 ppm1      2.786 ppm2      3.344 CV     1
 ASSI {  418}
   (( segid "LIM1" and resid 37   and name HB2 ))
   (  segid "LIM1" and resid 44   and name HD1%)
      3.300     3.300     2.700 peak   418 spectrum    2 weight  0.11000E+01 volume  0.33390E-02 ppm1      2.767 ppm2      0.450 CV     1
 ASSI {  419}
   (( segid "LIM1" and resid 37   and name HB2 ))
   (( segid "LIM1" and resid 44   and name HG  ))
      3.800     1.800     1.800 peak   419 spectrum    2 weight  0.11000E+01 volume  0.13021E-02 ppm1      2.785 ppm2     -0.222 CV     1
 ASSI {  422}
   (( segid "LIM1" and resid 44   and name HG  ))
   (( segid "LIM1" and resid 37   and name HB1 ))
      4.800     2.900     1.200 peak   422 spectrum    2 weight  0.11000E+01 volume  0.88497E-03 ppm1     -0.221 ppm2      3.346 CV     1
 ASSI {  423}
   (( segid "LIM1" and resid 37   and name HA  ))
   (  segid "LIM1" and resid 44   and name HD1%)
      4.700     2.800     1.300 peak   423 spectrum    2 weight  0.11000E+01 volume  0.92453E-03 ppm1      3.802 ppm2      0.454 CV     1
 ASSI {  424}
   (( segid "LIM1" and resid 37   and name HA  ))
   (( segid "LIM1" and resid 44   and name HG  ))
      3.100     1.200     1.200 peak   424 spectrum    2 weight  0.11000E+01 volume  0.32327E-02 ppm1      3.804 ppm2     -0.220 CV     1
 ASSI {  427}
   (( segid "LIM1" and resid 38   and name HG1 ))
   (( segid "LIM1" and resid 38   and name HA  ))
      3.300     1.400     1.400 peak   427 spectrum    2 weight  0.11000E+01 volume  0.20068E-02 ppm1      2.868 ppm2      4.050 CV     1
 ASSI {  428}
   (( segid "LIM1" and resid 38   and name HG2 ))
   (( segid "LIM1" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   428 spectrum    2 weight  0.11000E+01 volume  0.30818E-02 ppm1      2.532 ppm2      4.049 CV     1
 ASSI {  431}
   (  segid "LIM1" and resid 38   and name HE% )
   (( segid "LIM1" and resid 38   and name HA  ))
      3.600     1.600     1.600 peak   431 spectrum    2 weight  0.11000E+01 volume  0.95511E-03 ppm1      2.318 ppm2      4.037 CV     1
 ASSI {  432}
   (( segid "LIM1" and resid 38   and name HB2 ))
   (( segid "LIM1" and resid 38   and name HG2 ))
      3.000     1.100     1.100 peak   432 spectrum    2 weight  0.11000E+01 volume  0.13470E-02 ppm1      1.543 ppm2      2.545 CV     1
 ASSI {  434}
   (( segid "LIM1" and resid 38   and name HG1 ))
   (( segid "LIM1" and resid 38   and name HB2 ))
      2.800     1.000     1.000 peak   434 spectrum    2 weight  0.11000E+01 volume  0.19150E-02 ppm1      2.871 ppm2      1.540 CV     1
 ASSI {  436}
   (( segid "LIM1" and resid 38   and name HB1 ))
   (( segid "LIM1" and resid 38   and name HG1 ))
      2.900     1.100     1.100 peak   436 spectrum    2 weight  0.11000E+01 volume  0.15640E-02 ppm1      2.156 ppm2      2.867 CV     1
 ASSI {  438}
   (( segid "LIM1" and resid 38   and name HB1 ))
   (( segid "LIM1" and resid 38   and name HG2 ))
      3.100     1.200     1.200 peak   438 spectrum    2 weight  0.11000E+01 volume  0.25936E-02 ppm1      2.164 ppm2      2.539 CV     1
 ASSI {  440}
   (( segid "LIM1" and resid 38   and name HB2 ))
   (( segid "LIM1" and resid 38   and name HB1 ))
      2.000     0.500     0.500 peak   440 spectrum    2 weight  0.11000E+01 volume  0.70364E-02 ppm1      1.535 ppm2      2.148 CV     1
 ASSI {  442}
   (( segid "LIM1" and resid 38   and name HA  ))
   (( segid "LIM1" and resid 38   and name HB2 ))
      3.100     1.200     1.200 peak   442 spectrum    2 weight  0.11000E+01 volume  0.24922E-02 ppm1      4.051 ppm2      1.529 CV     1
 ASSI {  444}
   (( segid "LIM1" and resid 38   and name HB1 ))
   (( segid "LIM1" and resid 38   and name HA  ))
      2.700     0.900     0.900 peak   444 spectrum    2 weight  0.11000E+01 volume  0.29603E-02 ppm1      2.147 ppm2      4.046 CV     1
 ASSI {  446}
   (( segid "LIM1" and resid 38   and name HB1 ))
   (  segid "LIM1" and resid 57   and name HE% )
      3.500     1.600     1.600 peak   446 spectrum    2 weight  0.11000E+01 volume  0.77878E-03 ppm1      2.132 ppm2      6.827 CV     1
 ASSI {  447}
   (  segid "LIM1" and resid 38   and name HE% )
   (( segid "LIM1" and resid 55   and name HA  ))
      3.300     3.300     2.700 peak   447 spectrum    2 weight  0.11000E+01 volume  0.22469E-02 ppm1      2.330 ppm2      4.442 CV     1
 ASSI {  448}
   (  segid "LIM1" and resid 38   and name HE% )
   (  segid "LIM1" and resid 30   and name HE% )
      3.000     3.000     3.000 peak   448 spectrum    2 weight  0.11000E+01 volume  0.23420E-02 ppm1      2.333 ppm2      7.221 CV     1
 ASSI {  449}
   (( segid "LIM1" and resid 57   and name HB1 ))
   (  segid "LIM1" and resid 57   and name HD% )
      2.800     0.900     0.900 peak   449 spectrum    2 weight  0.11000E+01 volume  0.25425E-02 ppm1      3.731 ppm2      7.249 CV     1
 ASSI {  450}
   (  segid "LIM1" and resid 38   and name HE% )
   (( segid "LIM1" and resid 38   and name HG1 ))
      2.700     0.900     0.900 peak   450 spectrum    2 weight  0.11000E+01 volume  0.28354E-02 ppm1      2.325 ppm2      2.871 CV     1
 ASSI {  452}
   (( segid "LIM1" and resid 38   and name HG1 ))
   (( segid "LIM1" and resid 55   and name HA  ))
      4.200     2.200     1.800 peak   452 spectrum    2 weight  0.11000E+01 volume  0.55236E-03 ppm1      2.862 ppm2      4.444 CV     1
 ASSI {  453}
   (( segid "LIM1" and resid 38   and name HG2 ))
   (( segid "LIM1" and resid 38   and name HG1 ))
      1.800     0.400     0.400 peak   453 spectrum    2 weight  0.11000E+01 volume  0.84354E-02 ppm1      2.533 ppm2      2.870 CV     1
 ASSI {  455}
   (  segid "LIM1" and resid 38   and name HE% )
   (( segid "LIM1" and resid 38   and name HG2 ))
      3.300     1.300     1.300 peak   455 spectrum    2 weight  0.11000E+01 volume  0.19497E-02 ppm1      2.324 ppm2      2.543 CV     1
 ASSI {  457}
   (( segid "LIM1" and resid 38   and name HG2 ))
   (( segid "LIM1" and resid 56   and name HG11))
      4.900     3.100     1.100 peak   457 spectrum    2 weight  0.11000E+01 volume  0.46273E-03 ppm1      2.519 ppm2      1.371 CV     1
 ASSI {  458}
   (  segid "LIM1" and resid 38   and name HE% )
   (( segid "LIM1" and resid 56   and name HG11))
      4.100     2.100     1.900 peak   458 spectrum    2 weight  0.11000E+01 volume  0.15686E-02 ppm1      2.334 ppm2      1.373 CV     1
 ASSI {  459}
   (  segid "LIM1" and resid 38   and name HE% )
   (( segid "LIM1" and resid 56   and name HG12))
      3.000     1.200     1.200 peak   459 spectrum    2 weight  0.11000E+01 volume  0.24331E-02 ppm1      2.331 ppm2      0.605 CV     1
 ASSI {  461}
   (( segid "LIM1" and resid 38   and name HG1 ))
   (( segid "LIM1" and resid 56   and name HG12))
      3.400     1.400     1.400 peak   461 spectrum    2 weight  0.11000E+01 volume  0.63603E-03 ppm1      2.888 ppm2      0.610 CV     1
 ASSI {  462}
   (( segid "LIM1" and resid 38   and name HG2 ))
   (( segid "LIM1" and resid 56   and name HG12))
      3.200     1.300     1.300 peak   462 spectrum    2 weight  0.11000E+01 volume  0.44838E-03 ppm1      2.506 ppm2      0.620 CV     1
 ASSI {  464}
   (  segid "LIM1" and resid 38   and name HE% )
   (  segid "LIM1" and resid 56   and name HG2%)
      3.500     1.500     1.500 peak   464 spectrum    2 weight  0.11000E+01 volume  0.88387E-03 ppm1      2.328 ppm2      0.269 CV     1
 ASSI {  465}
   (  segid "LIM1" and resid 38   and name HE% )
   (  segid "LIM1" and resid 56   and name HD1%)
      3.200     1.300     1.300 peak   465 spectrum    2 weight  0.11000E+01 volume  0.16029E-02 ppm1      2.332 ppm2     -0.104 CV     1
 ASSI {  467}
   (( segid "LIM1" and resid 38   and name HG1 ))
   (  segid "LIM1" and resid 56   and name HD1%)
      4.400     2.400     1.600 peak   467 spectrum    2 weight  0.11000E+01 volume  0.50588E-03 ppm1      2.879 ppm2     -0.100 CV     1
 ASSI {  469}
   (  segid "LIM1" and resid 39   and name HB% )
   (( segid "LIM1" and resid 57   and name HB1 ))
      3.400     1.500     1.500 peak   469 spectrum    2 weight  0.11000E+01 volume  0.12400E-02 ppm1      1.807 ppm2      3.723 CV     1
 ASSI {  470}
   (  segid "LIM1" and resid 39   and name HB% )
   (( segid "LIM1" and resid 61   and name HB2 ))
      2.700     2.700     3.300 peak   470 spectrum    2 weight  0.11000E+01 volume  0.49234E-02 ppm1      1.801 ppm2      2.815 CV     1
 ASSI {  471}
   (  segid "LIM1" and resid 56   and name HD1%)
   (  segid "LIM1" and resid 12   and name HB% )
      2.600     2.600     3.400 peak   471 spectrum    2 weight  0.11000E+01 volume  0.98522E-03 ppm1     -0.095 ppm2      1.780 CV     1
 ASSI {  472}
   (  segid "LIM1" and resid 39   and name HB% )
   (  segid "LIM1" and resid 57   and name HE% )
      2.600     2.600     3.400 peak   472 spectrum    2 weight  0.11000E+01 volume  0.45726E-02 ppm1      1.798 ppm2      6.824 CV     1
 ASSI {  474}
   (( segid "LIM1" and resid 61   and name HB1 ))
   (  segid "LIM1" and resid 39   and name HB% )
      3.100     1.200     1.200 peak   474 spectrum    2 weight  0.11000E+01 volume  0.14171E-02 ppm1      3.156 ppm2      1.796 CV     1
 ASSI {  479}
   (( segid "LIM1" and resid 52   and name HA  ))
   (( segid "LIM1" and resid 52   and name HB1 ))
      3.200     1.300     1.300 peak   479 spectrum    2 weight  0.11000E+01 volume  0.23287E-02 ppm1      4.531 ppm2      3.046 CV     1
 ASSI {  481}
   (( segid "LIM1" and resid 52   and name HA  ))
   (( segid "LIM1" and resid 52   and name HB2 ))
      2.600     0.800     0.800 peak   481 spectrum    2 weight  0.11000E+01 volume  0.30285E-02 ppm1      4.533 ppm2      2.600 CV     1
 ASSI {  483}
   (( segid "LIM1" and resid 40   and name HA  ))
   (( segid "LIM1" and resid 40   and name HB2 ))
      3.000     1.100     1.100 peak   483 spectrum    2 weight  0.11000E+01 volume  0.25525E-02 ppm1      4.891 ppm2      2.641 CV     1
 ASSI {  485}
   (( segid "LIM1" and resid 40   and name HB2 ))
   (( segid "LIM1" and resid 40   and name HB1 ))
      2.100     0.600     0.600 peak   485 spectrum    2 weight  0.11000E+01 volume  0.56765E-02 ppm1      2.642 ppm2      3.260 CV     1
 ASSI {  487}
   (( segid "LIM1" and resid 41   and name HB1 ))
   (( segid "LIM1" and resid 41   and name HA  ))
      3.300     1.300     1.300 peak   487 spectrum    2 weight  0.11000E+01 volume  0.13041E-02 ppm1      2.094 ppm2      4.092 CV     1
 ASSI {  489}
   (( segid "LIM1" and resid 41   and name HA  ))
   (( segid "LIM1" and resid 41   and name HB2 ))
      2.400     0.700     0.700 peak   489 spectrum    2 weight  0.11000E+01 volume  0.40124E-02 ppm1      4.098 ppm2      1.941 CV     1
 ASSI {  492}
   (( segid "LIM1" and resid 41   and name HD1 ))
   (( segid "LIM1" and resid 41   and name HB1 ))
      3.200     1.300     1.300 peak   492 spectrum    2 weight  0.11000E+01 volume  0.29383E-02 ppm1      3.025 ppm2      2.095 CV     1
 ASSI {  493}
   (( segid "LIM1" and resid 41   and name HD1 ))
   (( segid "LIM1" and resid 41   and name HB2 ))
      2.800     1.000     1.000 peak   493 spectrum    2 weight  0.11000E+01 volume  0.25434E-02 ppm1      3.027 ppm2      1.946 CV     1
 ASSI {  495}
   (( segid "LIM1" and resid 41   and name HA  ))
   (( segid "LIM1" and resid 41   and name HG1 ))
      2.800     1.000     1.000 peak   495 spectrum    2 weight  0.11000E+01 volume  0.24747E-02 ppm1      4.090 ppm2      1.380 CV     1
 ASSI {  497}
   (( segid "LIM1" and resid 41   and name HD1 ))
   (( segid "LIM1" and resid 41   and name HA  ))
      2.100     0.600     0.600 peak   497 spectrum    2 weight  0.11000E+01 volume  0.59083E-02 ppm1      3.021 ppm2      4.101 CV     1
 ASSI {  498}
   (( segid "LIM1" and resid 41   and name HG1 ))
   (( segid "LIM1" and resid 41   and name HD1 ))
      3.200     1.200     1.200 peak   498 spectrum    2 weight  0.11000E+01 volume  0.14204E-02 ppm1      1.361 ppm2      3.016 CV     1
 ASSI {  500}
   (( segid "LIM1" and resid 42   and name HB2 ))
   (( segid "LIM1" and resid 42   and name HA  ))
      2.600     0.800     0.800 peak   500 spectrum    2 weight  0.11000E+01 volume  0.31029E-02 ppm1      1.591 ppm2      4.195 CV     1
 ASSI {  502}
   (( segid "LIM1" and resid 42   and name HB1 ))
   (( segid "LIM1" and resid 42   and name HE1 ))
      4.200     2.200     1.800 peak   502 spectrum    2 weight  0.11000E+01 volume  0.13004E-02 ppm1      2.024 ppm2      3.038 CV     1
 ASSI {  503}
   (( segid "LIM1" and resid 42   and name HB2 ))
   (( segid "LIM1" and resid 42   and name HE1 ))
      4.000     2.000     2.000 peak   503 spectrum    2 weight  0.11000E+01 volume  0.12309E-02 ppm1      1.588 ppm2      3.049 CV     1
 ASSI {  504}
   (( segid "LIM1" and resid 42   and name HB2 ))
   (( segid "LIM1" and resid 42   and name HB1 ))
      1.700     0.400     0.500 peak   504 spectrum    2 weight  0.11000E+01 volume  0.12038E-01 ppm1      1.605 ppm2      2.029 CV     1
 ASSI {  506}
   (( segid "LIM1" and resid 42   and name HA  ))
   (( segid "LIM1" and resid 42   and name HG1 ))
      2.700     0.900     0.900 peak   506 spectrum    2 weight  0.11000E+01 volume  0.34579E-02 ppm1      4.181 ppm2      1.448 CV     1
 ASSI {  508}
   (( segid "LIM1" and resid 42   and name HE1 ))
   (( segid "LIM1" and resid 42   and name HG1 ))
      2.300     0.600     0.600 peak   508 spectrum    2 weight  0.11000E+01 volume  0.10606E-01 ppm1      3.018 ppm2      1.452 CV     1
 ASSI {  509}
   (( segid "LIM1" and resid 42   and name HG1 ))
   (( segid "LIM1" and resid 37   and name HB2 ))
      4.000     2.000     2.000 peak   509 spectrum    2 weight  0.11000E+01 volume  0.10241E-02 ppm1      1.451 ppm2      2.789 CV     1
 ASSI {  510}
   (( segid "LIM1" and resid 42   and name HG1 ))
   (( segid "LIM1" and resid 37   and name HB1 ))
      4.900     3.000     1.100 peak   510 spectrum    2 weight  0.11000E+01 volume  0.55071E-03 ppm1      1.434 ppm2      3.356 CV     1
 ASSI {  511}
   (( segid "LIM1" and resid 37   and name HB1 ))
   (( segid "LIM1" and resid 41   and name HG1 ))
      4.500     2.600     1.500 peak   511 spectrum    2 weight  0.11000E+01 volume  0.61301E-03 ppm1      3.339 ppm2      1.444 CV     1
 ASSI {  514}
   (( segid "LIM1" and resid 42   and name HB2 ))
   (( segid "LIM1" and resid 37   and name HB2 ))
      4.500     2.500     1.500 peak   514 spectrum    2 weight  0.11000E+01 volume  0.65747E-03 ppm1      1.590 ppm2      2.777 CV     1
 ASSI {  515}
   (( segid "LIM1" and resid 42   and name HB2 ))
   (( segid "LIM1" and resid 37   and name HB1 ))
      4.900     3.000     1.100 peak   515 spectrum    2 weight  0.11000E+01 volume  0.42967E-03 ppm1      1.572 ppm2      3.324 CV     1
 ASSI {  517}
   (( segid "LIM1" and resid 42   and name HE1 ))
   (( segid "LIM1" and resid 42   and name HA  ))
      3.300     3.300     2.700 peak   517 spectrum    2 weight  0.11000E+01 volume  0.36817E-02 ppm1      2.991 ppm2      4.191 CV     1
 ASSI {  518}
   (  segid "LIM1" and resid 43   and name HB% )
   (( segid "LIM1" and resid 43   and name HA  ))
      2.100     0.500     0.500 peak   518 spectrum    2 weight  0.11000E+01 volume  0.12561E-01 ppm1      1.321 ppm2      3.651 CV     1
 ASSI {  520}
   (( segid "LIM1" and resid 43   and name HA  ))
   (( segid "LIM1" and resid 36   and name HD2 ))
      3.300     1.400     1.400 peak   520 spectrum    2 weight  0.11000E+01 volume  0.64440E-03 ppm1      3.664 ppm2      6.534 CV     1
 ASSI {  521}
   (( segid "LIM1" and resid 43   and name HA  ))
   (( segid "LIM1" and resid 36   and name HE1 ))
      3.100     3.100     2.900 peak   521 spectrum    2 weight  0.11000E+01 volume  0.39697E-03 ppm1      3.662 ppm2      7.760 CV     1
 ASSI {  523}
   (  segid "LIM1" and resid 43   and name HB% )
   (( segid "LIM1" and resid 36   and name HD2 ))
      4.700     2.800     1.300 peak   523 spectrum    2 weight  0.11000E+01 volume  0.32101E-03 ppm1      1.319 ppm2      6.527 CV     1
 ASSI {  524}
   (  segid "LIM1" and resid 43   and name HB% )
   (( segid "LIM1" and resid 36   and name HB1 ))
      4.900     3.000     1.100 peak   524 spectrum    2 weight  0.11000E+01 volume  0.82294E-03 ppm1      1.296 ppm2      2.469 CV     1
 ASSI {  526}
   (( segid "LIM1" and resid 44   and name HA  ))
   (( segid "LIM1" and resid 44   and name HB1 ))
      2.600     0.800     0.800 peak   526 spectrum    2 weight  0.11000E+01 volume  0.28120E-02 ppm1      4.386 ppm2      0.696 CV     1
 ASSI {  527}
   (( segid "LIM1" and resid 44   and name HB1 ))
   (( segid "LIM1" and resid 49   and name HB  ))
      3.000     1.100     1.100 peak   527 spectrum    2 weight  0.11000E+01 volume  0.75126E-03 ppm1      0.711 ppm2      1.822 CV     1
 ASSI {  528}
   (( segid "LIM1" and resid 49   and name HB  ))
   (  segid "LIM1" and resid 49   and name HG2%)
      2.200     2.200     3.800 peak   528 spectrum    2 weight  0.11000E+01 volume  0.67915E-02 ppm1      1.838 ppm2      0.714 CV     1
 ASSI {  529}
   (( segid "LIM1" and resid 44   and name HB1 ))
   (  segid "LIM1" and resid 44   and name HD2%)
      3.600     1.600     1.600 peak   529 spectrum    2 weight  0.11000E+01 volume  0.16758E-02 ppm1      0.673 ppm2      1.293 CV     1
 ASSI {  531}
   (( segid "LIM1" and resid 44   and name HB1 ))
   (  segid "LIM1" and resid 44   and name HD1%)
      2.700     0.900     0.900 peak   531 spectrum    2 weight  0.11000E+01 volume  0.22851E-02 ppm1      0.698 ppm2      0.452 CV     1
 ASSI {  534}
   (( segid "LIM1" and resid 44   and name HG  ))
   (( segid "LIM1" and resid 44   and name HB1 ))
      2.100     0.500     0.500 peak   534 spectrum    2 weight  0.11000E+01 volume  0.79028E-02 ppm1     -0.216 ppm2      0.711 CV     1
 ASSI {  538}
   (( segid "LIM1" and resid 44   and name HA  ))
   (  segid "LIM1" and resid 44   and name HD1%)
      2.200     0.600     0.600 peak   538 spectrum    2 weight  0.11000E+01 volume  0.63308E-02 ppm1      4.388 ppm2      0.451 CV     1
 ASSI {  540}
   (( segid "LIM1" and resid 44   and name HA  ))
   (  segid "LIM1" and resid 44   and name HD2%)
      3.000     1.100     1.100 peak   540 spectrum    2 weight  0.11000E+01 volume  0.15620E-02 ppm1      4.402 ppm2      1.286 CV     1
 ASSI {  542}
   (( segid "LIM1" and resid 44   and name HA  ))
   (  segid "LIM1" and resid 35   and name HD% )
      4.800     2.900     1.200 peak   542 spectrum    2 weight  0.11000E+01 volume  0.38158E-03 ppm1      4.387 ppm2      6.547 CV     1
 ASSI {  544}
   (( segid "LIM1" and resid 44   and name HG  ))
   (  segid "LIM1" and resid 44   and name HD2%)
      2.400     0.700     0.700 peak   544 spectrum    2 weight  0.11000E+01 volume  0.30909E-02 ppm1     -0.212 ppm2      1.295 CV     1
 ASSI {  545}
   (  segid "LIM1" and resid 44   and name HD2%)
   (  segid "LIM1" and resid 44   and name HD1%)
      2.600     2.600     3.400 peak   545 spectrum    2 weight  0.11000E+01 volume  0.26029E-02 ppm1      1.325 ppm2      0.458 CV     1
 ASSI {  547}
   (  segid "LIM1" and resid 44   and name HD1%)
   (( segid "LIM1" and resid 44   and name HG  ))
      2.100     0.600     0.600 peak   547 spectrum    2 weight  0.11000E+01 volume  0.73160E-02 ppm1      0.452 ppm2     -0.220 CV     1
 ASSI {  549}
   (  segid "LIM1" and resid 44   and name HD1%)
   (( segid "LIM1" and resid 58   and name HB1 ))
      2.800     1.000     1.000 peak   549 spectrum    2 weight  0.11000E+01 volume  0.28963E-02 ppm1      0.447 ppm2      3.460 CV     1
 ASSI {  552}
   (( segid "LIM1" and resid 49   and name HA  ))
   (  segid "LIM1" and resid 44   and name HD1%)
      2.400     0.700     0.700 peak   552 spectrum    2 weight  0.11000E+01 volume  0.33907E-02 ppm1      4.259 ppm2      0.449 CV     1
 ASSI {  553}
   (  segid "LIM1" and resid 44   and name HD1%)
   (( segid "LIM1" and resid 58   and name HA  ))
      2.100     0.500     0.500 peak   553 spectrum    2 weight  0.11000E+01 volume  0.49126E-02 ppm1      0.452 ppm2      5.177 CV     1
 ASSI {  555}
   (  segid "LIM1" and resid 44   and name HD1%)
   (  segid "LIM1" and resid 35   and name HE% )
      4.600     4.600     1.400 peak   555 spectrum    2 weight  0.11000E+01 volume  0.42049E-03 ppm1      0.450 ppm2      6.392 CV     1
 ASSI {  556}
   (  segid "LIM1" and resid 44   and name HD1%)
   (  segid "LIM1" and resid 35   and name HD% )
      5.000     5.000     1.000 peak   556 spectrum    2 weight  0.11000E+01 volume  0.31639E-03 ppm1      0.445 ppm2      6.555 CV     1
 ASSI {  557}
   (  segid "LIM1" and resid 44   and name HD1%)
   (( segid "LIM1" and resid 35   and name HZ  ))
      5.100     5.100     0.900 peak   557 spectrum    2 weight  0.11000E+01 volume  0.25174E-03 ppm1      0.457 ppm2      6.839 CV     1
 ASSI {  559}
   (( segid "LIM1" and resid 57   and name HA  ))
   (  segid "LIM1" and resid 44   and name HD1%)
      4.700     2.700     1.300 peak   559 spectrum    2 weight  0.11000E+01 volume  0.31585E-03 ppm1      5.894 ppm2      0.456 CV     1
 ASSI {  560}
   (( segid "LIM1" and resid 44   and name HG  ))
   (  segid "LIM1" and resid 56   and name HG2%)
      4.300     4.300     1.700 peak   560 spectrum    2 weight  0.11000E+01 volume  0.11806E-02 ppm1     -0.208 ppm2      0.280 CV     1
 ASSI {  562}
   (( segid "LIM1" and resid 44   and name HG  ))
   (( segid "LIM1" and resid 56   and name HB  ))
      4.000     2.000     2.000 peak   562 spectrum    2 weight  0.11000E+01 volume  0.11197E-02 ppm1     -0.223 ppm2      0.944 CV     1
 ASSI {  565}
   (( segid "LIM1" and resid 49   and name HB  ))
   (( segid "LIM1" and resid 44   and name HG  ))
      2.900     1.100     1.100 peak   565 spectrum    2 weight  0.11000E+01 volume  0.16459E-02 ppm1      1.830 ppm2     -0.222 CV     1
 ASSI {  566}
   (( segid "LIM1" and resid 44   and name HA  ))
   (( segid "LIM1" and resid 37   and name HB2 ))
      4.700     2.700     1.300 peak   566 spectrum    2 weight  0.11000E+01 volume  0.68809E-03 ppm1      4.404 ppm2      2.779 CV     1
 ASSI {  568}
   (( segid "LIM1" and resid 44   and name HG  ))
   (( segid "LIM1" and resid 44   and name HA  ))
      3.600     1.600     1.600 peak   568 spectrum    2 weight  0.11000E+01 volume  0.14911E-02 ppm1     -0.218 ppm2      4.402 CV     1
 ASSI {  569}
   (( segid "LIM1" and resid 49   and name HA  ))
   (( segid "LIM1" and resid 44   and name HG  ))
      2.800     0.900     0.900 peak   569 spectrum    2 weight  0.11000E+01 volume  0.33489E-02 ppm1      4.256 ppm2     -0.221 CV     1
 ASSI {  571}
   (( segid "LIM1" and resid 58   and name HA  ))
   (( segid "LIM1" and resid 44   and name HG  ))
      3.800     1.800     1.800 peak   571 spectrum    2 weight  0.11000E+01 volume  0.11535E-02 ppm1      5.179 ppm2     -0.216 CV     1
 ASSI {  573}
   (( segid "LIM1" and resid 57   and name HA  ))
   (( segid "LIM1" and resid 44   and name HG  ))
      3.200     1.300     1.300 peak   573 spectrum    2 weight  0.11000E+01 volume  0.11122E-02 ppm1      5.881 ppm2     -0.217 CV     1
 ASSI {  576}
   (( segid "LIM1" and resid 44   and name HG  ))
   (( segid "LIM1" and resid 35   and name HZ  ))
      4.500     2.500     1.500 peak   576 spectrum    2 weight  0.11000E+01 volume  0.41639E-03 ppm1     -0.221 ppm2      6.838 CV     1
 ASSI {  578}
   (( segid "LIM1" and resid 45   and name HB2 ))
   (( segid "LIM1" and resid 45   and name HB1 ))
      1.800     0.400     0.400 peak   578 spectrum    2 weight  0.11000E+01 volume  0.10135E-01 ppm1      2.708 ppm2      3.166 CV     1
 ASSI {  580}
   (( segid "LIM1" and resid 46   and name HA  ))
   (  segid "LIM1" and resid 49   and name HG1%)
      3.100     3.100     2.900 peak   580 spectrum    2 weight  0.11000E+01 volume  0.17094E-02 ppm1      4.210 ppm2      1.021 CV     1
 ASSI {  582}
   (( segid "LIM1" and resid 46   and name HB1 ))
   (  segid "LIM1" and resid 49   and name HG1%)
      4.000     4.000     2.000 peak   582 spectrum    2 weight  0.11000E+01 volume  0.68284E-03 ppm1      3.970 ppm2      1.019 CV     1
 ASSI {  584}
   (( segid "LIM1" and resid 46   and name HB1 ))
   (( segid "LIM1" and resid 46   and name HA  ))
      2.500     0.800     0.800 peak   584 spectrum    2 weight  0.11000E+01 volume  0.77358E-02 ppm1      3.974 ppm2      4.222 CV     1
 ASSI {  585}
   (( segid "LIM1" and resid 47   and name HA  ))
   (( segid "LIM1" and resid 47   and name HB  ))
      2.400     0.700     0.700 peak   585 spectrum    2 weight  0.11000E+01 volume  0.75119E-02 ppm1      4.500 ppm2      4.320 CV     1
 ASSI {  588}
   (( segid "LIM1" and resid 47   and name HB  ))
   (  segid "LIM1" and resid 47   and name HG2%)
      2.200     0.600     0.600 peak   588 spectrum    2 weight  0.11000E+01 volume  0.11585E-01 ppm1      4.338 ppm2      1.188 CV     1
 ASSI {  589}
   (  segid "LIM1" and resid 47   and name HG2%)
   (( segid "LIM1" and resid 47   and name HA  ))
      2.500     0.800     0.800 peak   589 spectrum    2 weight  0.11000E+01 volume  0.85954E-02 ppm1      1.195 ppm2      4.511 CV     1
 ASSI {  591}
   (( segid "LIM1" and resid 48   and name HA  ))
   (  segid "LIM1" and resid 48   and name HG2%)
      2.500     0.800     0.800 peak   591 spectrum    2 weight  0.11000E+01 volume  0.79622E-02 ppm1      4.438 ppm2      1.207 CV     1
 ASSI {  592}
   (( segid "LIM1" and resid 48   and name HA  ))
   (( segid "LIM1" and resid 59   and name HE1 ))
      3.700     1.700     1.700 peak   592 spectrum    2 weight  0.11000E+01 volume  0.11281E-02 ppm1      4.426 ppm2      2.823 CV     1
 ASSI {  593}
   (( segid "LIM1" and resid 48   and name HA  ))
   (( segid "LIM1" and resid 59   and name HG1 ))
      3.900     1.900     1.900 peak   593 spectrum    2 weight  0.11000E+01 volume  0.44939E-03 ppm1      4.432 ppm2      1.486 CV     1
 ASSI {  594}
   (( segid "LIM1" and resid 48   and name HA  ))
   (( segid "LIM1" and resid 59   and name HD1 ))
      4.000     2.000     2.000 peak   594 spectrum    2 weight  0.11000E+01 volume  0.76615E-03 ppm1      4.444 ppm2      1.613 CV     1
 ASSI {  596}
   (( segid "LIM1" and resid 48   and name HB  ))
   (  segid "LIM1" and resid 44   and name HD1%)
      3.400     1.500     1.500 peak   596 spectrum    2 weight  0.11000E+01 volume  0.12786E-02 ppm1      4.425 ppm2      0.453 CV     1
 ASSI {  598}
   (  segid "LIM1" and resid 49   and name HG2%)
   (  segid "LIM1" and resid 49   and name HG1%)
      2.200     2.200     3.800 peak   598 spectrum    2 weight  0.11000E+01 volume  0.10563E-01 ppm1      0.714 ppm2      1.020 CV     1
 ASSI {  600}
   (  segid "LIM1" and resid 49   and name HG1%)
   (  segid "LIM1" and resid 56   and name HG2%)
      4.100     4.100     1.900 peak   600 spectrum    2 weight  0.11000E+01 volume  0.15905E-02 ppm1      1.026 ppm2      0.280 CV     1
 ASSI {  601}
   (  segid "LIM1" and resid 49   and name HG1%)
   (  segid "LIM1" and resid 56   and name HD1%)
      4.100     2.100     1.900 peak   601 spectrum    2 weight  0.11000E+01 volume  0.69306E-03 ppm1      1.027 ppm2     -0.087 CV     1
 ASSI {  602}
   (  segid "LIM1" and resid 49   and name HG2%)
   (  segid "LIM1" and resid 56   and name HD1%)
      2.700     2.700     3.300 peak   602 spectrum    2 weight  0.11000E+01 volume  0.22335E-02 ppm1      0.720 ppm2     -0.094 CV     1
 ASSI {  603}
   (  segid "LIM1" and resid 49   and name HG1%)
   (( segid "LIM1" and resid 44   and name HG  ))
      4.000     2.000     2.000 peak   603 spectrum    2 weight  0.11000E+01 volume  0.12763E-02 ppm1      1.026 ppm2     -0.218 CV     1
 ASSI {  604}
   (  segid "LIM1" and resid 49   and name HG2%)
   (( segid "LIM1" and resid 44   and name HG  ))
      2.500     2.500     3.500 peak   604 spectrum    2 weight  0.11000E+01 volume  0.83427E-02 ppm1      0.725 ppm2     -0.218 CV     1
 ASSI {  606}
   (( segid "LIM1" and resid 56   and name HB  ))
   (  segid "LIM1" and resid 56   and name HD1%)
      2.700     0.900     0.900 peak   606 spectrum    2 weight  0.11000E+01 volume  0.35436E-02 ppm1      0.943 ppm2     -0.103 CV     1
 ASSI {  607}
   (  segid "LIM1" and resid 49   and name HG2%)
   (  segid "LIM1" and resid 44   and name HD2%)
      3.500     3.500     2.500 peak   607 spectrum    2 weight  0.11000E+01 volume  0.24854E-02 ppm1      0.731 ppm2      1.277 CV     1
 ASSI {  610}
   (( segid "LIM1" and resid 49   and name HB  ))
   (  segid "LIM1" and resid 49   and name HG1%)
      2.400     0.700     0.700 peak   610 spectrum    2 weight  0.11000E+01 volume  0.55000E-02 ppm1      1.835 ppm2      1.023 CV     1
 ASSI {  611}
   (  segid "LIM1" and resid 49   and name HG1%)
   (( segid "LIM1" and resid 25   and name HB1 ))
      4.100     4.100     1.900 peak   611 spectrum    2 weight  0.11000E+01 volume  0.89422E-03 ppm1      1.023 ppm2      2.799 CV     1
 ASSI {  612}
   (  segid "LIM1" and resid 49   and name HG1%)
   (( segid "LIM1" and resid 25   and name HB2 ))
      3.900     3.900     2.100 peak   612 spectrum    2 weight  0.11000E+01 volume  0.70301E-03 ppm1      1.026 ppm2      2.564 CV     1
 ASSI {  615}
   (  segid "LIM1" and resid 49   and name HG2%)
   (( segid "LIM1" and resid 49   and name HA  ))
      2.300     2.300     3.700 peak   615 spectrum    2 weight  0.11000E+01 volume  0.97433E-02 ppm1      0.725 ppm2      4.259 CV     1
 ASSI {  617}
   (  segid "LIM1" and resid 49   and name HG2%)
   (  segid "LIM1" and resid 35   and name HE% )
      3.200     3.200     2.800 peak   617 spectrum    2 weight  0.11000E+01 volume  0.29468E-02 ppm1      0.723 ppm2      6.395 CV     1
 ASSI {  618}
   (  segid "LIM1" and resid 49   and name HG1%)
   (  segid "LIM1" and resid 35   and name HE% )
      3.000     3.000     3.000 peak   618 spectrum    2 weight  0.11000E+01 volume  0.31833E-02 ppm1      1.024 ppm2      6.395 CV     1
 ASSI {  619}
   (  segid "LIM1" and resid 49   and name HG1%)
   (  segid "LIM1" and resid 35   and name HD% )
      4.300     4.300     1.700 peak   619 spectrum    2 weight  0.11000E+01 volume  0.52235E-03 ppm1      1.023 ppm2      6.536 CV     1
 ASSI {  620}
   (  segid "LIM1" and resid 49   and name HG1%)
   (( segid "LIM1" and resid 35   and name HZ  ))
      2.400     2.400     3.600 peak   620 spectrum    2 weight  0.11000E+01 volume  0.69061E-02 ppm1      1.025 ppm2      6.838 CV     1
 ASSI {  621}
   (  segid "LIM1" and resid 49   and name HG2%)
   (  segid "LIM1" and resid 35   and name HD% )
      4.400     4.400     1.600 peak   621 spectrum    2 weight  0.11000E+01 volume  0.70926E-03 ppm1      0.705 ppm2      6.536 CV     1
 ASSI {  622}
   (  segid "LIM1" and resid 49   and name HG2%)
   (( segid "LIM1" and resid 35   and name HZ  ))
      2.700     2.700     3.300 peak   622 spectrum    2 weight  0.11000E+01 volume  0.46650E-02 ppm1      0.723 ppm2      6.836 CV     1
 ASSI {  623}
   (( segid "LIM1" and resid 49   and name HB  ))
   (  segid "LIM1" and resid 35   and name HE% )
      3.300     1.400     1.400 peak   623 spectrum    2 weight  0.11000E+01 volume  0.11921E-02 ppm1      1.828 ppm2      6.395 CV     1
 ASSI {  624}
   (( segid "LIM1" and resid 49   and name HB  ))
   (( segid "LIM1" and resid 35   and name HZ  ))
      3.400     1.500     1.500 peak   624 spectrum    2 weight  0.11000E+01 volume  0.99950E-03 ppm1      1.827 ppm2      6.836 CV     1
 ASSI {  626}
   (( segid "LIM1" and resid 49   and name HB  ))
   (( segid "LIM1" and resid 49   and name HA  ))
      2.000     0.500     0.500 peak   626 spectrum    2 weight  0.11000E+01 volume  0.10191E-01 ppm1      1.809 ppm2      4.277 CV     1
 ASSI {  628}
   (( segid "LIM1" and resid 50   and name HA  ))
   (( segid "LIM1" and resid 59   and name HG2 ))
      3.300     3.300     2.700 peak   628 spectrum    2 weight  0.11000E+01 volume  0.14908E-02 ppm1      4.244 ppm2      1.298 CV     1
 ASSI {  629}
   (( segid "LIM1" and resid 50   and name HA  ))
   (( segid "LIM1" and resid 59   and name HG1 ))
      4.400     2.400     1.600 peak   629 spectrum    2 weight  0.11000E+01 volume  0.33489E-03 ppm1      4.248 ppm2      1.495 CV     1
 ASSI {  633}
   (( segid "LIM1" and resid 58   and name HA  ))
   (  segid "LIM1" and resid 50   and name HB% )
      3.600     1.700     1.700 peak   633 spectrum    2 weight  0.11000E+01 volume  0.64054E-03 ppm1      5.181 ppm2      0.697 CV     1
 ASSI {  634}
   (  segid "LIM1" and resid 50   and name HB% )
   (( segid "LIM1" and resid 57   and name HA  ))
      4.700     4.700     1.300 peak   634 spectrum    2 weight  0.11000E+01 volume  0.26855E-03 ppm1      0.713 ppm2      5.886 CV     1
 ASSI {  637}
   (  segid "LIM1" and resid 50   and name HB% )
   (  segid "LIM1" and resid 62   and name HD% )
      2.700     2.700     3.300 peak   637 spectrum    2 weight  0.11000E+01 volume  0.48011E-02 ppm1      0.692 ppm2      6.839 CV     1
 ASSI {  638}
   (  segid "LIM1" and resid 50   and name HB% )
   (  segid "LIM1" and resid 57   and name HD% )
      3.600     3.600     2.400 peak   638 spectrum    2 weight  0.11000E+01 volume  0.10464E-02 ppm1      0.692 ppm2      7.255 CV     1
 ASSI {  640}
   (( segid "LIM1" and resid 51   and name HA  ))
   (  segid "LIM1" and resid 51   and name HB% )
      2.300     0.700     0.700 peak   640 spectrum    2 weight  0.11000E+01 volume  0.75204E-02 ppm1      5.084 ppm2      1.276 CV     1
 ASSI {  642}
   (( segid "LIM1" and resid 51   and name HA  ))
   (  segid "LIM1" and resid 56   and name HD1%)
      5.700     5.700     0.300 peak   642 spectrum    2 weight  0.11000E+01 volume  0.24732E-03 ppm1      5.059 ppm2     -0.087 CV     1
 ASSI {  643}
   (( segid "LIM1" and resid 51   and name HA  ))
   (  segid "LIM1" and resid 56   and name HG2%)
      3.400     1.400     1.400 peak   643 spectrum    2 weight  0.11000E+01 volume  0.22481E-02 ppm1      5.085 ppm2      0.272 CV     1
 ASSI {  644}
   (( segid "LIM1" and resid 51   and name HA  ))
   (  segid "LIM1" and resid 49   and name HG2%)
      3.800     1.800     1.800 peak   644 spectrum    2 weight  0.11000E+01 volume  0.78433E-03 ppm1      5.084 ppm2      0.715 CV     1
 ASSI {  645}
   (( segid "LIM1" and resid 51   and name HA  ))
   (( segid "LIM1" and resid 56   and name HB  ))
      4.400     2.400     1.600 peak   645 spectrum    2 weight  0.11000E+01 volume  0.36293E-03 ppm1      5.094 ppm2      0.935 CV     1
 ASSI {  649}
   (( segid "LIM1" and resid 51   and name HA  ))
   (( segid "LIM1" and resid 56   and name HA  ))
      2.300     0.600     0.600 peak   649 spectrum    2 weight  0.11000E+01 volume  0.58774E-02 ppm1      5.085 ppm2      4.407 CV     1
 ASSI {  652}
   (( segid "LIM1" and resid 51   and name HA  ))
   (  segid "LIM1" and resid 62   and name HD% )
      3.900     3.900     2.100 peak   652 spectrum    2 weight  0.11000E+01 volume  0.54170E-03 ppm1      5.098 ppm2      6.828 CV     1
 ASSI {  653}
   (( segid "LIM1" and resid 51   and name HA  ))
   (  segid "LIM1" and resid 57   and name HD% )
      3.600     3.600     2.400 peak   653 spectrum    2 weight  0.11000E+01 volume  0.91636E-03 ppm1      5.087 ppm2      7.243 CV     1
 ASSI {  654}
   (  segid "LIM1" and resid 51   and name HB% )
   (  segid "LIM1" and resid 62   and name HD% )
      4.600     4.600     1.400 peak   654 spectrum    2 weight  0.11000E+01 volume  0.36283E-03 ppm1      1.281 ppm2      6.842 CV     1
 ASSI {  655}
   (  segid "LIM1" and resid 51   and name HB% )
   (  segid "LIM1" and resid 62   and name HE% )
      4.600     4.600     1.400 peak   655 spectrum    2 weight  0.11000E+01 volume  0.40164E-03 ppm1      1.285 ppm2      6.630 CV     1
 ASSI {  656}
   (  segid "LIM1" and resid 51   and name HB% )
   (  segid "LIM1" and resid 57   and name HD% )
      4.600     4.600     1.400 peak   656 spectrum    2 weight  0.11000E+01 volume  0.38649E-03 ppm1      1.278 ppm2      7.237 CV     1
 ASSI {  657}
   (( segid "LIM1" and resid 52   and name HB1 ))
   (  segid "LIM1" and resid 66   and name HE% )
      3.900     3.900     2.100 peak   657 spectrum    2 weight  0.11000E+01 volume  0.50837E-03 ppm1      3.063 ppm2      6.195 CV     1
 ASSI {  658}
   (( segid "LIM1" and resid 52   and name HB1 ))
   (  segid "LIM1" and resid 62   and name HE% )
      5.000     5.000     1.000 peak   658 spectrum    2 weight  0.11000E+01 volume  0.70375E-03 ppm1      3.052 ppm2      6.630 CV     1
 ASSI {  659}
   (( segid "LIM1" and resid 52   and name HB1 ))
   (( segid "LIM1" and resid 52   and name HD2 ))
      3.500     1.500     1.500 peak   659 spectrum    2 weight  0.11000E+01 volume  0.77455E-03 ppm1      3.068 ppm2      6.730 CV     1
 ASSI {  661}
   (( segid "LIM1" and resid 52   and name HB1 ))
   (  segid "LIM1" and resid 57   and name HD% )
      4.200     4.200     1.800 peak   661 spectrum    2 weight  0.11000E+01 volume  0.21225E-03 ppm1      3.070 ppm2      7.264 CV     1
 ASSI {  662}
   (( segid "LIM1" and resid 52   and name HA  ))
   (  segid "LIM1" and resid 62   and name HE% )
      4.200     4.200     1.800 peak   662 spectrum    2 weight  0.11000E+01 volume  0.92735E-03 ppm1      4.535 ppm2      6.622 CV     1
 ASSI {  663}
   (( segid "LIM1" and resid 52   and name HA  ))
   (( segid "LIM1" and resid 52   and name HD2 ))
      3.800     1.800     1.800 peak   663 spectrum    2 weight  0.11000E+01 volume  0.60623E-03 ppm1      4.541 ppm2      6.730 CV     1
 ASSI {  664}
   (( segid "LIM1" and resid 52   and name HB2 ))
   (  segid "LIM1" and resid 57   and name HD% )
      3.900     3.900     2.100 peak   664 spectrum    2 weight  0.11000E+01 volume  0.47510E-03 ppm1      2.565 ppm2      7.261 CV     1
 ASSI {  665}
   (( segid "LIM1" and resid 52   and name HB2 ))
   (  segid "LIM1" and resid 62   and name HD% )
      3.200     3.200     2.800 peak   665 spectrum    2 weight  0.11000E+01 volume  0.24129E-02 ppm1      2.536 ppm2      6.827 CV     1
 ASSI {  666}
   (( segid "LIM1" and resid 52   and name HB2 ))
   (  segid "LIM1" and resid 62   and name HE% )
      2.800     2.800     3.200 peak   666 spectrum    2 weight  0.11000E+01 volume  0.16344E-02 ppm1      2.594 ppm2      6.624 CV     1
 ASSI {  668}
   (( segid "LIM1" and resid 52   and name HB2 ))
   (( segid "LIM1" and resid 52   and name HB1 ))
      2.100     0.600     0.600 peak   668 spectrum    2 weight  0.11000E+01 volume  0.52907E-02 ppm1      2.593 ppm2      3.052 CV     1
 ASSI {  670}
   (( segid "LIM1" and resid 52   and name HB2 ))
   (( segid "LIM1" and resid 55   and name HB1 ))
      4.000     2.000     2.000 peak   670 spectrum    2 weight  0.11000E+01 volume  0.24258E-02 ppm1      2.600 ppm2      2.013 CV     1
 ASSI {  671}
   (( segid "LIM1" and resid 52   and name HB1 ))
   (( segid "LIM1" and resid 55   and name HB1 ))
      4.800     2.800     1.200 peak   671 spectrum    2 weight  0.11000E+01 volume  0.37923E-03 ppm1      3.061 ppm2      2.004 CV     1
 ASSI {  672}
   (( segid "LIM1" and resid 53   and name HA  ))
   (( segid "LIM1" and resid 53   and name HB1 ))
      2.700     0.900     0.900 peak   672 spectrum    2 weight  0.11000E+01 volume  0.30032E-02 ppm1      3.525 ppm2      2.188 CV     1
 ASSI {  673}
   (( segid "LIM1" and resid 53   and name HA  ))
   (( segid "LIM1" and resid 53   and name HB2 ))
      2.700     0.900     0.900 peak   673 spectrum    2 weight  0.11000E+01 volume  0.44381E-02 ppm1      3.525 ppm2      1.939 CV     1
 ASSI {  674}
   (( segid "LIM1" and resid 53   and name HA  ))
   (( segid "LIM1" and resid 53   and name HG1 ))
      3.100     1.200     1.200 peak   674 spectrum    2 weight  0.11000E+01 volume  0.26726E-02 ppm1      3.524 ppm2      1.842 CV     1
 ASSI {  675}
   (( segid "LIM1" and resid 53   and name HA  ))
   (( segid "LIM1" and resid 53   and name HG2 ))
      2.700     0.900     0.900 peak   675 spectrum    2 weight  0.11000E+01 volume  0.36169E-02 ppm1      3.525 ppm2      1.677 CV     1
 ASSI {  680}
   (( segid "LIM1" and resid 53   and name HB1 ))
   (( segid "LIM1" and resid 52   and name HD2 ))
      4.300     2.300     1.700 peak   680 spectrum    2 weight  0.11000E+01 volume  0.64561E-03 ppm1      2.181 ppm2      6.733 CV     1
 ASSI {  681}
   (( segid "LIM1" and resid 53   and name HB2 ))
   (( segid "LIM1" and resid 52   and name HD2 ))
      3.900     1.900     1.900 peak   681 spectrum    2 weight  0.11000E+01 volume  0.35507E-03 ppm1      1.917 ppm2      6.736 CV     1
 ASSI {  682}
   (( segid "LIM1" and resid 53   and name HG1 ))
   (( segid "LIM1" and resid 53   and name HB1 ))
      2.800     1.000     1.000 peak   682 spectrum    2 weight  0.11000E+01 volume  0.47833E-02 ppm1      1.850 ppm2      2.189 CV     1
 ASSI {  683}
   (( segid "LIM1" and resid 53   and name HG2 ))
   (( segid "LIM1" and resid 53   and name HB1 ))
      2.700     0.900     0.900 peak   683 spectrum    2 weight  0.11000E+01 volume  0.34603E-02 ppm1      1.671 ppm2      2.189 CV     1
 ASSI {  685}
   (( segid "LIM1" and resid 53   and name HG1 ))
   (( segid "LIM1" and resid 52   and name HD2 ))
      3.800     1.800     1.800 peak   685 spectrum    2 weight  0.11000E+01 volume  0.54261E-03 ppm1      1.837 ppm2      6.728 CV     1
 ASSI {  687}
   (( segid "LIM1" and resid 54   and name HB1 ))
   (( segid "LIM1" and resid 54   and name HA  ))
      2.400     0.700     0.700 peak   687 spectrum    2 weight  0.11000E+01 volume  0.81195E-02 ppm1      4.017 ppm2      4.578 CV     1
 ASSI {  688}
   (( segid "LIM1" and resid 55   and name HG1 ))
   (  segid "LIM1" and resid 57   and name HE% )
      3.900     3.900     2.100 peak   688 spectrum    2 weight  0.11000E+01 volume  0.93568E-03 ppm1      2.396 ppm2      6.822 CV     1
 ASSI {  689}
   (( segid "LIM1" and resid 55   and name HG1 ))
   (( segid "LIM1" and resid 55   and name HA  ))
      3.400     1.400     1.400 peak   689 spectrum    2 weight  0.11000E+01 volume  0.21441E-02 ppm1      2.372 ppm2      4.454 CV     1
 ASSI {  690}
   (( segid "LIM1" and resid 55   and name HB1 ))
   (  segid "LIM1" and resid 57   and name HE% )
      2.700     2.700     3.300 peak   690 spectrum    2 weight  0.11000E+01 volume  0.23523E-02 ppm1      2.013 ppm2      6.822 CV     1
 ASSI {  693}
   (( segid "LIM1" and resid 56   and name HA  ))
   (( segid "LIM1" and resid 56   and name HB  ))
      2.400     0.700     0.700 peak   693 spectrum    2 weight  0.11000E+01 volume  0.35439E-02 ppm1      4.402 ppm2      0.937 CV     1
 ASSI {  694}
   (( segid "LIM1" and resid 56   and name HG11))
   (( segid "LIM1" and resid 50   and name HA  ))
      3.700     3.700     2.300 peak   694 spectrum    2 weight  0.11000E+01 volume  0.15110E-02 ppm1      1.322 ppm2      4.265 CV     1
 ASSI {  696}
   (( segid "LIM1" and resid 56   and name HB  ))
   (( segid "LIM1" and resid 35   and name HZ  ))
      4.600     2.700     1.400 peak   696 spectrum    2 weight  0.11000E+01 volume  0.35977E-03 ppm1      0.892 ppm2      6.839 CV     1
 ASSI {  697}
   (( segid "LIM1" and resid 57   and name HB1 ))
   (  segid "LIM1" and resid 57   and name HE% )
      4.100     2.100     1.900 peak   697 spectrum    2 weight  0.11000E+01 volume  0.90356E-03 ppm1      3.731 ppm2      6.833 CV     1
 ASSI {  698}
   (( segid "LIM1" and resid 56   and name HB  ))
   (( segid "LIM1" and resid 56   and name HG11))
      2.700     0.900     0.900 peak   698 spectrum    2 weight  0.11000E+01 volume  0.18884E-02 ppm1      0.933 ppm2      1.395 CV     1
 ASSI {  700}
   (( segid "LIM1" and resid 56   and name HB  ))
   (  segid "LIM1" and resid 49   and name HG2%)
      2.600     0.900     0.900 peak   700 spectrum    2 weight  0.11000E+01 volume  0.26362E-02 ppm1      0.945 ppm2      0.715 CV     1
 ASSI {  701}
   (( segid "LIM1" and resid 56   and name HB  ))
   (( segid "LIM1" and resid 56   and name HG12))
      3.100     1.200     1.200 peak   701 spectrum    2 weight  0.11000E+01 volume  0.20307E-02 ppm1      0.939 ppm2      0.602 CV     1
 ASSI {  703}
   (( segid "LIM1" and resid 56   and name HA  ))
   (  segid "LIM1" and resid 49   and name HG2%)
      3.400     1.400     1.400 peak   703 spectrum    2 weight  0.11000E+01 volume  0.14719E-02 ppm1      4.395 ppm2      0.710 CV     1
 ASSI {  704}
   (( segid "LIM1" and resid 56   and name HA  ))
   (( segid "LIM1" and resid 56   and name HG12))
      3.700     1.700     1.700 peak   704 spectrum    2 weight  0.11000E+01 volume  0.88901E-03 ppm1      4.398 ppm2      0.616 CV     1
 ASSI {  705}
   (( segid "LIM1" and resid 56   and name HA  ))
   (  segid "LIM1" and resid 51   and name HB% )
      3.600     1.600     1.600 peak   705 spectrum    2 weight  0.11000E+01 volume  0.18818E-02 ppm1      4.402 ppm2      1.282 CV     1
 ASSI {  706}
   (( segid "LIM1" and resid 56   and name HA  ))
   (( segid "LIM1" and resid 56   and name HG11))
      3.400     1.400     1.400 peak   706 spectrum    2 weight  0.11000E+01 volume  0.81135E-03 ppm1      4.387 ppm2      1.375 CV     1
 ASSI {  708}
   (( segid "LIM1" and resid 56   and name HA  ))
   (  segid "LIM1" and resid 56   and name HD1%)
      4.300     2.300     1.700 peak   708 spectrum    2 weight  0.11000E+01 volume  0.10888E-02 ppm1      4.402 ppm2     -0.105 CV     1
 ASSI {  709}
   (( segid "LIM1" and resid 56   and name HA  ))
   (( segid "LIM1" and resid 44   and name HG  ))
      4.400     2.500     1.600 peak   709 spectrum    2 weight  0.11000E+01 volume  0.52783E-03 ppm1      4.400 ppm2     -0.229 CV     1
 ASSI {  711}
   (  segid "LIM1" and resid 56   and name HG2%)
   (  segid "LIM1" and resid 56   and name HD1%)
      2.200     2.200     3.800 peak   711 spectrum    2 weight  0.11000E+01 volume  0.89442E-02 ppm1      0.280 ppm2     -0.103 CV     1
 ASSI {  714}
   (  segid "LIM1" and resid 56   and name HG2%)
   (( segid "LIM1" and resid 56   and name HG12))
      2.900     1.000     1.000 peak   714 spectrum    2 weight  0.11000E+01 volume  0.18731E-02 ppm1      0.268 ppm2      0.624 CV     1
 ASSI {  717}
   (  segid "LIM1" and resid 38   and name HE% )
   (( segid "LIM1" and resid 56   and name HB  ))
      4.700     2.700     1.300 peak   717 spectrum    2 weight  0.11000E+01 volume  0.57457E-03 ppm1      2.339 ppm2      0.941 CV     1
 ASSI {  719}
   (  segid "LIM1" and resid 56   and name HD1%)
   (( segid "LIM1" and resid 56   and name HG12))
      2.400     0.700     0.700 peak   719 spectrum    2 weight  0.11000E+01 volume  0.46519E-02 ppm1     -0.096 ppm2      0.606 CV     1
 ASSI {  721}
   (( segid "LIM1" and resid 56   and name HG11))
   (( segid "LIM1" and resid 56   and name HG12))
      2.000     0.500     0.500 peak   721 spectrum    2 weight  0.11000E+01 volume  0.46579E-02 ppm1      1.380 ppm2      0.602 CV     1
 ASSI {  723}
   (( segid "LIM1" and resid 56   and name HG11))
   (( segid "LIM1" and resid 38   and name HG1 ))
      4.300     2.300     1.700 peak   723 spectrum    2 weight  0.11000E+01 volume  0.15261E-02 ppm1      1.356 ppm2      2.868 CV     1
 ASSI {  725}
   (  segid "LIM1" and resid 56   and name HD1%)
   (( segid "LIM1" and resid 35   and name HB2 ))
      2.900     2.900     3.100 peak   725 spectrum    2 weight  0.11000E+01 volume  0.57440E-03 ppm1     -0.109 ppm2      2.601 CV     1
 ASSI {  726}
   (  segid "LIM1" and resid 56   and name HD1%)
   (( segid "LIM1" and resid 56   and name HG11))
      2.300     0.700     0.700 peak   726 spectrum    2 weight  0.11000E+01 volume  0.55958E-02 ppm1     -0.095 ppm2      1.386 CV     1
 ASSI {  729}
   (( segid "LIM1" and resid 57   and name HA  ))
   (  segid "LIM1" and resid 57   and name HD% )
      2.800     1.000     1.000 peak   729 spectrum    2 weight  0.11000E+01 volume  0.27201E-02 ppm1      5.880 ppm2      7.249 CV     1
 ASSI {  730}
   (( segid "LIM1" and resid 57   and name HA  ))
   (  segid "LIM1" and resid 57   and name HE% )
      4.500     2.600     1.500 peak   730 spectrum    2 weight  0.11000E+01 volume  0.48444E-03 ppm1      5.879 ppm2      6.830 CV     1
 ASSI {  731}
   (( segid "LIM1" and resid 57   and name HB2 ))
   (  segid "LIM1" and resid 57   and name HD% )
      2.700     2.700     3.300 peak   731 spectrum    2 weight  0.11000E+01 volume  0.21262E-02 ppm1      2.858 ppm2      7.250 CV     1
 ASSI {  733}
   (( segid "LIM1" and resid 57   and name HB1 ))
   (( segid "LIM1" and resid 57   and name HA  ))
      2.700     0.900     0.900 peak   733 spectrum    2 weight  0.11000E+01 volume  0.19710E-02 ppm1      3.721 ppm2      5.885 CV     1
 ASSI {  735}
   (( segid "LIM1" and resid 57   and name HB2 ))
   (( segid "LIM1" and resid 57   and name HB1 ))
      2.100     0.500     0.500 peak   735 spectrum    2 weight  0.11000E+01 volume  0.40107E-02 ppm1      2.861 ppm2      3.741 CV     1
 ASSI {  737}
   (( segid "LIM1" and resid 57   and name HB2 ))
   (( segid "LIM1" and resid 61   and name HB1 ))
      4.600     2.600     1.400 peak   737 spectrum    2 weight  0.11000E+01 volume  0.66611E-03 ppm1      2.878 ppm2      3.146 CV     1
 ASSI {  738}
   (( segid "LIM1" and resid 57   and name HB1 ))
   (( segid "LIM1" and resid 61   and name HB1 ))
      3.500     1.500     1.500 peak   738 spectrum    2 weight  0.11000E+01 volume  0.10556E-02 ppm1      3.715 ppm2      3.163 CV     1
 ASSI {  740}
   (( segid "LIM1" and resid 61   and name HB1 ))
   (( segid "LIM1" and resid 57   and name HA  ))
      5.500     3.800     0.500 peak   740 spectrum    2 weight  0.11000E+01 volume  0.40040E-03 ppm1      3.144 ppm2      5.892 CV     1
 ASSI {  741}
   (( segid "LIM1" and resid 57   and name HB2 ))
   (  segid "LIM1" and resid 50   and name HB% )
      3.500     1.500     1.500 peak   741 spectrum    2 weight  0.11000E+01 volume  0.69393E-03 ppm1      2.850 ppm2      0.694 CV     1
 ASSI {  742}
   (( segid "LIM1" and resid 58   and name HA  ))
   (( segid "LIM1" and resid 58   and name HB1 ))
      2.300     0.700     0.700 peak   742 spectrum    2 weight  0.11000E+01 volume  0.45191E-02 ppm1      5.176 ppm2      3.464 CV     1
 ASSI {  743}
   (( segid "LIM1" and resid 58   and name HA  ))
   (( segid "LIM1" and resid 58   and name HB2 ))
      2.400     0.700     0.700 peak   743 spectrum    2 weight  0.11000E+01 volume  0.38007E-02 ppm1      5.177 ppm2      2.756 CV     1
 ASSI {  746}
   (( segid "LIM1" and resid 58   and name HB2 ))
   (( segid "LIM1" and resid 58   and name HB1 ))
      2.000     0.500     0.500 peak   746 spectrum    2 weight  0.11000E+01 volume  0.47809E-02 ppm1      2.748 ppm2      3.473 CV     1
 ASSI {  747}
   (( segid "LIM1" and resid 58   and name HB1 ))
   (( segid "LIM1" and resid 37   and name HB2 ))
      2.100     0.500     0.500 peak   747 spectrum    2 weight  0.11000E+01 volume  0.63469E-02 ppm1      3.463 ppm2      2.759 CV     1
 ASSI {  748}
   (( segid "LIM1" and resid 58   and name HB2 ))
   (( segid "LIM1" and resid 37   and name HB2 ))
      2.900     2.900     3.100 peak   748 spectrum    2 weight  0.11000E+01 volume  0.10149E-01 ppm1      2.771 ppm2      2.773 CV     1
 ASSI {  753}
   (( segid "LIM1" and resid 59   and name HA  ))
   (( segid "LIM1" and resid 59   and name HG1 ))
      3.300     1.300     1.300 peak   753 spectrum    2 weight  0.11000E+01 volume  0.16224E-02 ppm1      3.784 ppm2      1.484 CV     1
 ASSI {  754}
   (( segid "LIM1" and resid 59   and name HA  ))
   (( segid "LIM1" and resid 59   and name HG2 ))
      2.700     0.900     0.900 peak   754 spectrum    2 weight  0.11000E+01 volume  0.24650E-02 ppm1      3.780 ppm2      1.316 CV     1
 ASSI {  756}
   (( segid "LIM1" and resid 59   and name HD1 ))
   (( segid "LIM1" and resid 59   and name HA  ))
      4.000     2.000     2.000 peak   756 spectrum    2 weight  0.11000E+01 volume  0.16057E-02 ppm1      1.602 ppm2      3.774 CV     1
 ASSI {  758}
   (( segid "LIM1" and resid 59   and name HA  ))
   (( segid "LIM1" and resid 59   and name HB1 ))
      2.300     0.700     0.700 peak   758 spectrum    2 weight  0.11000E+01 volume  0.63845E-02 ppm1      3.775 ppm2      1.846 CV     1
 ASSI {  760}
   (( segid "LIM1" and resid 58   and name HA  ))
   (( segid "LIM1" and resid 59   and name HA  ))
      4.000     2.000     2.000 peak   760 spectrum    2 weight  0.11000E+01 volume  0.57672E-03 ppm1      5.175 ppm2      3.781 CV     1
 ASSI {  763}
   (( segid "LIM1" and resid 59   and name HB1 ))
   (( segid "LIM1" and resid 59   and name HE1 ))
      4.800     2.900     1.200 peak   763 spectrum    2 weight  0.11000E+01 volume  0.37291E-03 ppm1      1.810 ppm2      2.848 CV     1
 ASSI {  764}
   (( segid "LIM1" and resid 59   and name HA  ))
   (  segid "LIM1" and resid 50   and name HB% )
      2.600     2.600     3.400 peak   764 spectrum    2 weight  0.11000E+01 volume  0.50545E-02 ppm1      3.776 ppm2      0.690 CV     1
 ASSI {  766}
   (( segid "LIM1" and resid 59   and name HG1 ))
   (( segid "LIM1" and resid 59   and name HE1 ))
      3.100     1.200     1.200 peak   766 spectrum    2 weight  0.11000E+01 volume  0.22753E-02 ppm1      1.475 ppm2      2.822 CV     1
 ASSI {  767}
   (( segid "LIM1" and resid 59   and name HG2 ))
   (( segid "LIM1" and resid 59   and name HE1 ))
      3.300     1.400     1.400 peak   767 spectrum    2 weight  0.11000E+01 volume  0.24754E-02 ppm1      1.309 ppm2      2.821 CV     1
 ASSI {  768}
   (( segid "LIM1" and resid 59   and name HD1 ))
   (( segid "LIM1" and resid 59   and name HE1 ))
      2.400     0.700     0.700 peak   768 spectrum    2 weight  0.11000E+01 volume  0.85819E-02 ppm1      1.608 ppm2      2.827 CV     1
 ASSI {  769}
   (( segid "LIM1" and resid 59   and name HD1 ))
   (  segid "LIM1" and resid 50   and name HB% )
      2.300     2.300     3.700 peak   769 spectrum    2 weight  0.11000E+01 volume  0.24177E-02 ppm1      1.615 ppm2      0.686 CV     1
 ASSI {  771}
   (( segid "LIM1" and resid 59   and name HE1 ))
   (  segid "LIM1" and resid 50   and name HB% )
      2.500     2.500     3.500 peak   771 spectrum    2 weight  0.11000E+01 volume  0.15200E-02 ppm1      2.834 ppm2      0.700 CV     1
 ASSI {  772}
   (( segid "LIM1" and resid 60   and name HA  ))
   (  segid "LIM1" and resid 60   and name HG1%)
      2.400     0.700     0.700 peak   772 spectrum    2 weight  0.11000E+01 volume  0.80046E-02 ppm1      3.709 ppm2      1.041 CV     1
 ASSI {  774}
   (  segid "LIM1" and resid 60   and name HG2%)
   (( segid "LIM1" and resid 60   and name HA  ))
      3.800     1.800     1.800 peak   774 spectrum    2 weight  0.11000E+01 volume  0.59292E-03 ppm1      0.851 ppm2      3.728 CV     1
 ASSI {  776}
   (( segid "LIM1" and resid 60   and name HA  ))
   (( segid "LIM1" and resid 60   and name HB  ))
      3.000     1.100     1.100 peak   776 spectrum    2 weight  0.11000E+01 volume  0.25140E-02 ppm1      3.706 ppm2      2.277 CV     1
 ASSI {  777}
   (( segid "LIM1" and resid 60   and name HA  ))
   (( segid "LIM1" and resid 59   and name HB1 ))
      3.800     1.800     1.800 peak   777 spectrum    2 weight  0.11000E+01 volume  0.57148E-03 ppm1      3.714 ppm2      1.852 CV     1
 ASSI {  779}
   (( segid "LIM1" and resid 60   and name HB  ))
   (  segid "LIM1" and resid 60   and name HG2%)
      2.300     0.700     0.700 peak   779 spectrum    2 weight  0.11000E+01 volume  0.83507E-02 ppm1      2.281 ppm2      0.861 CV     1
 ASSI {  780}
   (( segid "LIM1" and resid 60   and name HB  ))
   (  segid "LIM1" and resid 60   and name HG1%)
      2.400     0.700     0.700 peak   780 spectrum    2 weight  0.11000E+01 volume  0.67122E-02 ppm1      2.282 ppm2      1.042 CV     1
 ASSI {  784}
   (( segid "LIM1" and resid 61   and name HB1 ))
   (( segid "LIM1" and resid 61   and name HA  ))
      2.600     0.900     0.900 peak   784 spectrum    2 weight  0.11000E+01 volume  0.34935E-02 ppm1      3.170 ppm2      3.730 CV     1
 ASSI {  785}
   (( segid "LIM1" and resid 61   and name HB2 ))
   (( segid "LIM1" and resid 61   and name HB1 ))
      1.900     0.500     0.500 peak   785 spectrum    2 weight  0.11000E+01 volume  0.75119E-02 ppm1      2.819 ppm2      3.161 CV     1
 ASSI {  787}
   (( segid "LIM1" and resid 61   and name HA  ))
   (( segid "LIM1" and resid 64   and name HG1 ))
      3.300     3.300     2.700 peak   787 spectrum    2 weight  0.11000E+01 volume  0.24440E-02 ppm1      3.731 ppm2      1.678 CV     1
 ASSI {  788}
   (( segid "LIM1" and resid 64   and name HD1 ))
   (( segid "LIM1" and resid 61   and name HA  ))
      2.800     1.000     1.000 peak   788 spectrum    2 weight  0.11000E+01 volume  0.34273E-02 ppm1      3.040 ppm2      3.731 CV     1
 ASSI {  790}
   (( segid "LIM1" and resid 61   and name HA  ))
   (( segid "LIM1" and resid 64   and name HG2 ))
      4.300     2.300     1.700 peak   790 spectrum    2 weight  0.11000E+01 volume  0.64302E-03 ppm1      3.723 ppm2      1.524 CV     1
 ASSI {  792}
   (( segid "LIM1" and resid 61   and name HA  ))
   (  segid "LIM1" and resid 39   and name HB% )
      3.600     3.600     2.400 peak   792 spectrum    2 weight  0.11000E+01 volume  0.10135E-02 ppm1      3.725 ppm2      1.798 CV     1
 ASSI {  793}
   (( segid "LIM1" and resid 61   and name HA  ))
   (  segid "LIM1" and resid 60   and name HG2%)
      2.600     2.600     3.400 peak   793 spectrum    2 weight  0.11000E+01 volume  0.11003E-02 ppm1      3.735 ppm2      0.860 CV     1
 ASSI {  794}
   (( segid "LIM1" and resid 61   and name HA  ))
   (  segid "LIM1" and resid 57   and name HD% )
      4.800     4.800     1.200 peak   794 spectrum    2 weight  0.11000E+01 volume  0.49933E-03 ppm1      3.729 ppm2      7.249 CV     1
 ASSI {  795}
   (( segid "LIM1" and resid 61   and name HB1 ))
   (  segid "LIM1" and resid 57   and name HD% )
      3.600     1.600     1.600 peak   795 spectrum    2 weight  0.11000E+01 volume  0.14498E-02 ppm1      3.155 ppm2      7.245 CV     1
 ASSI {  796}
   (( segid "LIM1" and resid 61   and name HB2 ))
   (  segid "LIM1" and resid 57   and name HD% )
      3.800     1.800     1.800 peak   796 spectrum    2 weight  0.11000E+01 volume  0.16451E-02 ppm1      2.814 ppm2      7.248 CV     1
 ASSI {  798}
   (( segid "LIM1" and resid 62   and name HA  ))
   (  segid "LIM1" and resid 57   and name HD% )
      3.700     3.700     2.300 peak   798 spectrum    2 weight  0.11000E+01 volume  0.76551E-03 ppm1      3.384 ppm2      7.251 CV     1
 ASSI {  799}
   (( segid "LIM1" and resid 62   and name HA  ))
   (  segid "LIM1" and resid 62   and name HD% )
      3.000     1.200     1.200 peak   799 spectrum    2 weight  0.11000E+01 volume  0.21071E-02 ppm1      3.384 ppm2      6.840 CV     1
 ASSI {  800}
   (( segid "LIM1" and resid 62   and name HA  ))
   (  segid "LIM1" and resid 66   and name HD% )
      3.100     3.100     2.900 peak   800 spectrum    2 weight  0.11000E+01 volume  0.12267E-02 ppm1      3.382 ppm2      6.251 CV     1
 ASSI {  801}
   (( segid "LIM1" and resid 62   and name HB1 ))
   (  segid "LIM1" and resid 62   and name HD% )
      2.800     1.000     1.000 peak   801 spectrum    2 weight  0.11000E+01 volume  0.23562E-02 ppm1      2.997 ppm2      6.844 CV     1
 ASSI {  802}
   (( segid "LIM1" and resid 62   and name HB2 ))
   (  segid "LIM1" and resid 62   and name HD% )
      3.300     1.400     1.400 peak   802 spectrum    2 weight  0.11000E+01 volume  0.82163E-03 ppm1      2.860 ppm2      6.844 CV     1
 ASSI {  803}
   (( segid "LIM1" and resid 62   and name HB1 ))
   (  segid "LIM1" and resid 62   and name HE% )
      4.900     3.000     1.100 peak   803 spectrum    2 weight  0.11000E+01 volume  0.40419E-03 ppm1      3.019 ppm2      6.632 CV     1
 ASSI {  804}
   (( segid "LIM1" and resid 62   and name HB2 ))
   (  segid "LIM1" and resid 62   and name HE% )
      4.800     2.800     1.200 peak   804 spectrum    2 weight  0.11000E+01 volume  0.46344E-03 ppm1      2.839 ppm2      6.632 CV     1
 ASSI {  807}
   (( segid "LIM1" and resid 62   and name HB1 ))
   (( segid "LIM1" and resid 62   and name HA  ))
      3.100     1.200     1.200 peak   807 spectrum    2 weight  0.11000E+01 volume  0.22218E-02 ppm1      3.024 ppm2      3.390 CV     1
 ASSI {  808}
   (( segid "LIM1" and resid 62   and name HB2 ))
   (( segid "LIM1" and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   808 spectrum    2 weight  0.11000E+01 volume  0.20409E-02 ppm1      2.928 ppm2      3.392 CV     1
 ASSI {  810}
   (( segid "LIM1" and resid 62   and name HB1 ))
   (  segid "LIM1" and resid 57   and name HD% )
      4.900     4.900     1.100 peak   810 spectrum    2 weight  0.11000E+01 volume  0.53838E-03 ppm1      3.015 ppm2      7.245 CV     1
 ASSI {  811}
   (( segid "LIM1" and resid 62   and name HB2 ))
   (  segid "LIM1" and resid 57   and name HD% )
      3.900     3.900     2.100 peak   811 spectrum    2 weight  0.11000E+01 volume  0.49476E-03 ppm1      2.912 ppm2      7.245 CV     1
 ASSI {  812}
   (( segid "LIM1" and resid 62   and name HA  ))
   (( segid "LIM1" and resid 59   and name HA  ))
      4.500     2.600     1.500 peak   812 spectrum    2 weight  0.11000E+01 volume  0.64981E-03 ppm1      3.375 ppm2      3.757 CV     1
 ASSI {  813}
   (( segid "LIM1" and resid 62   and name HB2 ))
   (( segid "LIM1" and resid 63   and name HA1 ))
      4.100     2.200     1.900 peak   813 spectrum    2 weight  0.11000E+01 volume  0.22027E-02 ppm1      2.920 ppm2      3.769 CV     1
 ASSI {  814}
   (( segid "LIM1" and resid 62   and name HB1 ))
   (( segid "LIM1" and resid 59   and name HA  ))
      2.700     0.900     0.900 peak   814 spectrum    2 weight  0.11000E+01 volume  0.21025E-02 ppm1      2.999 ppm2      3.767 CV     1
 ASSI {  817}
   (( segid "LIM1" and resid 64   and name HD1 ))
   (( segid "LIM1" and resid 64   and name HB1 ))
      2.200     0.600     0.600 peak   817 spectrum    2 weight  0.11000E+01 volume  0.12137E-01 ppm1      3.042 ppm2      1.671 CV     1
 ASSI {  818}
   (( segid "LIM1" and resid 64   and name HB1 ))
   (( segid "LIM1" and resid 61   and name HA  ))
      3.100     1.200     1.200 peak   818 spectrum    2 weight  0.11000E+01 volume  0.17906E-02 ppm1      1.694 ppm2      3.728 CV     1
 ASSI {  820}
   (( segid "LIM1" and resid 64   and name HA  ))
   (( segid "LIM1" and resid 64   and name HB1 ))
      2.600     0.800     0.800 peak   820 spectrum    2 weight  0.11000E+01 volume  0.54184E-02 ppm1      3.939 ppm2      1.688 CV     1
 ASSI {  821}
   (( segid "LIM1" and resid 64   and name HG1 ))
   (( segid "LIM1" and resid 64   and name HA  ))
      3.000     1.100     1.100 peak   821 spectrum    2 weight  0.11000E+01 volume  0.18985E-02 ppm1      1.688 ppm2      3.938 CV     1
 ASSI {  823}
   (( segid "LIM1" and resid 64   and name HA  ))
   (( segid "LIM1" and resid 64   and name HG2 ))
      2.900     1.000     1.000 peak   823 spectrum    2 weight  0.11000E+01 volume  0.31341E-02 ppm1      3.946 ppm2      1.500 CV     1
 ASSI {  824}
   (( segid "LIM1" and resid 64   and name HG1 ))
   (( segid "LIM1" and resid 64   and name HD1 ))
      2.500     0.800     0.800 peak   824 spectrum    2 weight  0.11000E+01 volume  0.63472E-02 ppm1      1.660 ppm2      3.039 CV     1
 ASSI {  825}
   (( segid "LIM1" and resid 64   and name HG2 ))
   (( segid "LIM1" and resid 64   and name HD1 ))
      2.400     0.700     0.700 peak   825 spectrum    2 weight  0.11000E+01 volume  0.54890E-02 ppm1      1.520 ppm2      3.041 CV     1
 ASSI {  827}
   (( segid "LIM1" and resid 64   and name HD1 ))
   (( segid "LIM1" and resid 64   and name HA  ))
      3.800     1.800     1.800 peak   827 spectrum    2 weight  0.11000E+01 volume  0.22589E-02 ppm1      3.044 ppm2      3.946 CV     1
 ASSI {  829}
   (( segid "LIM1" and resid 65   and name HB1 ))
   (  segid "LIM1" and resid 66   and name HD% )
      3.800     1.800     1.800 peak   829 spectrum    2 weight  0.11000E+01 volume  0.63408E-03 ppm1      0.795 ppm2      6.244 CV     1
 ASSI {  830}
   (( segid "LIM1" and resid 65   and name HB2 ))
   (  segid "LIM1" and resid 66   and name HD% )
      3.500     3.500     2.500 peak   830 spectrum    2 weight  0.11000E+01 volume  0.71920E-03 ppm1      0.521 ppm2      6.245 CV     1
 ASSI {  831}
   (( segid "LIM1" and resid 65   and name HA  ))
   (  segid "LIM1" and resid 66   and name HD% )
      4.500     4.500     1.500 peak   831 spectrum    2 weight  0.11000E+01 volume  0.57941E-03 ppm1      3.719 ppm2      6.241 CV     1
 ASSI {  832}
   (( segid "LIM1" and resid 65   and name HG1 ))
   (  segid "LIM1" and resid 66   and name HD% )
      4.600     4.600     1.400 peak   832 spectrum    2 weight  0.11000E+01 volume  0.41391E-03 ppm1      0.855 ppm2      6.244 CV     1
 ASSI {  833}
   (( segid "LIM1" and resid 65   and name HG2 ))
   (  segid "LIM1" and resid 66   and name HD% )
      4.300     2.300     1.700 peak   833 spectrum    2 weight  0.11000E+01 volume  0.63933E-03 ppm1      0.574 ppm2      6.241 CV     1
 ASSI {  834}
   (( segid "LIM1" and resid 65   and name HD2 ))
   (  segid "LIM1" and resid 66   and name HE% )
      3.200     3.200     2.800 peak   834 spectrum    2 weight  0.11000E+01 volume  0.16957E-02 ppm1      2.341 ppm2      6.202 CV     1
 ASSI {  837}
   (( segid "LIM1" and resid 65   and name HD2 ))
   (( segid "LIM1" and resid 65   and name HA  ))
      4.500     2.500     1.500 peak   837 spectrum    2 weight  0.11000E+01 volume  0.83353E-03 ppm1      2.349 ppm2      3.743 CV     1
 ASSI {  838}
   (( segid "LIM1" and resid 65   and name HD1 ))
   (( segid "LIM1" and resid 65   and name HA  ))
      4.200     2.200     1.800 peak   838 spectrum    2 weight  0.11000E+01 volume  0.10461E-02 ppm1      2.434 ppm2      3.728 CV     1
 ASSI {  839}
   (( segid "LIM1" and resid 65   and name HA  ))
   (( segid "LIM1" and resid 65   and name HB1 ))
      2.500     0.800     0.800 peak   839 spectrum    2 weight  0.11000E+01 volume  0.52658E-02 ppm1      3.732 ppm2      0.819 CV     1
 ASSI {  840}
   (( segid "LIM1" and resid 65   and name HA  ))
   (( segid "LIM1" and resid 65   and name HB2 ))
      2.500     0.800     0.800 peak   840 spectrum    2 weight  0.11000E+01 volume  0.70341E-02 ppm1      3.730 ppm2      0.568 CV     1
 ASSI {  843}
   (( segid "LIM1" and resid 65   and name HB1 ))
   (( segid "LIM1" and resid 65   and name HD1 ))
      3.300     1.300     1.300 peak   843 spectrum    2 weight  0.11000E+01 volume  0.89089E-03 ppm1      0.802 ppm2      2.443 CV     1
 ASSI {  844}
   (( segid "LIM1" and resid 65   and name HB2 ))
   (( segid "LIM1" and resid 65   and name HD1 ))
      3.500     1.600     1.600 peak   844 spectrum    2 weight  0.11000E+01 volume  0.80755E-03 ppm1      0.550 ppm2      2.437 CV     1
 ASSI {  845}
   (( segid "LIM1" and resid 65   and name HB2 ))
   (( segid "LIM1" and resid 65   and name HD2 ))
      3.400     1.500     1.500 peak   845 spectrum    2 weight  0.11000E+01 volume  0.81363E-03 ppm1      0.555 ppm2      2.349 CV     1
 ASSI {  846}
   (( segid "LIM1" and resid 65   and name HB1 ))
   (( segid "LIM1" and resid 65   and name HD2 ))
      3.900     1.900     1.900 peak   846 spectrum    2 weight  0.11000E+01 volume  0.65371E-03 ppm1      0.827 ppm2      2.333 CV     1
 ASSI {  847}
   (( segid "LIM1" and resid 65   and name HD1 ))
   (( segid "LIM1" and resid 65   and name HG1 ))
      2.600     0.900     0.900 peak   847 spectrum    2 weight  0.11000E+01 volume  0.49358E-02 ppm1      2.445 ppm2      0.852 CV     1
 ASSI {  848}
   (( segid "LIM1" and resid 65   and name HD2 ))
   (( segid "LIM1" and resid 65   and name HG1 ))
      2.500     0.800     0.800 peak   848 spectrum    2 weight  0.11000E+01 volume  0.38481E-02 ppm1      2.351 ppm2      0.857 CV     1
 ASSI {  849}
   (( segid "LIM1" and resid 65   and name HD1 ))
   (( segid "LIM1" and resid 65   and name HG2 ))
      2.600     0.800     0.800 peak   849 spectrum    2 weight  0.11000E+01 volume  0.38598E-02 ppm1      2.459 ppm2      0.557 CV     1
 ASSI {  850}
   (( segid "LIM1" and resid 65   and name HD2 ))
   (( segid "LIM1" and resid 65   and name HG2 ))
      2.700     0.900     0.900 peak   850 spectrum    2 weight  0.11000E+01 volume  0.46468E-02 ppm1      2.353 ppm2      0.577 CV     1
 ASSI {  851}
   (( segid "LIM1" and resid 65   and name HG2 ))
   (( segid "LIM1" and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   851 spectrum    2 weight  0.11000E+01 volume  0.24662E-02 ppm1      0.594 ppm2      3.731 CV     1
 ASSI {  852}
   (( segid "LIM1" and resid 65   and name HG1 ))
   (( segid "LIM1" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   852 spectrum    2 weight  0.11000E+01 volume  0.20261E-02 ppm1      0.857 ppm2      3.728 CV     1
 ASSI {  858}
   (( segid "LIM1" and resid 65   and name HB1 ))
   (( segid "LIM1" and resid 65   and name HB2 ))
      1.900     0.400     0.400 peak   858 spectrum    2 weight  0.11000E+01 volume  0.89721E-02 ppm1      0.801 ppm2      0.566 CV     1
 ASSI {  859}
   (( segid "LIM1" and resid 65   and name HG2 ))
   (( segid "LIM1" and resid 65   and name HG1 ))
      1.800     0.400     0.400 peak   859 spectrum    2 weight  0.11000E+01 volume  0.10703E-01 ppm1      0.600 ppm2      0.841 CV     1
 ASSI {  861}
   (( segid "LIM1" and resid 65   and name HD1 ))
   (  segid "LIM1" and resid 66   and name HE% )
      3.300     3.300     2.700 peak   861 spectrum    2 weight  0.11000E+01 volume  0.97826E-03 ppm1      2.426 ppm2      6.205 CV     1
 ASSI {  862}
   (( segid "LIM1" and resid 65   and name HD1 ))
   (  segid "LIM1" and resid 57   and name HE% )
      3.700     1.700     1.700 peak   862 spectrum    2 weight  0.11000E+01 volume  0.14098E-02 ppm1      2.442 ppm2      6.829 CV     1
 ASSI {  863}
   (( segid "LIM1" and resid 65   and name HD2 ))
   (  segid "LIM1" and resid 57   and name HE% )
      3.600     3.600     2.400 peak   863 spectrum    2 weight  0.11000E+01 volume  0.11086E-02 ppm1      2.369 ppm2      6.832 CV     1
 ASSI {  864}
   (( segid "LIM1" and resid 65   and name HD1 ))
   (  segid "LIM1" and resid 57   and name HD% )
      3.800     1.800     1.800 peak   864 spectrum    2 weight  0.11000E+01 volume  0.62232E-03 ppm1      2.451 ppm2      7.242 CV     1
 ASSI {  867}
   (( segid "LIM1" and resid 66   and name HA  ))
   (  segid "LIM1" and resid 66   and name HD% )
      2.600     0.900     0.900 peak   867 spectrum    2 weight  0.11000E+01 volume  0.56509E-02 ppm1      4.420 ppm2      6.256 CV     1
 ASSI {  869}
   (( segid "LIM1" and resid 66   and name HB2 ))
   (  segid "LIM1" and resid 62   and name HD% )
      4.100     2.100     1.900 peak   869 spectrum    2 weight  0.11000E+01 volume  0.25197E-03 ppm1      1.475 ppm2      6.839 CV     1
 ASSI {  871}
   (( segid "LIM1" and resid 66   and name HA  ))
   (( segid "LIM1" and resid 66   and name HB2 ))
      3.300     1.400     1.400 peak   871 spectrum    2 weight  0.11000E+01 volume  0.21620E-02 ppm1      4.415 ppm2      1.471 CV     1
 ASSI {  873}
   (( segid "LIM1" and resid 66   and name HB1 ))
   (( segid "LIM1" and resid 66   and name HB2 ))
      2.100     0.500     0.500 peak   873 spectrum    2 weight  0.11000E+01 volume  0.61513E-02 ppm1      2.800 ppm2      1.475 CV     1
 ASSI {  875}
   (( segid "LIM1" and resid 66   and name HB1 ))
   (( segid "LIM1" and resid 66   and name HA  ))
      2.400     0.700     0.700 peak   875 spectrum    2 weight  0.11000E+01 volume  0.56409E-02 ppm1      2.846 ppm2      4.453 CV     1
 ASSI {  876}
   (( segid "LIM1" and resid 68   and name HD1 ))
   (( segid "LIM1" and resid 68   and name HB1 ))
      3.500     1.500     1.500 peak   876 spectrum    2 weight  0.11000E+01 volume  0.19140E-02 ppm1      3.585 ppm2      2.211 CV     1
 ASSI {  878}
   (( segid "LIM1" and resid 68   and name HD1 ))
   (( segid "LIM1" and resid 68   and name HB2 ))
      3.700     1.700     1.700 peak   878 spectrum    2 weight  0.11000E+01 volume  0.20690E-02 ppm1      3.580 ppm2      1.821 CV     1
 ASSI {  880}
   (( segid "LIM1" and resid 68   and name HG1 ))
   (( segid "LIM1" and resid 68   and name HD1 ))
      2.000     0.500     0.500 peak   880 spectrum    2 weight  0.11000E+01 volume  0.12848E-01 ppm1      1.958 ppm2      3.583 CV     1
 ASSI {  882}
   (( segid "LIM1" and resid 68   and name HG1 ))
   (( segid "LIM1" and resid 68   and name HA  ))
      3.300     1.400     1.400 peak   882 spectrum    2 weight  0.11000E+01 volume  0.22840E-02 ppm1      1.953 ppm2      4.298 CV     1
 ASSI {  884}
   (( segid "LIM1" and resid 68   and name HG1 ))
   (( segid "LIM1" and resid 68   and name HB1 ))
      1.900     0.400     0.400 peak   884 spectrum    2 weight  0.11000E+01 volume  0.19223E-01 ppm1      1.955 ppm2      2.204 CV     1
 ASSI {  886}
   (( segid "LIM1" and resid 68   and name HB2 ))
   (( segid "LIM1" and resid 68   and name HA  ))
      2.600     0.900     0.900 peak   886 spectrum    2 weight  0.11000E+01 volume  0.78987E-02 ppm1      1.824 ppm2      4.285 CV     1
 ASSI {  887}
   (( segid "LIM1" and resid 68   and name HB1 ))
   (( segid "LIM1" and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   887 spectrum    2 weight  0.11000E+01 volume  0.68126E-02 ppm1      2.206 ppm2      4.299 CV     1
 ASSI {  890}
   (( segid "LIM1" and resid 68   and name HB2 ))
   (( segid "LIM1" and resid 68   and name HB1 ))
      1.800     0.400     0.400 peak   890 spectrum    2 weight  0.11000E+01 volume  0.14701E-01 ppm1      1.822 ppm2      2.206 CV     1
 ASSI {  893}
   (( segid "LIM1" and resid 69   and name HA  ))
   (( segid "LIM1" and resid 69   and name HD1 ))
      2.800     1.000     1.000 peak   893 spectrum    2 weight  0.11000E+01 volume  0.33363E-02 ppm1      4.286 ppm2      1.555 CV     1
 ASSI {  894}
   (( segid "LIM1" and resid 69   and name HA  ))
   (( segid "LIM1" and resid 69   and name HG1 ))
      3.000     1.100     1.100 peak   894 spectrum    2 weight  0.11000E+01 volume  0.36229E-02 ppm1      4.258 ppm2      1.335 CV     1
 ASSI {  895}
   (( segid "LIM1" and resid 71   and name HB  ))
   (( segid "LIM1" and resid 71   and name HA  ))
      2.700     0.900     0.900 peak   895 spectrum    2 weight  0.11000E+01 volume  0.40685E-02 ppm1      1.787 ppm2      4.087 CV     1
 ASSI {  897}
   (( segid "LIM1" and resid 71   and name HB  ))
   (( segid "LIM1" and resid 71   and name HG11))
      2.700     0.900     0.900 peak   897 spectrum    2 weight  0.11000E+01 volume  0.24940E-02 ppm1      1.783 ppm2      1.354 CV     1
 ASSI {  898}
   (( segid "LIM1" and resid 71   and name HB  ))
   (( segid "LIM1" and resid 71   and name HG12))
      3.400     1.500     1.500 peak   898 spectrum    2 weight  0.11000E+01 volume  0.15630E-02 ppm1      1.776 ppm2      1.085 CV     1
 ASSI {  899}
   (( segid "LIM1" and resid 71   and name HB  ))
   (  segid "LIM1" and resid 71   and name HG2%)
      2.300     0.700     0.700 peak   899 spectrum    2 weight  0.11000E+01 volume  0.83621E-02 ppm1      1.781 ppm2      0.792 CV     1
 ASSI {  903}
   (( segid "LIM1" and resid 71   and name HA  ))
   (( segid "LIM1" and resid 71   and name HG12))
      3.200     1.300     1.300 peak   903 spectrum    2 weight  0.11000E+01 volume  0.13088E-02 ppm1      4.099 ppm2      1.080 CV     1
 ASSI {  906}
   (  segid "LIM1" and resid 71   and name HG2%)
   (( segid "LIM1" and resid 71   and name HA  ))
      2.500     0.800     0.800 peak   906 spectrum    2 weight  0.11000E+01 volume  0.65062E-02 ppm1      0.799 ppm2      4.088 CV     1
 ASSI {  907}
   (( segid "LIM1" and resid 71   and name HG11))
   (( segid "LIM1" and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   907 spectrum    2 weight  0.11000E+01 volume  0.19638E-02 ppm1      1.359 ppm2      4.108 CV     1
 ASSI {  909}
   (( segid "LIM1" and resid 71   and name HG12))
   (( segid "LIM1" and resid 71   and name HG11))
      1.800     0.400     0.400 peak   909 spectrum    2 weight  0.11000E+01 volume  0.12583E-01 ppm1      1.088 ppm2      1.349 CV     1
 ASSI {  911}
   (( segid "LIM1" and resid 71   and name HG12))
   (  segid "LIM1" and resid 71   and name HD1%)
      2.100     0.600     0.600 peak   911 spectrum    2 weight  0.11000E+01 volume  0.15050E-01 ppm1      1.074 ppm2      0.776 CV     1
 ASSI {  913}
   (( segid "LIM1" and resid 71   and name HG11))
   (  segid "LIM1" and resid 71   and name HD1%)
      2.400     0.700     0.700 peak   913 spectrum    2 weight  0.11000E+01 volume  0.66248E-02 ppm1      1.343 ppm2      0.768 CV     1
 ASSI {  915}
   (  segid "LIM1" and resid 71   and name HD1%)
   (( segid "LIM1" and resid 71   and name HA  ))
      4.200     2.200     1.800 peak   915 spectrum    2 weight  0.11000E+01 volume  0.14592E-02 ppm1      0.774 ppm2      4.087 CV     1
 ASSI {  916}
   (  segid "LIM1" and resid 71   and name HD1%)
   (( segid "LIM1" and resid 71   and name HB  ))
      2.800     1.000     1.000 peak   916 spectrum    2 weight  0.11000E+01 volume  0.32774E-02 ppm1      0.771 ppm2      1.784 CV     1
 ASSI {  918}
   (( segid "LIM1" and resid 76   and name HA1 ))
   (  segid "LIM1" and resid 77   and name HB% )
      3.700     1.700     1.700 peak   918 spectrum    2 weight  0.11000E+01 volume  0.14861E-02 ppm1      3.892 ppm2      1.338 CV     1
 ASSI {  920}
   (( segid "LIM1" and resid 75   and name HA  ))
   (( segid "LIM1" and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak   920 spectrum    2 weight  0.11000E+01 volume  0.38108E-02 ppm1      4.295 ppm2      2.093 CV     1
 ASSI {  922}
   (( segid "LIM1" and resid 75   and name HA  ))
   (( segid "LIM1" and resid 75   and name HB2 ))
      2.600     0.800     0.800 peak   922 spectrum    2 weight  0.11000E+01 volume  0.43104E-02 ppm1      4.295 ppm2      1.927 CV     1
 ASSI {  924}
   (( segid "LIM1" and resid 75   and name HG1 ))
   (( segid "LIM1" and resid 75   and name HB2 ))
      2.200     0.600     0.600 peak   924 spectrum    2 weight  0.11000E+01 volume  0.99029E-02 ppm1      2.263 ppm2      1.924 CV     1
 ASSI {  925}
   (( segid "LIM1" and resid 75   and name HB1 ))
   (( segid "LIM1" and resid 75   and name HG1 ))
      2.500     0.800     0.800 peak   925 spectrum    2 weight  0.11000E+01 volume  0.10637E-01 ppm1      2.099 ppm2      2.274 CV     1
 ASSI {  926}
   (( segid "LIM1" and resid 75   and name HA  ))
   (( segid "LIM1" and resid 75   and name HG1 ))
      2.900     1.000     1.000 peak   926 spectrum    2 weight  0.11000E+01 volume  0.25304E-02 ppm1      4.296 ppm2      2.275 CV     1
 ASSI {  930}
   (  segid "LIM1" and resid 77   and name HB% )
   (( segid "LIM1" and resid 77   and name HA  ))
      2.200     0.600     0.600 peak   930 spectrum    2 weight  0.11000E+01 volume  0.13209E-01 ppm1      1.329 ppm2      4.246 CV     1
 ASSI {  931}
   (( segid "LIM1" and resid 79   and name HB1 ))
   (( segid "LIM1" and resid 79   and name HA  ))
      2.400     0.700     0.700 peak   931 spectrum    2 weight  0.11000E+01 volume  0.73325E-02 ppm1      2.821 ppm2      4.410 CV     1
 ASSI {  932}
   (( segid "LIM1" and resid 80   and name HB1 ))
   (( segid "LIM1" and resid 80   and name HA  ))
      2.900     1.100     1.100 peak   932 spectrum    2 weight  0.11000E+01 volume  0.19757E-02 ppm1      1.556 ppm2      4.354 CV     1
 ASSI {  933}
   (( segid "LIM1" and resid 80   and name HB1 ))
   (  segid "LIM1" and resid 80   and name HD2%)
      2.700     0.900     0.900 peak   933 spectrum    2 weight  0.11000E+01 volume  0.34290E-02 ppm1      1.574 ppm2      0.837 CV     1
 ASSI {  936}
   (  segid "LIM1" and resid 80   and name HD2%)
   (( segid "LIM1" and resid 80   and name HA  ))
      2.700     0.900     0.900 peak   936 spectrum    2 weight  0.11000E+01 volume  0.51825E-02 ppm1      0.792 ppm2      4.358 CV     1
 ASSI {  937}
   (( segid "LIM1" and resid 80   and name HG  ))
   (( segid "LIM1" and resid 80   and name HA  ))
      4.100     2.100     1.900 peak   937 spectrum    2 weight  0.11000E+01 volume  0.44570E-03 ppm1      1.565 ppm2      4.362 CV     1
 ASSI {  938}
   (( segid "LIM1" and resid 80   and name HG  ))
   (  segid "LIM1" and resid 80   and name HD2%)
      2.600     0.800     0.800 peak   938 spectrum    2 weight  0.11000E+01 volume  0.44304E-02 ppm1      1.563 ppm2      0.830 CV     1
 ASSI {  939}
   (  segid "LIM1" and resid 80   and name HD1%)
   (( segid "LIM1" and resid 80   and name HG  ))
      2.700     0.900     0.900 peak   939 spectrum    2 weight  0.11000E+01 volume  0.36743E-02 ppm1      0.871 ppm2      1.586 CV     1
 ASSI {  940}
   (( segid "LIM1" and resid 81   and name HB1 ))
   (( segid "LIM1" and resid 81   and name HA  ))
      2.300     0.700     0.700 peak   940 spectrum    2 weight  0.11000E+01 volume  0.86206E-02 ppm1      3.825 ppm2      4.429 CV     1
 ASSI {  941}
   (( segid "LIM1" and resid 82   and name HB  ))
   (  segid "LIM1" and resid 82   and name HG2%)
      2.400     0.700     0.700 peak   941 spectrum    2 weight  0.11000E+01 volume  0.72912E-02 ppm1      4.255 ppm2      1.134 CV     1
 ASSI {  942}
   (( segid "LIM1" and resid 3    and name HB1 ))
   (( segid "LIM1" and resid 3    and name HA  ))
      2.600     0.800     0.800 peak   942 spectrum    2 weight  0.11000E+01 volume  0.54685E-02 ppm1      2.638 ppm2      4.556 CV     1
 ASSI {  944}
   (  segid "LIM1" and resid 8    and name HB% )
   (  segid "LIM1" and resid 17   and name HG2%)
      3.700     3.700     2.300 peak   944 spectrum    2 weight  0.11000E+01 volume  0.16847E-02 ppm1      1.136 ppm2      0.122 CV     1
 ASSI {  945}
   (  segid "LIM1" and resid 8    and name HB% )
   (( segid "LIM1" and resid 17   and name HA  ))
      3.900     1.900     1.900 peak   945 spectrum    2 weight  0.11000E+01 volume  0.10323E-02 ppm1      1.134 ppm2      4.001 CV     1
 ASSI {  946}
   (( segid "LIM1" and resid 9    and name HA  ))
   (  segid "LIM1" and resid 16   and name HG2%)
      4.000     2.000     2.000 peak   946 spectrum    2 weight  0.11000E+01 volume  0.10960E-02 ppm1      3.966 ppm2      0.598 CV     1
 ASSI {  947}
   (( segid "LIM1" and resid 9    and name HA  ))
   (  segid "LIM1" and resid 17   and name HG2%)
      3.700     1.700     1.700 peak   947 spectrum    2 weight  0.11000E+01 volume  0.81441E-03 ppm1      3.969 ppm2      0.119 CV     1
 ASSI {  948}
   (( segid "LIM1" and resid 9    and name HA  ))
   (  segid "LIM1" and resid 17   and name HG1%)
      4.900     3.000     1.100 peak   948 spectrum    2 weight  0.11000E+01 volume  0.49526E-03 ppm1      3.956 ppm2      0.407 CV     1
 ASSI {  949}
   (( segid "LIM1" and resid 9    and name HA  ))
   (( segid "LIM1" and resid 9    and name HE1 ))
      4.800     2.900     1.200 peak   949 spectrum    2 weight  0.11000E+01 volume  0.37096E-03 ppm1      3.963 ppm2      2.827 CV     1
 ASSI {  950}
   (( segid "LIM1" and resid 9    and name HA  ))
   (( segid "LIM1" and resid 16   and name HB  ))
      4.500     2.500     1.500 peak   950 spectrum    2 weight  0.11000E+01 volume  0.72061E-03 ppm1      3.968 ppm2      3.679 CV     1
 ASSI {  952}
   (( segid "LIM1" and resid 17   and name HB  ))
   (( segid "LIM1" and resid 10   and name HB1 ))
      4.800     2.900     1.200 peak   952 spectrum    2 weight  0.11000E+01 volume  0.98128E-03 ppm1      0.976 ppm2      3.354 CV     1
 ASSI {  954}
   (( segid "LIM1" and resid 30   and name HA  ))
   (  segid "LIM1" and resid 12   and name HB% )
      4.800     2.800     1.200 peak   954 spectrum    2 weight  0.11000E+01 volume  0.27900E-03 ppm1      5.661 ppm2      1.755 CV     1
 ASSI {  955}
   (( segid "LIM1" and resid 14   and name HA  ))
   (( segid "LIM1" and resid 9    and name HB2 ))
      2.900     1.100     1.100 peak   955 spectrum    2 weight  0.11000E+01 volume  0.20353E-02 ppm1      3.973 ppm2      1.248 CV     1
 ASSI {  956}
   (( segid "LIM1" and resid 14   and name HA  ))
   (( segid "LIM1" and resid 9    and name HG2 ))
      2.700     2.700     3.300 peak   956 spectrum    2 weight  0.11000E+01 volume  0.86185E-03 ppm1      3.971 ppm2      1.070 CV     1
 ASSI {  957}
   (( segid "LIM1" and resid 15   and name HA  ))
   (( segid "LIM1" and resid 15   and name HB1 ))
      2.600     0.800     0.800 peak   957 spectrum    2 weight  0.11000E+01 volume  0.26319E-02 ppm1      4.716 ppm2      2.031 CV     1
 ASSI {  958}
   (( segid "LIM1" and resid 15   and name HA  ))
   (( segid "LIM1" and resid 15   and name HG2 ))
      2.900     1.000     1.000 peak   958 spectrum    2 weight  0.11000E+01 volume  0.16839E-02 ppm1      4.719 ppm2      1.468 CV     1
 ASSI {  959}
   (( segid "LIM1" and resid 15   and name HA  ))
   (( segid "LIM1" and resid 15   and name HD1 ))
      3.700     1.700     1.700 peak   959 spectrum    2 weight  0.11000E+01 volume  0.14409E-02 ppm1      4.708 ppm2      1.642 CV     1
 ASSI {  960}
   (( segid "LIM1" and resid 15   and name HA  ))
   (( segid "LIM1" and resid 15   and name HG1 ))
      3.400     1.400     1.400 peak   960 spectrum    2 weight  0.11000E+01 volume  0.15382E-02 ppm1      4.701 ppm2      1.580 CV     1
 ASSI {  961}
   (( segid "LIM1" and resid 15   and name HD1 ))
   (( segid "LIM1" and resid 15   and name HB1 ))
      2.400     0.700     0.700 peak   961 spectrum    2 weight  0.11000E+01 volume  0.52255E-02 ppm1      1.659 ppm2      2.039 CV     1
 ASSI {  962}
   (( segid "LIM1" and resid 15   and name HE1 ))
   (( segid "LIM1" and resid 15   and name HD1 ))
      2.200     0.600     0.600 peak   962 spectrum    2 weight  0.11000E+01 volume  0.11650E-01 ppm1      2.968 ppm2      1.666 CV     1
 ASSI {  963}
   (( segid "LIM1" and resid 16   and name HA  ))
   (  segid "LIM1" and resid 17   and name HG2%)
      4.000     2.000     2.000 peak   963 spectrum    2 weight  0.11000E+01 volume  0.69639E-03 ppm1      4.011 ppm2      0.118 CV     1
 ASSI {  964}
   (  segid "LIM1" and resid 16   and name HG2%)
   (  segid "LIM1" and resid 17   and name HG2%)
      3.900     3.900     2.100 peak   964 spectrum    2 weight  0.11000E+01 volume  0.18821E-02 ppm1      0.594 ppm2      0.112 CV     1
 ASSI {  965}
   (( segid "LIM1" and resid 17   and name HA  ))
   (( segid "LIM1" and resid 10   and name HB2 ))
      3.800     1.800     1.800 peak   965 spectrum    2 weight  0.11000E+01 volume  0.14798E-02 ppm1      3.998 ppm2      2.264 CV     1
 ASSI {  966}
   (  segid "LIM1" and resid 17   and name HG1%)
   (  segid "LIM1" and resid 18   and name HE% )
      4.100     4.100     1.900 peak   966 spectrum    2 weight  0.11000E+01 volume  0.78426E-03 ppm1      0.396 ppm2      6.724 CV     1
 ASSI {  967}
   (( segid "LIM1" and resid 30   and name HA  ))
   (( segid "LIM1" and resid 17   and name HB  ))
      4.700     2.700     1.300 peak   967 spectrum    2 weight  0.11000E+01 volume  0.23549E-03 ppm1      5.681 ppm2      0.973 CV     1
 ASSI {  971}
   (  segid "LIM1" and resid 17   and name HG1%)
   (( segid "LIM1" and resid 22   and name HB1 ))
      4.100     2.100     1.900 peak   971 spectrum    2 weight  0.11000E+01 volume  0.22740E-02 ppm1      0.415 ppm2      1.988 CV     1
 ASSI {  976}
   (( segid "LIM1" and resid 4    and name HA  ))
   (( segid "LIM1" and resid 4    and name HD1 ))
      3.300     1.400     1.400 peak   976 spectrum    2 weight  0.11000E+01 volume  0.27047E-02 ppm1      4.603 ppm2      7.158 CV     1
 ASSI {  977}
   (( segid "LIM1" and resid 18   and name HA  ))
   (  segid "LIM1" and resid 18   and name HD% )
      2.900     1.000     1.000 peak   977 spectrum    2 weight  0.11000E+01 volume  0.32295E-02 ppm1      4.597 ppm2      7.160 CV     1
 ASSI {  978}
   (( segid "LIM1" and resid 19   and name HB1 ))
   (( segid "LIM1" and resid 19   and name HD2 ))
      3.500     1.600     1.600 peak   978 spectrum    2 weight  0.11000E+01 volume  0.10275E-02 ppm1      3.064 ppm2      6.946 CV     1
 ASSI {  979}
   (( segid "LIM1" and resid 19   and name HB1 ))
   (( segid "LIM1" and resid 19   and name HA  ))
      2.500     0.800     0.800 peak   979 spectrum    2 weight  0.11000E+01 volume  0.54214E-02 ppm1      3.089 ppm2      4.132 CV     1
 ASSI {  981}
   (( segid "LIM1" and resid 19   and name HA  ))
   (( segid "LIM1" and resid 19   and name HD2 ))
      4.900     2.900     1.100 peak   981 spectrum    2 weight  0.11000E+01 volume  0.27635E-03 ppm1      4.126 ppm2      6.922 CV     1
 ASSI {  983}
   (  segid "LIM1" and resid 20   and name HB% )
   (  segid "LIM1" and resid 17   and name HG2%)
      3.800     3.800     2.200 peak   983 spectrum    2 weight  0.11000E+01 volume  0.13232E-02 ppm1      1.321 ppm2      0.114 CV     1
 ASSI {  984}
   (( segid "LIM1" and resid 20   and name HA  ))
   (( segid "LIM1" and resid 19   and name HD2 ))
      4.200     2.200     1.800 peak   984 spectrum    2 weight  0.11000E+01 volume  0.32562E-03 ppm1      4.025 ppm2      6.945 CV     1
 ASSI {  985}
   (( segid "LIM1" and resid 21   and name HG2 ))
   (  segid "LIM1" and resid 17   and name HG1%)
      3.700     1.700     1.700 peak   985 spectrum    2 weight  0.11000E+01 volume  0.68688E-03 ppm1      2.291 ppm2      0.402 CV     1
 ASSI {  986}
   (( segid "LIM1" and resid 21   and name HG2 ))
   (  segid "LIM1" and resid 17   and name HG2%)
      4.400     2.400     1.600 peak   986 spectrum    2 weight  0.11000E+01 volume  0.52218E-03 ppm1      2.285 ppm2      0.117 CV     1
 ASSI {  987}
   (( segid "LIM1" and resid 21   and name HG2 ))
   (( segid "LIM1" and resid 31   and name HD2 ))
      4.400     2.400     1.600 peak   987 spectrum    2 weight  0.11000E+01 volume  0.67642E-03 ppm1      2.276 ppm2      7.441 CV     1
 ASSI {  988}
   (( segid "LIM1" and resid 21   and name HG2 ))
   (( segid "LIM1" and resid 31   and name HE1 ))
      4.800     2.900     1.200 peak   988 spectrum    2 weight  0.11000E+01 volume  0.49019E-03 ppm1      2.269 ppm2      7.163 CV     1
 ASSI {  989}
   (( segid "LIM1" and resid 21   and name HG1 ))
   (( segid "LIM1" and resid 31   and name HD2 ))
      3.300     1.400     1.400 peak   989 spectrum    2 weight  0.11000E+01 volume  0.44583E-03 ppm1      2.379 ppm2      7.445 CV     1
 ASSI {  990}
   (( segid "LIM1" and resid 21   and name HG1 ))
   (( segid "LIM1" and resid 31   and name HE1 ))
      4.600     2.700     1.400 peak   990 spectrum    2 weight  0.11000E+01 volume  0.50807E-03 ppm1      2.368 ppm2      7.163 CV     1
 ASSI {  992}
   (  segid "LIM1" and resid 17   and name HG1%)
   (( segid "LIM1" and resid 21   and name HB1 ))
      4.200     2.200     1.800 peak   992 spectrum    2 weight  0.11000E+01 volume  0.85460E-03 ppm1      0.412 ppm2      2.487 CV     1
 ASSI {  993}
   (( segid "LIM1" and resid 23   and name HB  ))
   (  segid "LIM1" and resid 30   and name HD% )
      4.000     2.000     2.000 peak   993 spectrum    2 weight  0.11000E+01 volume  0.53263E-03 ppm1      1.188 ppm2      7.104 CV     1
 ASSI {  994}
   (  segid "LIM1" and resid 23   and name HG2%)
   (  segid "LIM1" and resid 30   and name HD% )
      3.200     1.300     1.300 peak   994 spectrum    2 weight  0.11000E+01 volume  0.13338E-02 ppm1     -0.068 ppm2      7.109 CV     1
 ASSI {  995}
   (( segid "LIM1" and resid 23   and name HG12))
   (  segid "LIM1" and resid 35   and name HD% )
      5.100     3.200     0.900 peak   995 spectrum    2 weight  0.11000E+01 volume  0.22212E-03 ppm1      0.700 ppm2      6.541 CV     1
 ASSI {  996}
   (( segid "LIM1" and resid 23   and name HG12))
   (  segid "LIM1" and resid 35   and name HE% )
      5.400     3.700     0.600 peak   996 spectrum    2 weight  0.11000E+01 volume  0.17537E-03 ppm1      0.711 ppm2      6.394 CV     1
 ASSI {  997}
   (( segid "LIM1" and resid 23   and name HG12))
   (( segid "LIM1" and resid 35   and name HZ  ))
      5.200     3.300     0.800 peak   997 spectrum    2 weight  0.11000E+01 volume  0.17696E-03 ppm1      0.700 ppm2      6.849 CV     1
 ASSI {  998}
   (( segid "LIM1" and resid 24   and name HA  ))
   (  segid "LIM1" and resid 30   and name HD% )
      3.800     1.800     1.800 peak   998 spectrum    2 weight  0.11000E+01 volume  0.76013E-03 ppm1      5.175 ppm2      7.116 CV     1
 ASSI {  999}
   (( segid "LIM1" and resid 55   and name HA  ))
   (( segid "LIM1" and resid 55   and name HB1 ))
      2.700     0.900     0.900 peak   999 spectrum    2 weight  0.11000E+01 volume  0.24511E-02 ppm1      4.449 ppm2      2.015 CV     1
 ASSI { 1000}
   (( segid "LIM1" and resid 28   and name HD1 ))
   (( segid "LIM1" and resid 28   and name HB1 ))
      3.600     1.700     1.700 peak  1000 spectrum    2 weight  0.11000E+01 volume  0.12122E-02 ppm1      3.112 ppm2      1.858 CV     1
 ASSI { 1001}
   (( segid "LIM1" and resid 28   and name HD1 ))
   (  segid "LIM1" and resid 30   and name HE% )
      3.700     3.700     2.300 peak  1001 spectrum    2 weight  0.11000E+01 volume  0.10523E-02 ppm1      3.134 ppm2      7.225 CV     1
 ASSI { 1002}
   (( segid "LIM1" and resid 29   and name HA  ))
   (( segid "LIM1" and resid 29   and name HB2 ))
      3.300     1.300     1.300 peak  1002 spectrum    2 weight  0.11000E+01 volume  0.18490E-02 ppm1      4.824 ppm2      3.120 CV     1
 ASSI { 1003}
   (( segid "LIM1" and resid 29   and name HA  ))
   (( segid "LIM1" and resid 29   and name HB1 ))
      2.600     0.900     0.900 peak  1003 spectrum    2 weight  0.11000E+01 volume  0.22231E-02 ppm1      4.826 ppm2      3.345 CV     1
 ASSI { 1004}
   (( segid "LIM1" and resid 29   and name HA  ))
   (( segid "LIM1" and resid 24   and name HA  ))
      2.500     0.800     0.800 peak  1004 spectrum    2 weight  0.11000E+01 volume  0.30516E-02 ppm1      4.823 ppm2      5.189 CV     1
 ASSI { 1006}
   (( segid "LIM1" and resid 29   and name HA  ))
   (  segid "LIM1" and resid 30   and name HD% )
      3.800     1.800     1.800 peak  1006 spectrum    2 weight  0.11000E+01 volume  0.56529E-03 ppm1      4.826 ppm2      7.109 CV     1
 ASSI { 1007}
   (( segid "LIM1" and resid 29   and name HB1 ))
   (( segid "LIM1" and resid 22   and name HA  ))
      4.500     2.600     1.500 peak  1007 spectrum    2 weight  0.11000E+01 volume  0.58418E-03 ppm1      3.346 ppm2      4.293 CV     1
 ASSI { 1008}
   (( segid "LIM1" and resid 29   and name HB2 ))
   (( segid "LIM1" and resid 22   and name HA  ))
      5.200     3.400     0.800 peak  1008 spectrum    2 weight  0.11000E+01 volume  0.67259E-03 ppm1      3.129 ppm2      4.281 CV     1
 ASSI { 1009}
   (( segid "LIM1" and resid 29   and name HB1 ))
   (( segid "LIM1" and resid 10   and name HA  ))
      4.000     2.000     2.000 peak  1009 spectrum    2 weight  0.11000E+01 volume  0.55656E-03 ppm1      3.347 ppm2      4.015 CV     1
 ASSI { 1010}
   (( segid "LIM1" and resid 29   and name HB2 ))
   (( segid "LIM1" and resid 10   and name HA  ))
      3.600     1.600     1.600 peak  1010 spectrum    2 weight  0.11000E+01 volume  0.68973E-03 ppm1      3.130 ppm2      4.025 CV     1
 ASSI { 1011}
   (( segid "LIM1" and resid 29   and name HA  ))
   (( segid "LIM1" and resid 24   and name HB1 ))
      4.200     2.200     1.800 peak  1011 spectrum    2 weight  0.11000E+01 volume  0.69914E-03 ppm1      4.822 ppm2      1.792 CV     1
 ASSI { 1012}
   (( segid "LIM1" and resid 29   and name HA  ))
   (( segid "LIM1" and resid 24   and name HG2 ))
      3.200     1.300     1.300 peak  1012 spectrum    2 weight  0.11000E+01 volume  0.10179E-02 ppm1      4.824 ppm2      2.014 CV     1
 ASSI { 1013}
   (( segid "LIM1" and resid 29   and name HA  ))
   (( segid "LIM1" and resid 24   and name HG1 ))
      4.300     2.400     1.700 peak  1013 spectrum    2 weight  0.11000E+01 volume  0.58159E-03 ppm1      4.816 ppm2      2.149 CV     1
 ASSI { 1014}
   (( segid "LIM1" and resid 64   and name HD1 ))
   (  segid "LIM1" and resid 60   and name HG2%)
      2.300     2.300     3.700 peak  1014 spectrum    2 weight  0.11000E+01 volume  0.20688E-02 ppm1      3.035 ppm2      0.858 CV     1
 ASSI { 1015}
   (( segid "LIM1" and resid 32   and name HA  ))
   (( segid "LIM1" and resid 23   and name HG12))
      4.500     2.500     1.500 peak  1015 spectrum    2 weight  0.11000E+01 volume  0.99046E-03 ppm1      3.972 ppm2      0.690 CV     1
 ASSI { 1016}
   (( segid "LIM1" and resid 34   and name HA  ))
   (  segid "LIM1" and resid 12   and name HB% )
      4.300     2.300     1.700 peak  1016 spectrum    2 weight  0.11000E+01 volume  0.85527E-03 ppm1      4.453 ppm2      1.773 CV     1
 ASSI { 1017}
   (( segid "LIM1" and resid 37   and name HB1 ))
   (( segid "LIM1" and resid 42   and name HB1 ))
      4.000     2.000     2.000 peak  1017 spectrum    2 weight  0.11000E+01 volume  0.51573E-03 ppm1      3.320 ppm2      2.014 CV     1
 ASSI { 1019}
   (( segid "LIM1" and resid 37   and name HB2 ))
   (( segid "LIM1" and resid 42   and name HB1 ))
      3.300     1.300     1.300 peak  1019 spectrum    2 weight  0.11000E+01 volume  0.37395E-03 ppm1      2.780 ppm2      2.014 CV     1
 ASSI { 1020}
   (( segid "LIM1" and resid 38   and name HB2 ))
   (  segid "LIM1" and resid 57   and name HD% )
      3.700     1.700     1.700 peak  1020 spectrum    2 weight  0.11000E+01 volume  0.34794E-03 ppm1      1.559 ppm2      7.256 CV     1
 ASSI { 1021}
   (( segid "LIM1" and resid 38   and name HB1 ))
   (( segid "LIM1" and resid 57   and name HA  ))
      5.300     3.500     0.700 peak  1021 spectrum    2 weight  0.11000E+01 volume  0.25458E-03 ppm1      2.134 ppm2      5.899 CV     1
 ASSI { 1023}
   (  segid "LIM1" and resid 38   and name HE% )
   (  segid "LIM1" and resid 57   and name HE% )
      4.800     4.800     1.200 peak  1023 spectrum    2 weight  0.11000E+01 volume  0.31406E-03 ppm1      2.322 ppm2      6.820 CV     1
 ASSI { 1024}
   (  segid "LIM1" and resid 38   and name HE% )
   (( segid "LIM1" and resid 38   and name HB1 ))
      3.700     1.700     1.700 peak  1024 spectrum    2 weight  0.11000E+01 volume  0.62212E-03 ppm1      2.325 ppm2      2.090 CV     1
 ASSI { 1025}
   (( segid "LIM1" and resid 39   and name HA  ))
   (  segid "LIM1" and resid 39   and name HB% )
      2.300     0.600     0.600 peak  1025 spectrum    2 weight  0.11000E+01 volume  0.10290E-01 ppm1      4.806 ppm2      1.789 CV     1
 ASSI { 1026}
   (  segid "LIM1" and resid 39   and name HB% )
   (( segid "LIM1" and resid 57   and name HA  ))
      4.600     2.700     1.400 peak  1026 spectrum    2 weight  0.11000E+01 volume  0.38827E-03 ppm1      1.804 ppm2      5.886 CV     1
 ASSI { 1027}
   (( segid "LIM1" and resid 57   and name HA  ))
   (( segid "LIM1" and resid 49   and name HB  ))
      3.300     3.300     2.700 peak  1027 spectrum    2 weight  0.11000E+01 volume  0.23750E-03 ppm1      5.883 ppm2      1.828 CV     1
 ASSI { 1028}
   (( segid "LIM1" and resid 40   and name HA  ))
   (( segid "LIM1" and resid 40   and name HB1 ))
      2.700     0.900     0.900 peak  1028 spectrum    2 weight  0.11000E+01 volume  0.32779E-02 ppm1      4.894 ppm2      3.266 CV     1
 ASSI { 1029}
   (( segid "LIM1" and resid 42   and name HA  ))
   (( segid "LIM1" and resid 42   and name HB1 ))
      2.600     0.800     0.800 peak  1029 spectrum    2 weight  0.11000E+01 volume  0.65250E-02 ppm1      4.191 ppm2      2.024 CV     1
 ASSI { 1031}
   (  segid "LIM1" and resid 44   and name HD1%)
   (( segid "LIM1" and resid 42   and name HG1 ))
      3.800     1.800     1.800 peak  1031 spectrum    2 weight  0.11000E+01 volume  0.77173E-03 ppm1      0.443 ppm2      1.465 CV     1
 ASSI { 1032}
   (( segid "LIM1" and resid 42   and name HG1 ))
   (( segid "LIM1" and resid 44   and name HG  ))
      4.300     2.300     1.700 peak  1032 spectrum    2 weight  0.11000E+01 volume  0.81346E-03 ppm1      1.406 ppm2     -0.213 CV     1
 ASSI { 1033}
   (( segid "LIM1" and resid 44   and name HG  ))
   (( segid "LIM1" and resid 56   and name HG11))
      3.200     1.200     1.200 peak  1033 spectrum    2 weight  0.11000E+01 volume  0.64702E-03 ppm1     -0.219 ppm2      1.385 CV     1
 ASSI { 1035}
   (( segid "LIM1" and resid 42   and name HB2 ))
   (  segid "LIM1" and resid 44   and name HD1%)
      5.000     3.100     1.000 peak  1035 spectrum    2 weight  0.11000E+01 volume  0.63476E-03 ppm1      1.608 ppm2      0.456 CV     1
 ASSI { 1036}
   (  segid "LIM1" and resid 44   and name HD1%)
   (( segid "LIM1" and resid 42   and name HB1 ))
      4.900     4.900     1.100 peak  1036 spectrum    2 weight  0.11000E+01 volume  0.24179E-03 ppm1      0.451 ppm2      2.020 CV     1
 ASSI { 1038}
   (( segid "LIM1" and resid 42   and name HE1 ))
   (  segid "LIM1" and resid 44   and name HD1%)
      3.700     3.700     2.300 peak  1038 spectrum    2 weight  0.11000E+01 volume  0.10633E-02 ppm1      3.036 ppm2      0.444 CV     1
 ASSI { 1040}
   (( segid "LIM1" and resid 46   and name HB1 ))
   (  segid "LIM1" and resid 47   and name HG2%)
      4.100     2.100     1.900 peak  1040 spectrum    2 weight  0.11000E+01 volume  0.42772E-03 ppm1      3.967 ppm2      1.189 CV     1
 ASSI { 1041}
   (( segid "LIM1" and resid 46   and name HA  ))
   (  segid "LIM1" and resid 47   and name HG2%)
      4.300     2.300     1.700 peak  1041 spectrum    2 weight  0.11000E+01 volume  0.70973E-03 ppm1      4.174 ppm2      1.188 CV     1
 ASSI { 1042}
   (( segid "LIM1" and resid 59   and name HE1 ))
   (( segid "LIM1" and resid 48   and name HB  ))
      2.600     0.900     0.900 peak  1042 spectrum    2 weight  0.11000E+01 volume  0.61227E-02 ppm1      2.847 ppm2      4.443 CV     1
 ASSI { 1043}
   (  segid "LIM1" and resid 48   and name HG2%)
   (( segid "LIM1" and resid 48   and name HB  ))
      1.900     1.900     4.100 peak  1043 spectrum    2 weight  0.11000E+01 volume  0.24786E-01 ppm1      1.215 ppm2      4.433 CV     1
 ASSI { 1044}
   (( segid "LIM1" and resid 49   and name HB  ))
   (  segid "LIM1" and resid 44   and name HD1%)
      3.100     1.200     1.200 peak  1044 spectrum    2 weight  0.11000E+01 volume  0.19480E-02 ppm1      1.835 ppm2      0.439 CV     1
 ASSI { 1046}
   (( segid "LIM1" and resid 49   and name HA  ))
   (  segid "LIM1" and resid 49   and name HG1%)
      3.200     1.300     1.300 peak  1046 spectrum    2 weight  0.11000E+01 volume  0.31153E-02 ppm1      4.254 ppm2      1.017 CV     1
 ASSI { 1047}
   (( segid "LIM1" and resid 49   and name HA  ))
   (  segid "LIM1" and resid 35   and name HE% )
      4.600     4.600     1.400 peak  1047 spectrum    2 weight  0.11000E+01 volume  0.46344E-03 ppm1      4.258 ppm2      6.397 CV     1
 ASSI { 1048}
   (  segid "LIM1" and resid 49   and name HG2%)
   (( segid "LIM1" and resid 58   and name HA  ))
      4.300     4.300     1.700 peak  1048 spectrum    2 weight  0.11000E+01 volume  0.68140E-03 ppm1      0.733 ppm2      5.173 CV     1
 ASSI { 1049}
   (  segid "LIM1" and resid 49   and name HG1%)
   (( segid "LIM1" and resid 25   and name HA  ))
      2.600     2.600     3.400 peak  1049 spectrum    2 weight  0.11000E+01 volume  0.10041E-02 ppm1      1.028 ppm2      4.413 CV     1
 ASSI { 1051}
   (  segid "LIM1" and resid 50   and name HB% )
   (( segid "LIM1" and resid 62   and name HA  ))
      4.300     2.300     1.700 peak  1051 spectrum    2 weight  0.11000E+01 volume  0.91280E-03 ppm1      0.689 ppm2      3.384 CV     1
 ASSI { 1053}
   (  segid "LIM1" and resid 50   and name HB% )
   (( segid "LIM1" and resid 62   and name HB1 ))
      3.100     1.200     1.200 peak  1053 spectrum    2 weight  0.11000E+01 volume  0.26782E-02 ppm1      0.695 ppm2      2.987 CV     1
 ASSI { 1054}
   (  segid "LIM1" and resid 50   and name HB% )
   (( segid "LIM1" and resid 62   and name HB2 ))
      2.400     0.700     0.700 peak  1054 spectrum    2 weight  0.11000E+01 volume  0.44442E-02 ppm1      0.690 ppm2      2.912 CV     1
 ASSI { 1055}
   (  segid "LIM1" and resid 50   and name HB% )
   (( segid "LIM1" and resid 59   and name HG1 ))
      3.700     1.700     1.700 peak  1055 spectrum    2 weight  0.11000E+01 volume  0.80392E-03 ppm1      0.683 ppm2      1.489 CV     1
 ASSI { 1056}
   (  segid "LIM1" and resid 50   and name HB% )
   (( segid "LIM1" and resid 59   and name HG2 ))
      3.100     3.100     2.900 peak  1056 spectrum    2 weight  0.11000E+01 volume  0.16218E-02 ppm1      0.688 ppm2      1.317 CV     1
 ASSI { 1058}
   (  segid "LIM1" and resid 50   and name HB% )
   (( segid "LIM1" and resid 59   and name HB1 ))
      3.800     3.800     2.200 peak  1058 spectrum    2 weight  0.11000E+01 volume  0.13317E-02 ppm1      0.695 ppm2      1.846 CV     1
 ASSI { 1059}
   (( segid "LIM1" and resid 52   and name HB2 ))
   (  segid "LIM1" and resid 57   and name HE% )
      3.400     3.400     2.600 peak  1059 spectrum    2 weight  0.11000E+01 volume  0.24129E-02 ppm1      2.535 ppm2      6.830 CV     1
 ASSI { 1060}
   (( segid "LIM1" and resid 52   and name HB1 ))
   (  segid "LIM1" and resid 57   and name HE% )
      3.300     3.300     2.700 peak  1060 spectrum    2 weight  0.11000E+01 volume  0.10348E-02 ppm1      3.078 ppm2      6.832 CV     1
 ASSI { 1063}
   (( segid "LIM1" and resid 53   and name HG2 ))
   (( segid "LIM1" and resid 53   and name HB2 ))
      2.700     0.900     0.900 peak  1063 spectrum    2 weight  0.11000E+01 volume  0.54207E-02 ppm1      1.683 ppm2      1.935 CV     1
 ASSI { 1065}
   (( segid "LIM1" and resid 54   and name HA  ))
   (  segid "LIM1" and resid 56   and name HG2%)
      4.400     2.400     1.600 peak  1065 spectrum    2 weight  0.11000E+01 volume  0.26252E-03 ppm1      4.579 ppm2      0.282 CV     1
 ASSI { 1066}
   (  segid "LIM1" and resid 56   and name HG2%)
   (( segid "LIM1" and resid 37   and name HA  ))
      3.000     3.000     3.000 peak  1066 spectrum    2 weight  0.11000E+01 volume  0.48632E-03 ppm1      0.273 ppm2      3.798 CV     1
 ASSI { 1070}
   (( segid "LIM1" and resid 37   and name HA  ))
   (  segid "LIM1" and resid 56   and name HD1%)
      4.600     2.700     1.400 peak  1070 spectrum    2 weight  0.11000E+01 volume  0.23061E-03 ppm1      3.809 ppm2     -0.097 CV     1
 ASSI { 1071}
   (  segid "LIM1" and resid 56   and name HD1%)
   (( segid "LIM1" and resid 35   and name HB1 ))
      2.900     2.900     3.100 peak  1071 spectrum    2 weight  0.11000E+01 volume  0.51687E-03 ppm1     -0.101 ppm2      3.321 CV     1
 ASSI { 1072}
   (( segid "LIM1" and resid 57   and name HA  ))
   (( segid "LIM1" and resid 61   and name HB2 ))
      3.800     1.800     1.800 peak  1072 spectrum    2 weight  0.11000E+01 volume  0.19571E-02 ppm1      5.867 ppm2      2.819 CV     1
 ASSI { 1073}
   (( segid "LIM1" and resid 57   and name HA  ))
   (( segid "LIM1" and resid 57   and name HB2 ))
      3.200     1.300     1.300 peak  1073 spectrum    2 weight  0.11000E+01 volume  0.18753E-02 ppm1      5.909 ppm2      2.865 CV     1
 ASSI { 1074}
   (  segid "LIM1" and resid 49   and name HG2%)
   (( segid "LIM1" and resid 57   and name HA  ))
      5.100     5.100     0.900 peak  1074 spectrum    2 weight  0.11000E+01 volume  0.19947E-03 ppm1      0.703 ppm2      5.905 CV     1
 ASSI { 1076}
   (( segid "LIM1" and resid 57   and name HB2 ))
   (( segid "LIM1" and resid 62   and name HA  ))
      3.700     1.700     1.700 peak  1076 spectrum    2 weight  0.11000E+01 volume  0.60092E-03 ppm1      2.855 ppm2      3.373 CV     1
 ASSI { 1077}
   (( segid "LIM1" and resid 58   and name HA  ))
   (  segid "LIM1" and resid 44   and name HD2%)
      4.500     2.600     1.500 peak  1077 spectrum    2 weight  0.11000E+01 volume  0.27147E-03 ppm1      5.168 ppm2      1.289 CV     1
 ASSI { 1078}
   (( segid "LIM1" and resid 59   and name HB1 ))
   (( segid "LIM1" and resid 58   and name HA  ))
      4.400     2.500     1.600 peak  1078 spectrum    2 weight  0.11000E+01 volume  0.12994E-02 ppm1      1.852 ppm2      5.162 CV     1
 ASSI { 1079}
   (( segid "LIM1" and resid 59   and name HB1 ))
   (( segid "LIM1" and resid 59   and name HG2 ))
      2.200     0.600     0.600 peak  1079 spectrum    2 weight  0.11000E+01 volume  0.80395E-02 ppm1      1.827 ppm2      1.329 CV     1
 ASSI { 1080}
   (( segid "LIM1" and resid 59   and name HG2 ))
   (( segid "LIM1" and resid 59   and name HD1 ))
      2.100     0.500     0.500 peak  1080 spectrum    2 weight  0.11000E+01 volume  0.94768E-02 ppm1      1.319 ppm2      1.603 CV     1
 ASSI { 1081}
   (( segid "LIM1" and resid 59   and name HG1 ))
   (( segid "LIM1" and resid 59   and name HB1 ))
      2.700     0.900     0.900 peak  1081 spectrum    2 weight  0.11000E+01 volume  0.75046E-02 ppm1      1.472 ppm2      1.860 CV     1
 ASSI { 1083}
   (( segid "LIM1" and resid 61   and name HB2 ))
   (( segid "LIM1" and resid 61   and name HA  ))
      2.800     1.000     1.000 peak  1083 spectrum    2 weight  0.11000E+01 volume  0.40624E-02 ppm1      2.814 ppm2      3.731 CV     1
 ASSI { 1084}
   (( segid "LIM1" and resid 59   and name HA  ))
   (( segid "LIM1" and resid 62   and name HB2 ))
      3.300     1.300     1.300 peak  1084 spectrum    2 weight  0.11000E+01 volume  0.25684E-02 ppm1      3.779 ppm2      2.917 CV     1
 ASSI { 1085}
   (( segid "LIM1" and resid 7    and name HA1 ))
   (  segid "LIM1" and resid 16   and name HG2%)
      3.200     3.200     2.800 peak  1085 spectrum    2 weight  0.11000E+01 volume  0.34448E-02 ppm1      3.741 ppm2      0.599 CV     1
 ASSI { 1086}
   (( segid "LIM1" and resid 7    and name HA1 ))
   (  segid "LIM1" and resid 8    and name HB% )
      4.500     2.500     1.500 peak  1086 spectrum    2 weight  0.11000E+01 volume  0.61207E-03 ppm1      3.755 ppm2      1.134 CV     1
 ASSI { 1088}
   (( segid "LIM1" and resid 7    and name HA1 ))
   (  segid "LIM1" and resid 18   and name HE% )
      3.400     1.400     1.400 peak  1088 spectrum    2 weight  0.11000E+01 volume  0.10420E-02 ppm1      3.762 ppm2      6.733 CV     1
 ASSI { 1089}
   (( segid "LIM1" and resid 7    and name HA1 ))
   (  segid "LIM1" and resid 18   and name HD% )
      3.600     1.600     1.600 peak  1089 spectrum    2 weight  0.11000E+01 volume  0.15743E-02 ppm1      3.760 ppm2      7.162 CV     1
 ASSI { 1090}
   (  segid "LIM1" and resid 71   and name HG2%)
   (  segid "LIM1" and resid 73   and name HE% )
      4.500     2.500     1.500 peak  1090 spectrum    2 weight  0.11000E+01 volume  0.19865E-03 ppm1      0.784 ppm2      6.753 CV     1
 ASSI { 1092}
   (  segid "LIM1" and resid 71   and name HD1%)
   (  segid "LIM1" and resid 73   and name HE% )
      3.200     3.200     2.800 peak  1092 spectrum    2 weight  0.11000E+01 volume  0.29854E-03 ppm1      0.764 ppm2      6.737 CV     1
 ASSI { 1093}
   (( segid "LIM1" and resid 73   and name HB1 ))
   (  segid "LIM1" and resid 73   and name HD% )
      2.600     0.800     0.800 peak  1093 spectrum    2 weight  0.11000E+01 volume  0.46465E-02 ppm1      2.886 ppm2      7.027 CV     1
 ASSI { 1095}
   (( segid "LIM1" and resid 18   and name HB2 ))
   (( segid "LIM1" and resid 19   and name HD2 ))
      4.600     2.700     1.400 peak  1095 spectrum    2 weight  0.11000E+01 volume  0.43901E-03 ppm1      2.739 ppm2      6.950 CV     1
 ASSI { 1096}
   (  segid "LIM1" and resid 56   and name HG2%)
   (  segid "LIM1" and resid 35   and name HD% )
      3.500     3.500     2.500 peak  1096 spectrum    2 weight  0.11000E+01 volume  0.90954E-03 ppm1      0.279 ppm2      6.542 CV     1
 ASSI { 1099}
   (( segid "LIM1" and resid 38   and name HG2 ))
   (  segid "LIM1" and resid 57   and name HE% )
      4.800     2.900     1.200 peak  1099 spectrum    2 weight  0.11000E+01 volume  0.33598E-03 ppm1      2.514 ppm2      6.831 CV     1
 ASSI { 1100}
   (( segid "LIM1" and resid 38   and name HG1 ))
   (  segid "LIM1" and resid 57   and name HD% )
      5.100     3.200     0.900 peak  1100 spectrum    2 weight  0.11000E+01 volume  0.23097E-03 ppm1      2.831 ppm2      7.245 CV     1
 ASSI { 1102}
   (( segid "LIM1" and resid 5    and name HA1 ))
   (( segid "LIM1" and resid 4    and name HE3 ))
      4.500     2.500     1.500 peak  1102 spectrum    2 weight  0.11000E+01 volume  0.39559E-03 ppm1      3.774 ppm2      7.518 CV     1
 ASSI {    3}
   (( segid "LIM1" and resid 36   and name HE1 ))
   (  segid "LIM1" and resid 43   and name HB% )
      4.100     4.100     1.900 peak     3 spectrum    3 weight  0.11000E+01 volume  0.80768E-03 ppm1      7.776 ppm2      1.308 CV     1
 ASSI {    5}
   (  segid "LIM1" and resid 30   and name HD% )
   (( segid "LIM1" and resid 30   and name HA  ))
      3.300     1.400     1.400 peak     5 spectrum    3 weight  0.11000E+01 volume  0.85786E-03 ppm1      7.107 ppm2      5.676 CV     1
 ASSI {    8}
   (  segid "LIM1" and resid 30   and name HD% )
   (  segid "LIM1" and resid 56   and name HD1%)
      3.800     1.800     1.800 peak     8 spectrum    3 weight  0.11000E+01 volume  0.57010E-03 ppm1      7.094 ppm2     -0.105 CV     1
 ASSI {   13}
   (( segid "LIM1" and resid 31   and name HD2 ))
   (( segid "LIM1" and resid 10   and name HB2 ))
      3.800     1.800     1.800 peak    13 spectrum    3 weight  0.11000E+01 volume  0.76081E-03 ppm1      7.438 ppm2      2.258 CV     1
 ASSI {   16}
   (  segid "LIM1" and resid 18   and name HD% )
   (  segid "LIM1" and resid 16   and name HG2%)
      4.600     4.600     1.400 peak    16 spectrum    3 weight  0.11000E+01 volume  0.55542E-03 ppm1      7.161 ppm2      0.585 CV     1
 ASSI {   17}
   (  segid "LIM1" and resid 18   and name HE% )
   (  segid "LIM1" and resid 16   and name HG2%)
      3.800     1.800     1.800 peak    17 spectrum    3 weight  0.11000E+01 volume  0.16544E-02 ppm1      6.729 ppm2      0.585 CV     1
 ASSI {   18}
   (  segid "LIM1" and resid 18   and name HD% )
   (( segid "LIM1" and resid 16   and name HA  ))
      2.900     2.900     3.100 peak    18 spectrum    3 weight  0.11000E+01 volume  0.50602E-03 ppm1      7.141 ppm2      4.011 CV     1
 ASSI {   19}
   (  segid "LIM1" and resid 18   and name HE% )
   (( segid "LIM1" and resid 16   and name HB  ))
      3.200     1.300     1.300 peak    19 spectrum    3 weight  0.11000E+01 volume  0.12460E-02 ppm1      6.729 ppm2      3.693 CV     1
 ASSI {   21}
   (( segid "LIM1" and resid 31   and name HD2 ))
   (  segid "LIM1" and resid 17   and name HG1%)
      3.600     1.600     1.600 peak    21 spectrum    3 weight  0.11000E+01 volume  0.67931E-03 ppm1      7.430 ppm2      0.407 CV     1
 ASSI {   26}
   (  segid "LIM1" and resid 18   and name HD% )
   (( segid "LIM1" and resid 18   and name HB1 ))
      2.600     0.800     0.800 peak    26 spectrum    3 weight  0.11000E+01 volume  0.35886E-02 ppm1      7.153 ppm2      3.161 CV     1
 ASSI {   27}
   (( segid "LIM1" and resid 4    and name HE3 ))
   (( segid "LIM1" and resid 4    and name HA  ))
      4.300     2.300     1.700 peak    27 spectrum    3 weight  0.11000E+01 volume  0.11579E-02 ppm1      7.521 ppm2      4.610 CV     1
 ASSI {   34}
   (  segid "LIM1" and resid 35   and name HD% )
   (( segid "LIM1" and resid 23   and name HB  ))
      3.800     1.800     1.800 peak    34 spectrum    3 weight  0.11000E+01 volume  0.30456E-03 ppm1      6.540 ppm2      1.183 CV     1
 ASSI {   45}
   (( segid "LIM1" and resid 31   and name HD2 ))
   (( segid "LIM1" and resid 31   and name HA  ))
      3.100     1.200     1.200 peak    45 spectrum    3 weight  0.11000E+01 volume  0.11415E-02 ppm1      7.432 ppm2      4.644 CV     1
 ASSI {   46}
   (( segid "LIM1" and resid 31   and name HD2 ))
   (( segid "LIM1" and resid 31   and name HB1 ))
      3.000     1.100     1.100 peak    46 spectrum    3 weight  0.11000E+01 volume  0.13685E-02 ppm1      7.438 ppm2      3.569 CV     1
 ASSI {   48}
   (( segid "LIM1" and resid 36   and name HD2 ))
   (( segid "LIM1" and resid 34   and name HA  ))
      4.800     2.800     1.200 peak    48 spectrum    3 weight  0.11000E+01 volume  0.15443E-03 ppm1      6.522 ppm2      4.469 CV     1
 ASSI {   51}
   (  segid "LIM1" and resid 35   and name HD% )
   (( segid "LIM1" and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak    51 spectrum    3 weight  0.11000E+01 volume  0.28781E-02 ppm1      6.542 ppm2      2.596 CV     1
 ASSI {   54}
   (  segid "LIM1" and resid 57   and name HE% )
   (( segid "LIM1" and resid 38   and name HB2 ))
      3.200     1.200     1.200 peak    54 spectrum    3 weight  0.11000E+01 volume  0.10753E-02 ppm1      6.812 ppm2      1.528 CV     1
 ASSI {   56}
   (  segid "LIM1" and resid 57   and name HD% )
   (  segid "LIM1" and resid 38   and name HE% )
      3.100     3.100     2.900 peak    56 spectrum    3 weight  0.11000E+01 volume  0.36007E-03 ppm1      7.217 ppm2      2.330 CV     1
 ASSI {   58}
   (  segid "LIM1" and resid 35   and name HE% )
   (( segid "LIM1" and resid 44   and name HB1 ))
      2.700     0.900     0.900 peak    58 spectrum    3 weight  0.11000E+01 volume  0.20217E-02 ppm1      6.388 ppm2      0.699 CV     1
 ASSI {   59}
   (  segid "LIM1" and resid 35   and name HD% )
   (( segid "LIM1" and resid 44   and name HB1 ))
      3.500     1.500     1.500 peak    59 spectrum    3 weight  0.11000E+01 volume  0.20160E-02 ppm1      6.541 ppm2      0.686 CV     1
 ASSI {   60}
   (  segid "LIM1" and resid 35   and name HE% )
   (( segid "LIM1" and resid 44   and name HG  ))
      4.300     2.300     1.700 peak    60 spectrum    3 weight  0.11000E+01 volume  0.53999E-03 ppm1      6.387 ppm2     -0.224 CV     1
 ASSI {   61}
   (  segid "LIM1" and resid 35   and name HD% )
   (( segid "LIM1" and resid 44   and name HG  ))
      3.900     1.900     1.900 peak    61 spectrum    3 weight  0.11000E+01 volume  0.13384E-02 ppm1      6.539 ppm2     -0.226 CV     1
 ASSI {   67}
   (  segid "LIM1" and resid 62   and name HE% )
   (  segid "LIM1" and resid 50   and name HB% )
      3.600     1.700     1.700 peak    67 spectrum    3 weight  0.11000E+01 volume  0.93410E-03 ppm1      6.618 ppm2      0.683 CV     1
 ASSI {   70}
   (  segid "LIM1" and resid 57   and name HE% )
   (  segid "LIM1" and resid 50   and name HB% )
      3.200     3.200     2.800 peak    70 spectrum    3 weight  0.11000E+01 volume  0.30679E-03 ppm1      6.828 ppm2      0.678 CV     1
 ASSI {   71}
   (  segid "LIM1" and resid 62   and name HE% )
   (( segid "LIM1" and resid 51   and name HA  ))
      2.900     2.900     3.100 peak    71 spectrum    3 weight  0.11000E+01 volume  0.52678E-03 ppm1      6.600 ppm2      5.093 CV     1
 ASSI {   76}
   (  segid "LIM1" and resid 62   and name HD% )
   (( segid "LIM1" and resid 52   and name HB1 ))
      3.500     3.500     2.500 peak    76 spectrum    3 weight  0.11000E+01 volume  0.27582E-02 ppm1      6.839 ppm2      3.042 CV     1
 ASSI {   78}
   (  segid "LIM1" and resid 66   and name HE% )
   (( segid "LIM1" and resid 52   and name HB2 ))
      4.300     2.300     1.700 peak    78 spectrum    3 weight  0.11000E+01 volume  0.26490E-03 ppm1      6.180 ppm2      2.594 CV     1
 ASSI {   81}
   (( segid "LIM1" and resid 52   and name HD2 ))
   (( segid "LIM1" and resid 53   and name HG2 ))
      4.800     2.900     1.200 peak    81 spectrum    3 weight  0.11000E+01 volume  0.25978E-03 ppm1      6.757 ppm2      1.651 CV     1
 ASSI {   83}
   (  segid "LIM1" and resid 57   and name HE% )
   (( segid "LIM1" and resid 55   and name HA  ))
      2.800     2.800     3.200 peak    83 spectrum    3 weight  0.11000E+01 volume  0.63472E-03 ppm1      6.851 ppm2      4.443 CV     1
 ASSI {   84}
   (  segid "LIM1" and resid 57   and name HD% )
   (( segid "LIM1" and resid 56   and name HA  ))
      4.100     2.100     1.900 peak    84 spectrum    3 weight  0.11000E+01 volume  0.29298E-03 ppm1      7.233 ppm2      4.397 CV     1
 ASSI {   86}
   (  segid "LIM1" and resid 30   and name HE% )
   (  segid "LIM1" and resid 56   and name HG2%)
      4.100     2.100     1.900 peak    86 spectrum    3 weight  0.11000E+01 volume  0.24960E-03 ppm1      7.220 ppm2      0.277 CV     1
 ASSI {   89}
   (  segid "LIM1" and resid 57   and name HE% )
   (( segid "LIM1" and resid 57   and name HB2 ))
      4.100     2.100     1.900 peak    89 spectrum    3 weight  0.11000E+01 volume  0.10344E-02 ppm1      6.784 ppm2      2.827 CV     1
 ASSI {   90}
   (  segid "LIM1" and resid 62   and name HD% )
   (( segid "LIM1" and resid 59   and name HA  ))
      3.900     1.900     1.900 peak    90 spectrum    3 weight  0.11000E+01 volume  0.93155E-03 ppm1      6.831 ppm2      3.793 CV     1
 ASSI {   95}
   (  segid "LIM1" and resid 62   and name HD% )
   (( segid "LIM1" and resid 63   and name HA1 ))
      3.600     1.600     1.600 peak    95 spectrum    3 weight  0.11000E+01 volume  0.18453E-02 ppm1      6.836 ppm2      3.722 CV     1
 ASSI {   97}
   (  segid "LIM1" and resid 66   and name HD% )
   (( segid "LIM1" and resid 66   and name HB2 ))
      2.700     0.900     0.900 peak    97 spectrum    3 weight  0.11000E+01 volume  0.34932E-02 ppm1      6.254 ppm2      1.460 CV     1
 ASSI {   98}
   (  segid "LIM1" and resid 66   and name HD% )
   (( segid "LIM1" and resid 66   and name HB1 ))
      2.700     0.900     0.900 peak    98 spectrum    3 weight  0.11000E+01 volume  0.33372E-02 ppm1      6.255 ppm2      2.792 CV     1
 ASSI {  100}
   (  segid "LIM1" and resid 62   and name HE% )
   (( segid "LIM1" and resid 66   and name HB2 ))
      3.500     1.500     1.500 peak   100 spectrum    3 weight  0.11000E+01 volume  0.62279E-03 ppm1      6.620 ppm2      1.461 CV     1
 ASSI {  101}
   (  segid "LIM1" and resid 73   and name HD% )
   (( segid "LIM1" and resid 73   and name HA  ))
      3.200     1.300     1.300 peak   101 spectrum    3 weight  0.11000E+01 volume  0.23470E-02 ppm1      7.018 ppm2      4.450 CV     1
 ASSI {  102}
   (  segid "LIM1" and resid 73   and name HE% )
   (( segid "LIM1" and resid 72   and name HA1 ))
      2.800     2.800     3.200 peak   102 spectrum    3 weight  0.11000E+01 volume  0.70344E-03 ppm1      6.748 ppm2      3.765 CV     1
 ASSI {  103}
   (( segid "LIM1" and resid 4    and name HD1 ))
   (( segid "LIM1" and resid 5    and name HA1 ))
      4.100     2.100     1.900 peak   103 spectrum    3 weight  0.11000E+01 volume  0.69830E-03 ppm1      7.178 ppm2      3.790 CV     1
 ASSI {  110}
   (  segid "LIM1" and resid 30   and name HD% )
   (  segid "LIM1" and resid 38   and name HE% )
      3.600     1.600     1.600 peak   110 spectrum    3 weight  0.11000E+01 volume  0.66762E-03 ppm1      7.118 ppm2      2.333 CV     1
 ASSI {  118}
   (  segid "LIM1" and resid 73   and name HD% )
   (  segid "LIM1" and resid 71   and name HG2%)
      4.000     4.000     2.000 peak   118 spectrum    3 weight  0.11000E+01 volume  0.39331E-03 ppm1      7.029 ppm2      0.793 CV     1
 ASSI {  119}
   (  segid "LIM1" and resid 18   and name HE% )
   (( segid "LIM1" and resid 18   and name HB1 ))
      4.500     2.600     1.500 peak   119 spectrum    3 weight  0.11000E+01 volume  0.56062E-03 ppm1      6.730 ppm2      3.177 CV     1
 ASSI {  121}
   (  segid "LIM1" and resid 30   and name HD% )
   (  segid "LIM1" and resid 35   and name HE% )
      4.400     4.400     1.600 peak   121 spectrum    3 weight  0.11000E+01 volume  0.24004E-03 ppm1      7.081 ppm2      6.387 CV     1
 ASSI {  123}
   (  segid "LIM1" and resid 30   and name HD% )
   (  segid "LIM1" and resid 35   and name HD% )
      4.400     4.400     1.600 peak   123 spectrum    3 weight  0.11000E+01 volume  0.18396E-03 ppm1      7.075 ppm2      6.544 CV     1
 ASSI {  125}
   (  segid "LIM1" and resid 35   and name HD% )
   (  segid "LIM1" and resid 30   and name HE% )
      4.300     4.300     1.700 peak   125 spectrum    3 weight  0.11000E+01 volume  0.57423E-03 ppm1      6.535 ppm2      7.222 CV     1
 ASSI {  128}
   (  segid "LIM1" and resid 35   and name HE% )
   (  segid "LIM1" and resid 30   and name HE% )
      4.600     4.600     1.400 peak   128 spectrum    3 weight  0.11000E+01 volume  0.56812E-03 ppm1      6.374 ppm2      7.223 CV     1
 ASSI {  129}
   (  segid "LIM1" and resid 35   and name HD% )
   (( segid "LIM1" and resid 35   and name HZ  ))
      3.500     1.500     1.500 peak   129 spectrum    3 weight  0.11000E+01 volume  0.17714E-02 ppm1      6.545 ppm2      6.834 CV     1
 ASSI {  130}
   (  segid "LIM1" and resid 35   and name HD% )
   (  segid "LIM1" and resid 35   and name HE% )
      2.000     0.500     0.500 peak   130 spectrum    3 weight  0.11000E+01 volume  0.10060E-01 ppm1      6.540 ppm2      6.392 CV     1
 ASSI {  133}
   (( segid "LIM1" and resid 35   and name HZ  ))
   (( segid "LIM1" and resid 49   and name HA  ))
      4.800     2.800     1.200 peak   133 spectrum    3 weight  0.11000E+01 volume  0.50504E-03 ppm1      6.846 ppm2      4.236 CV     1
 ASSI {  134}
   (  segid "LIM1" and resid 35   and name HE% )
   (( segid "LIM1" and resid 35   and name HZ  ))
      2.500     0.800     0.800 peak   134 spectrum    3 weight  0.11000E+01 volume  0.47849E-02 ppm1      6.391 ppm2      6.836 CV     1
 ASSI {  136}
   (( segid "LIM1" and resid 36   and name HE1 ))
   (( segid "LIM1" and resid 33   and name HA  ))
      3.700     1.700     1.700 peak   136 spectrum    3 weight  0.11000E+01 volume  0.59977E-03 ppm1      7.774 ppm2      4.307 CV     1
 ASSI {  137}
   (( segid "LIM1" and resid 36   and name HD2 ))
   (( segid "LIM1" and resid 41   and name HA  ))
      3.800     1.800     1.800 peak   137 spectrum    3 weight  0.11000E+01 volume  0.79979E-03 ppm1      6.531 ppm2      4.085 CV     1
 ASSI {  138}
   (( segid "LIM1" and resid 36   and name HE1 ))
   (( segid "LIM1" and resid 36   and name HD2 ))
      4.000     2.000     2.000 peak   138 spectrum    3 weight  0.11000E+01 volume  0.91384E-03 ppm1      7.772 ppm2      6.538 CV     1
 ASSI {  140}
   (( segid "LIM1" and resid 31   and name HE1 ))
   (( segid "LIM1" and resid 16   and name HB  ))
      3.000     3.000     3.000 peak   140 spectrum    3 weight  0.11000E+01 volume  0.43404E-03 ppm1      7.152 ppm2      3.650 CV     1
 ASSI {  141}
   (  segid "LIM1" and resid 57   and name HE% )
   (  segid "LIM1" and resid 66   and name HE% )
      2.800     2.800     3.200 peak   141 spectrum    3 weight  0.11000E+01 volume  0.30512E-02 ppm1      6.821 ppm2      6.203 CV     1
 ASSI {  142}
   (  segid "LIM1" and resid 57   and name HD% )
   (  segid "LIM1" and resid 66   and name HE% )
      4.000     4.000     2.000 peak   142 spectrum    3 weight  0.11000E+01 volume  0.31079E-03 ppm1      7.258 ppm2      6.204 CV     1
 ASSI {  144}
   (  segid "LIM1" and resid 57   and name HD% )
   (  segid "LIM1" and resid 57   and name HE% )
      2.200     0.600     0.600 peak   144 spectrum    3 weight  0.11000E+01 volume  0.79293E-02 ppm1      7.242 ppm2      6.824 CV     1
 ASSI {  145}
   (  segid "LIM1" and resid 62   and name HD% )
   (  segid "LIM1" and resid 66   and name HD% )
      3.400     3.400     2.600 peak   145 spectrum    3 weight  0.11000E+01 volume  0.10922E-02 ppm1      6.837 ppm2      6.239 CV     1
 ASSI {  148}
   (  segid "LIM1" and resid 62   and name HD% )
   (  segid "LIM1" and resid 57   and name HD% )
      2.600     2.600     3.400 peak   148 spectrum    3 weight  0.11000E+01 volume  0.40450E-02 ppm1      6.837 ppm2      7.246 CV     1
 ASSI {  149}
   (  segid "LIM1" and resid 62   and name HE% )
   (  segid "LIM1" and resid 62   and name HD% )
      2.100     0.500     0.500 peak   149 spectrum    3 weight  0.11000E+01 volume  0.14251E-01 ppm1      6.636 ppm2      6.833 CV     1
 ASSI {  152}
   (  segid "LIM1" and resid 66   and name HD% )
   (  segid "LIM1" and resid 62   and name HE% )
      3.400     3.400     2.600 peak   152 spectrum    3 weight  0.11000E+01 volume  0.11585E-02 ppm1      6.253 ppm2      6.620 CV     1
 ASSI {  153}
   (  segid "LIM1" and resid 66   and name HD% )
   (  segid "LIM1" and resid 57   and name HD% )
      3.300     3.300     2.700 peak   153 spectrum    3 weight  0.11000E+01 volume  0.24627E-03 ppm1      6.254 ppm2      7.257 CV     1
 ASSI {  154}
   (  segid "LIM1" and resid 66   and name HE% )
   (( segid "LIM1" and resid 52   and name HD2 ))
      3.800     3.800     2.200 peak   154 spectrum    3 weight  0.11000E+01 volume  0.69376E-03 ppm1      6.218 ppm2      6.730 CV     1
 ASSI {  156}
   (( segid "LIM1" and resid 4    and name HD1 ))
   (  segid "LIM1" and resid 2    and name HB% )
      3.200     3.200     2.800 peak   156 spectrum    3 weight  0.11000E+01 volume  0.30876E-03 ppm1      7.176 ppm2      1.163 CV     1
 ASSI {  158}
   (( segid "LIM1" and resid 4    and name HH2 ))
   (( segid "LIM1" and resid 4    and name HZ2 ))
      2.400     0.700     0.700 peak   158 spectrum    3 weight  0.11000E+01 volume  0.87163E-02 ppm1      7.140 ppm2      7.391 CV     1
 ASSI {  160}
   (( segid "LIM1" and resid 4    and name HE3 ))
   (( segid "LIM1" and resid 4    and name HZ3 ))
      2.800     1.000     1.000 peak   160 spectrum    3 weight  0.11000E+01 volume  0.31180E-02 ppm1      7.519 ppm2      7.066 CV     1
 ASSI {  162}
   (  segid "LIM1" and resid 18   and name HE% )
   (  segid "LIM1" and resid 18   and name HD% )
      1.900     1.900     4.100 peak   162 spectrum    3 weight  0.11000E+01 volume  0.25806E-01 ppm1      6.735 ppm2      7.162 CV     1
 ASSI {  163}
   (  segid "LIM1" and resid 73   and name HD% )
   (  segid "LIM1" and resid 73   and name HE% )
      1.900     0.500     0.500 peak   163 spectrum    3 weight  0.11000E+01 volume  0.24225E-01 ppm1      7.032 ppm2      6.753 CV     1

! define distances to cys to make sure that the zinc atoms stay "close" to the protein...
! use double quotes for "ZN+2"  since + is a wild card and CNS will not read the restraint otherwise !!!
assign (segid "ZNAT" and resid 1 and name "ZN+2" ) (segid "LIM1" and resid 10 and name SG )  2.00 0.50 0.50
assign (segid "ZNAT" and resid 1 and name "ZN+2" ) (segid "LIM1" and resid 13 and name SG )  2.00 0.50 0.50
assign (segid "ZNAT" and resid 1 and name "ZN+2" ) (segid "LIM1" and resid 34 and name SG )  2.00 0.50 0.50
assign (segid "ZNAT" and resid 1 and name "ZN+2" ) (segid "LIM1" and resid 31 and name ND1 ) 2.00 0.50 0.50
assign (segid "ZNAT" and resid 2 and name "ZN+2" ) (segid "LIM1" and resid 37 and name SG )  2.00 0.50 0.50
assign (segid "ZNAT" and resid 2 and name "ZN+2" ) (segid "LIM1" and resid 40 and name SG )  2.00 0.50 0.50
assign (segid "ZNAT" and resid 2 and name "ZN+2" ) (segid "LIM1" and resid 58 and name SG )  2.00 0.50 0.50
assign (segid "ZNAT" and resid 2 and name "ZN+2" ) (segid "LIM1" and resid 61 and name SG )  2.00 0.50 0.50
 
!! define distances to cys to make sure that the zinc atoms stay "close" to the protein...
!! use double quotes for "ZN+2"  since + is a wild card and CNS will not read the restraint otherwise !!!
assign ( segid "LIM1" and resid 10 and name SG) (segid "LIM1" and resid 13 and name SG )  3.88 0.05 0.05
assign (segid "LIM1" and resid 10 and name SG ) (segid "LIM1" and resid 31 and name ND1 )  3.88 0.10 0.10
assign (segid "LIM1" and resid 10 and name SG ) (segid "LIM1" and resid 34 and name SG )  3.88 0.05 0.05
assign ( segid "LIM1" and resid 13 and name SG) (segid "LIM1" and resid 31 and name ND1 )  3.88 0.10 0.10
assign (segid "LIM1" and resid 13 and name SG ) (segid "LIM1" and resid 34 and name SG )  3.88 0.05 0.05
assign (segid "LIM1" and resid 31 and name ND1 ) (segid "LIM1" and resid 34 and name SG )  3.88 0.10 0.10

assign (segid "LIM1" and resid 37 and name SG ) (segid "LIM1" and resid 40 and name SG )   3.88 0.05 0.05
assign (segid "LIM1" and resid 37 and name SG ) (segid "LIM1" and resid 58 and name SG )   3.88 0.05 0.05
assign (segid "LIM1" and resid 37 and name SG ) (segid "LIM1" and resid 61 and name SG )   3.88 0.05 0.05
assign (segid "LIM1" and resid 40 and name SG ) (segid "LIM1" and resid 58 and name SG )   3.88 0.05 0.05
assign (segid "LIM1" and resid 40 and name SG ) (segid "LIM1" and resid 61 and name SG )   3.88 0.05 0.05
assign (segid "LIM1" and resid 58 and name SG ) (segid "LIM1" and resid 61 and name SG )   3.88 0.05 0.05


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   7           1H       GLY   7 -20.114   2.472   7.419
    2    HA2  GLY   7           2HA      GLY   7 -18.778   0.428   7.358
    3    HA3  GLY   7           1HA      GLY   7 -18.484   0.756   5.655
    4    H    ALA   8           H        ALA   8 -16.347   1.011   5.563
    5    HA   ALA   8           HA       ALA   8 -15.141   3.072   7.299
    6    HB1  ALA   8           3HB      ALA   8 -13.031   1.827   7.138
    7    HB2  ALA   8           1HB      ALA   8 -13.840   0.578   6.194
    8    HB3  ALA   8           2HB      ALA   8 -14.302   0.851   7.874
    9    H    LYS   9           H        LYS   9 -12.766   3.461   6.028
   10    HA   LYS   9           HA       LYS   9 -13.446   3.929   3.219
   11    HB2  LYS   9           2HB      LYS   9 -12.332   6.098   3.241
   12    HB3  LYS   9           1HB      LYS   9 -13.674   6.083   4.375
   13    HG2  LYS   9           2HG      LYS   9 -12.235   6.018   6.236
   14    HG3  LYS   9           1HG      LYS   9 -10.840   5.601   5.235
   15    HD2  LYS   9           2HD      LYS   9 -12.355   8.207   5.049
   16    HD3  LYS   9           1HD      LYS   9 -10.874   7.982   5.984
   17    HE2  LYS   9           2HE      LYS   9  -9.677   7.357   3.945
   18    HE3  LYS   9           1HE      LYS   9 -11.155   7.556   3.006
   19    HZ1  LYS   9           3HZ      LYS   9 -10.037   9.777   4.603
   20    HZ2  LYS   9           1HZ      LYS   9 -11.134   9.849   3.312
   21    HZ3  LYS   9           2HZ      LYS   9  -9.503   9.472   3.020
   22    H    CYS  10           H        CYS  10 -11.697   3.907   1.822
   23    HA   CYS  10           HA       CYS  10  -9.915   1.816   2.370
   24    HB2  CYS  10           2HB      CYS  10 -10.865   2.585   0.154
   25    HB3  CYS  10           1HB      CYS  10  -9.671   3.872   0.186
   26    H    GLY  11           H        GLY  11  -7.894   1.768   3.094
   27    HA2  GLY  11           2HA      GLY  11  -6.548   4.031   4.131
   28    HA3  GLY  11           1HA      GLY  11  -5.826   2.454   3.835
   29    H    ALA  12           H        ALA  12  -6.917   2.935   0.938
   30    HA   ALA  12           HA       ALA  12  -4.628   4.561   0.043
   31    HB1  ALA  12           3HB      ALA  12  -4.602   2.237  -0.747
   32    HB2  ALA  12           1HB      ALA  12  -4.788   3.376  -2.081
   33    HB3  ALA  12           2HB      ALA  12  -6.185   2.476  -1.490
   34    H    CYS  13           H        CYS  13  -7.985   3.754  -0.847
   35    HA   CYS  13           HA       CYS  13  -8.290   6.048  -2.529
   36    HB2  CYS  13           2HB      CYS  13 -10.394   4.232  -1.334
   37    HB3  CYS  13           1HB      CYS  13 -10.677   5.423  -2.592
   38    H    GLU  14           H        GLU  14  -9.883   7.703  -2.216
   39    HA   GLU  14           HA       GLU  14 -10.408   8.453   0.571
   40    HB2  GLU  14           2HB      GLU  14 -11.637  10.316  -1.121
   41    HB3  GLU  14           1HB      GLU  14 -10.110  10.524  -0.278
   42    HG2  GLU  14           2HG      GLU  14  -9.782  11.077  -2.570
   43    HG3  GLU  14           1HG      GLU  14  -8.952   9.560  -2.242
   44    H    LYS  15           H        LYS  15 -11.496   6.339  -1.398
   45    HA   LYS  15           HA       LYS  15 -14.353   6.871  -1.352
   46    HB2  LYS  15           2HB      LYS  15 -12.996   4.376  -2.360
   47    HB3  LYS  15           1HB      LYS  15 -14.551   5.044  -2.841
   48    HG2  LYS  15           2HG      LYS  15 -13.520   6.788  -4.074
   49    HG3  LYS  15           1HG      LYS  15 -11.932   6.413  -3.400
   50    HD2  LYS  15           2HD      LYS  15 -12.226   4.108  -4.479
   51    HD3  LYS  15           1HD      LYS  15 -13.543   4.843  -5.393
   52    HE2  LYS  15           2HE      LYS  15 -11.448   4.885  -6.655
   53    HE3  LYS  15           1HE      LYS  15 -12.014   6.514  -6.285
   54    HZ1  LYS  15           3HZ      LYS  15 -10.406   6.720  -4.563
   55    HZ2  LYS  15           1HZ      LYS  15  -9.591   6.155  -5.941
   56    HZ3  LYS  15           2HZ      LYS  15  -9.964   5.080  -4.677
   57    H    THR  16           H        THR  16 -15.720   4.937  -0.710
   58    HA   THR  16           HA       THR  16 -14.996   4.217   1.987
   59    HB   THR  16           HB       THR  16 -17.367   3.007   1.563
   60    HG1  THR  16           HG1      THR  16 -18.225   3.697  -0.239
   61   HG21  THR  16          3HG2      THR  16 -18.396   5.020   2.531
   62   HG22  THR  16          1HG2      THR  16 -16.941   5.942   2.146
   63   HG23  THR  16          2HG2      THR  16 -16.870   4.632   3.326
   64    H    VAL  17           H        VAL  17 -14.720   2.192   2.798
   65    HA   VAL  17           HA       VAL  17 -14.512  -0.028   0.871
   66    HB   VAL  17           HB       VAL  17 -13.191   0.373   3.560
   67   HG11  VAL  17          1HG1      VAL  17 -13.920  -1.960   3.355
   68   HG12  VAL  17          2HG1      VAL  17 -12.165  -1.820   3.278
   69   HG13  VAL  17          3HG1      VAL  17 -13.093  -2.077   1.802
   70   HG21  VAL  17          3HG2      VAL  17 -12.077   0.005   0.795
   71   HG22  VAL  17          1HG2      VAL  17 -11.125   0.145   2.272
   72   HG23  VAL  17          2HG2      VAL  17 -12.105   1.506   1.722
   73    H    TYR  18           H        TYR  18 -15.749  -1.826   1.163
   74    HA   TYR  18           HA       TYR  18 -17.541  -1.782   3.504
   75    HD1  TYR  18           HD1      TYR  18 -19.803  -0.072   2.445
   76    HD2  TYR  18           HD2      TYR  18 -17.613  -1.634  -0.853
   77    HE1  TYR  18           HE1      TYR  18 -20.113   2.046   1.242
   78    HE2  TYR  18           HE2      TYR  18 -17.924   0.480  -2.066
   79    HH   TYR  18           HH       TYR  18 -19.268   2.417  -2.106
   80    HB2  TYR  18           2HB      TYR  18 -18.350  -3.101   0.925
   81    HB3  TYR  18           1HB      TYR  18 -19.361  -2.479   2.226
   82    H    HIS  19           H        HIS  19 -18.547  -4.111   3.706
   83    HA   HIS  19           HA       HIS  19 -16.430  -5.898   4.235
   84    HD1  HIS  19           HD1      HIS  19 -17.349  -8.015   6.588
   85    HD2  HIS  19           HD2      HIS  19 -19.149  -8.924   2.951
   86    HE1  HIS  19           HE1      HIS  19 -17.340 -10.533   6.445
   87    HE2  HIS  19           HE2      HIS  19 -18.506 -11.072   4.272
   88    HB2  HIS  19           2HB      HIS  19 -18.506  -6.040   5.469
   89    HB3  HIS  19           1HB      HIS  19 -19.414  -6.347   3.993
   90    H    ALA  20           H        ALA  20 -18.140  -5.125   1.397
   91    HA   ALA  20           HA       ALA  20 -18.125  -7.385  -0.163
   92    HB1  ALA  20           3HB      ALA  20 -18.005  -5.893  -2.091
   93    HB2  ALA  20           1HB      ALA  20 -17.473  -4.575  -1.045
   94    HB3  ALA  20           2HB      ALA  20 -19.093  -5.252  -0.858
   95    H    GLU  21           H        GLU  21 -15.449  -5.064   0.248
   96    HA   GLU  21           HA       GLU  21 -13.612  -7.213  -0.424
   97    HB2  GLU  21           2HB      GLU  21 -12.344  -5.869  -1.982
   98    HB3  GLU  21           1HB      GLU  21 -13.989  -6.062  -2.545
   99    HG2  GLU  21           2HG      GLU  21 -14.485  -3.764  -1.811
  100    HG3  GLU  21           1HG      GLU  21 -12.820  -3.611  -1.246
  101    H    GLU  22           H        GLU  22 -14.056  -6.348   2.083
  102    HA   GLU  22           HA       GLU  22 -12.070  -4.337   2.748
  103    HB2  GLU  22           2HB      GLU  22 -14.176  -4.239   3.947
  104    HB3  GLU  22           1HB      GLU  22 -13.975  -5.900   4.495
  105    HG2  GLU  22           2HG      GLU  22 -11.899  -5.169   5.678
  106    HG3  GLU  22           1HG      GLU  22 -12.322  -3.508   5.269
  107    H    ILE  23           H        ILE  23 -10.020  -4.982   2.826
  108    HA   ILE  23           HA       ILE  23  -9.443  -7.369   4.452
  109    HB   ILE  23           HB       ILE  23  -7.669  -5.823   2.549
  110   HG12  ILE  23          2HG1      ILE  23  -8.287  -8.768   2.559
  111   HG13  ILE  23          1HG1      ILE  23  -9.306  -7.612   1.704
  112   HG21  ILE  23          1HG2      ILE  23  -6.395  -6.393   4.542
  113   HG22  ILE  23          2HG2      ILE  23  -5.873  -7.368   3.168
  114   HG23  ILE  23          3HG2      ILE  23  -6.911  -8.074   4.407
  115   HD11  ILE  23          3HD1      ILE  23  -6.380  -8.105   1.208
  116   HD12  ILE  23          1HD1      ILE  23  -7.395  -6.956   0.338
  117   HD13  ILE  23          2HD1      ILE  23  -7.715  -8.687   0.213
  118    H    GLN  24           H        GLN  24  -9.008  -6.978   6.505
  119    HA   GLN  24           HA       GLN  24  -8.364  -4.256   7.323
  120    HB2  GLN  24           2HB      GLN  24  -9.080  -6.714   8.935
  121    HB3  GLN  24           1HB      GLN  24  -8.748  -5.131   9.623
  122    HG2  GLN  24           2HG      GLN  24 -10.655  -4.197   8.450
  123    HG3  GLN  24           1HG      GLN  24 -10.976  -5.760   7.701
  124   HE21  GLN  24          1HE2      GLN  24 -13.055  -5.832   8.612
  125   HE22  GLN  24          2HE2      GLN  24 -13.285  -6.177  10.295
  126    H    CYS  25           H        CYS  25  -6.259  -3.854   7.043
  127    HA   CYS  25           HA       CYS  25  -4.319  -5.799   8.099
  128    HG   CYS  25           HG       CYS  25  -1.569  -5.780   5.863
  129    HB2  CYS  25           2HB      CYS  25  -4.048  -5.186   5.706
  130    HB3  CYS  25           1HB      CYS  25  -3.861  -3.500   6.178
  131    H    ASN  26           H        ASN  26  -3.318  -5.315   9.917
  132    HA   ASN  26           HA       ASN  26  -2.526  -4.223  11.734
  133    HB2  ASN  26           2HB      ASN  26  -1.287  -2.803  10.155
  134    HB3  ASN  26           1HB      ASN  26  -2.688  -1.751   9.994
  135   HD21  ASN  26          1HD2      ASN  26  -1.693   0.058  10.740
  136   HD22  ASN  26          2HD2      ASN  26  -1.199   0.268  12.382
  137    H    GLY  27           H        GLY  27  -4.572  -1.643  10.429
  138    HA2  GLY  27           2HA      GLY  27  -6.745  -2.226  12.212
  139    HA3  GLY  27           1HA      GLY  27  -5.801  -0.829  12.720
  140    H    ARG  28           H        ARG  28  -6.038  -1.539   9.352
  141    HA   ARG  28           HA       ARG  28  -8.029   0.596   9.009
  142    HE   ARG  28           HE       ARG  28  -8.574   3.344   5.412
  143    HB2  ARG  28           2HB      ARG  28  -5.806   1.563   8.668
  144    HB3  ARG  28           1HB      ARG  28  -5.413   0.295   7.519
  145    HG2  ARG  28           2HG      ARG  28  -5.910   2.255   6.286
  146    HG3  ARG  28           1HG      ARG  28  -7.255   1.136   6.069
  147    HD2  ARG  28           2HD      ARG  28  -8.588   2.358   7.666
  148    HD3  ARG  28           1HD      ARG  28  -7.227   3.415   8.045
  149   HH11  ARG  28          1HH1      ARG  28  -7.042   5.083   8.034
  150   HH12  ARG  28          2HH1      ARG  28  -7.061   6.610   7.199
  151   HH21  ARG  28          1HH2      ARG  28  -8.585   5.368   4.303
  152   HH22  ARG  28          2HH2      ARG  28  -7.936   6.777   5.099
  153    H    SER  29           H        SER  29  -9.469   0.259   7.389
  154    HA   SER  29           HA       SER  29  -9.513  -2.346   6.149
  155    HG   SER  29           HG       SER  29 -12.403  -2.062   7.316
  156    HB2  SER  29           2HB      SER  29 -11.450  -0.036   5.868
  157    HB3  SER  29           1HB      SER  29 -11.733  -1.702   5.366
  158    H    PHE  30           H        PHE  30  -8.616  -2.772   4.267
  159    HA   PHE  30           HA       PHE  30  -8.293  -0.592   2.302
  160    HD1  PHE  30           HD2      PHE  30  -5.515   0.241   1.875
  161    HD2  PHE  30           HD1      PHE  30  -5.864  -2.802   4.828
  162    HE1  PHE  30           HE2      PHE  30  -3.906   1.440   3.298
  163    HE2  PHE  30           HE1      PHE  30  -4.257  -1.607   6.257
  164    HZ   PHE  30           HZ       PHE  30  -3.274   0.516   5.489
  165    HB2  PHE  30           2HB      PHE  30  -6.701  -3.147   2.624
  166    HB3  PHE  30           1HB      PHE  30  -6.456  -1.959   1.352
  167    H    HIS  31           H        HIS  31  -8.937  -0.991   0.173
  168    HA   HIS  31           HA       HIS  31 -10.860  -3.021  -0.324
  169    HD2  HIS  31           HD2      HIS  31 -12.831  -1.813  -0.634
  170    HE1  HIS  31           HE1      HIS  31 -12.587   2.080  -2.238
  171    HE2  HIS  31           HE2      HIS  31 -13.958   0.522  -0.822
  172    HB2  HIS  31           2HB      HIS  31  -9.275  -1.227  -2.164
  173    HB3  HIS  31           1HB      HIS  31 -10.405  -2.426  -2.775
  174    H    LYS  32           H        LYS  32 -10.628  -5.005  -1.384
  175    HA   LYS  32           HA       LYS  32  -8.180  -6.363  -1.254
  176    HB2  LYS  32           2HB      LYS  32 -10.235  -7.611  -1.368
  177    HB3  LYS  32           1HB      LYS  32 -10.640  -6.906  -2.925
  178    HG2  LYS  32           2HG      LYS  32  -8.915  -8.124  -4.020
  179    HG3  LYS  32           1HG      LYS  32  -8.227  -8.647  -2.481
  180    HD2  LYS  32           2HD      LYS  32 -11.024  -9.366  -3.325
  181    HD3  LYS  32           1HD      LYS  32  -9.624 -10.353  -3.750
  182    HE2  LYS  32           2HE      LYS  32 -10.337  -9.580  -0.927
  183    HE3  LYS  32           1HE      LYS  32 -10.849 -11.086  -1.688
  184    HZ1  LYS  32           3HZ      LYS  32  -8.614 -11.790  -1.891
  185    HZ2  LYS  32           1HZ      LYS  32  -8.791 -11.242  -0.296
  186    HZ3  LYS  32           2HZ      LYS  32  -8.003 -10.275  -1.446
  187    H    THR  33           H        THR  33  -9.551  -4.276  -3.640
  188    HA   THR  33           HA       THR  33  -7.600  -4.900  -5.664
  189    HB   THR  33           HB       THR  33  -8.604  -2.772  -6.714
  190    HG1  THR  33           HG1      THR  33 -10.613  -3.292  -4.738
  191   HG21  THR  33          3HG2      THR  33 -10.352  -5.180  -6.205
  192   HG22  THR  33          1HG2      THR  33  -9.130  -5.035  -7.468
  193   HG23  THR  33          2HG2      THR  33 -10.565  -4.010  -7.507
  194    H    CYS  34           H        CYS  34  -7.452  -3.162  -2.827
  195    HA   CYS  34           HA       CYS  34  -5.321  -1.422  -3.894
  196    HB2  CYS  34           2HB      CYS  34  -7.138  -0.776  -1.568
  197    HB3  CYS  34           1HB      CYS  34  -5.935   0.283  -2.300
  198    H    PHE  35           H        PHE  35  -5.633  -4.135  -2.291
  199    HA   PHE  35           HA       PHE  35  -4.269  -3.525   0.169
  200    HD1  PHE  35           HD2      PHE  35  -4.556  -4.665   2.310
  201    HD2  PHE  35           HD1      PHE  35  -3.716  -7.928  -0.294
  202    HE1  PHE  35           HE2      PHE  35  -3.353  -5.802   4.126
  203    HE2  PHE  35           HE1      PHE  35  -2.507  -9.066   1.521
  204    HZ   PHE  35           HZ       PHE  35  -2.330  -8.000   3.731
  205    HB2  PHE  35           2HB      PHE  35  -5.951  -5.301   0.113
  206    HB3  PHE  35           1HB      PHE  35  -4.997  -6.186  -1.073
  207    H    HIS  36           H        HIS  36  -3.235  -3.901  -2.956
  208    HA   HIS  36           HA       HIS  36  -0.828  -5.358  -2.300
  209    HD1  HIS  36           HD1      HIS  36  -3.851  -4.896  -5.379
  210    HD2  HIS  36           HD2      HIS  36  -0.527  -2.437  -5.792
  211    HE1  HIS  36           HE1      HIS  36  -4.540  -3.088  -6.973
  212    HE2  HIS  36           HE2      HIS  36  -2.457  -1.756  -7.389
  213    HB2  HIS  36           2HB      HIS  36  -0.255  -5.074  -4.705
  214    HB3  HIS  36           1HB      HIS  36  -1.785  -5.888  -4.411
  215    H    CYS  37           H        CYS  37   1.238  -4.318  -3.483
  216    HA   CYS  37           HA       CYS  37   2.122  -2.658  -1.474
  217    HB2  CYS  37           2HB      CYS  37   3.494  -4.095  -3.009
  218    HB3  CYS  37           1HB      CYS  37   3.361  -2.817  -4.211
  219    H    MET  38           H        MET  38   2.026  -0.644  -1.031
  220    HA   MET  38           HA       MET  38   0.750   1.279  -2.709
  221    HB2  MET  38           2HB      MET  38   2.251   1.616  -0.106
  222    HB3  MET  38           1HB      MET  38   1.268   2.853  -0.877
  223    HG2  MET  38           2HG      MET  38   0.244   0.194   0.092
  224    HG3  MET  38           1HG      MET  38   0.119   1.713   0.978
  225    HE1  MET  38           3HE      MET  38  -2.516   1.255   1.172
  226    HE2  MET  38           1HE      MET  38  -2.323  -0.227   0.234
  227    HE3  MET  38           2HE      MET  38  -3.548   0.955  -0.227
  228    H    ALA  39           H        ALA  39   4.010   0.252  -2.251
  229    HA   ALA  39           HA       ALA  39   5.133   2.812  -3.030
  230    HB1  ALA  39           3HB      ALA  39   6.230   1.527  -1.293
  231    HB2  ALA  39           1HB      ALA  39   7.297   1.767  -2.674
  232    HB3  ALA  39           2HB      ALA  39   6.511   0.207  -2.429
  233    H    CYS  40           H        CYS  40   5.261  -0.528  -4.371
  234    HA   CYS  40           HA       CYS  40   5.877   0.720  -6.952
  235    HB2  CYS  40           2HB      CYS  40   6.465  -1.541  -7.764
  236    HB3  CYS  40           1HB      CYS  40   7.429  -1.059  -6.379
  237    H    ARG  41           H        ARG  41   4.298  -2.354  -6.569
  238    HA   ARG  41           HA       ARG  41   1.644  -1.599  -6.458
  239    HE   ARG  41           HE       ARG  41   0.644   1.254  -8.907
  240    HB2  ARG  41           2HB      ARG  41   2.403  -0.691  -8.819
  241    HB3  ARG  41           1HB      ARG  41   2.153  -2.363  -9.302
  242    HG2  ARG  41           2HG      ARG  41   0.172  -0.991  -9.714
  243    HG3  ARG  41           1HG      ARG  41  -0.149  -2.273  -8.543
  244    HD2  ARG  41           2HD      ARG  41  -1.173  -0.246  -7.757
  245    HD3  ARG  41           1HD      ARG  41   0.200  -0.627  -6.719
  246   HH11  ARG  41          1HH1      ARG  41   0.266   0.701  -5.454
  247   HH12  ARG  41          2HH1      ARG  41   0.773   2.301  -5.028
  248   HH21  ARG  41          1HH2      ARG  41   1.313   3.346  -8.319
  249   HH22  ARG  41          2HH2      ARG  41   1.355   3.807  -6.640
  250    H    LYS  42           H        LYS  42   3.946  -3.794  -6.286
  251    HA   LYS  42           HA       LYS  42   3.026  -6.131  -7.486
  252    HB2  LYS  42           2HB      LYS  42   5.271  -5.927  -6.544
  253    HB3  LYS  42           1HB      LYS  42   4.598  -5.793  -4.923
  254    HG2  LYS  42           2HG      LYS  42   3.741  -8.057  -5.062
  255    HG3  LYS  42           1HG      LYS  42   4.336  -8.199  -6.715
  256    HD2  LYS  42           2HD      LYS  42   6.634  -7.910  -5.899
  257    HD3  LYS  42           1HD      LYS  42   6.023  -7.792  -4.245
  258    HE2  LYS  42           2HE      LYS  42   5.174 -10.041  -4.350
  259    HE3  LYS  42           1HE      LYS  42   5.597 -10.165  -6.055
  260    HZ1  LYS  42           3HZ      LYS  42   7.237 -11.294  -4.802
  261    HZ2  LYS  42           1HZ      LYS  42   7.462  -9.982  -3.754
  262    HZ3  LYS  42           2HZ      LYS  42   7.949  -9.866  -5.374
  263    H    ALA  43           H        ALA  43   1.600  -7.693  -6.937
  264    HA   ALA  43           HA       ALA  43  -0.426  -7.097  -5.003
  265    HB1  ALA  43           3HB      ALA  43  -0.945  -8.253  -7.101
  266    HB2  ALA  43           1HB      ALA  43  -1.432  -9.209  -5.701
  267    HB3  ALA  43           2HB      ALA  43   0.035  -9.626  -6.586
  268    H    LEU  44           H        LEU  44  -0.316  -7.499  -2.892
  269    HA   LEU  44           HA       LEU  44   1.749  -9.283  -1.877
  270    HG   LEU  44           HG       LEU  44   2.226  -6.474   0.412
  271    HB2  LEU  44           2HB      LEU  44   0.088  -7.104  -0.705
  272    HB3  LEU  44           1HB      LEU  44   0.734  -8.329   0.367
  273   HD11  LEU  44          1HD1      LEU  44   3.307  -8.646   0.408
  274   HD12  LEU  44          2HD1      LEU  44   4.301  -7.463  -0.441
  275   HD13  LEU  44          3HD1      LEU  44   3.356  -8.636  -1.355
  276   HD21  LEU  44          3HD2      LEU  44   2.293  -6.656  -2.592
  277   HD22  LEU  44          1HD2      LEU  44   3.306  -5.600  -1.606
  278   HD23  LEU  44          2HD2      LEU  44   1.556  -5.372  -1.633
  279    H    ASP  45           H        ASP  45   1.381 -10.884  -0.359
  280    HA   ASP  45           HA       ASP  45  -1.382 -11.897  -0.181
  281    HB2  ASP  45           2HB      ASP  45   0.020 -13.441  -1.438
  282    HB3  ASP  45           1HB      ASP  45   1.251 -13.402  -0.182
  283    H    SER  46           H        SER  46  -1.682 -13.225   1.906
  284    HA   SER  46           HA       SER  46  -1.668 -11.571   4.055
  285    HG   SER  46           HG       SER  46  -3.931 -13.946   4.339
  286    HB2  SER  46           2HB      SER  46  -1.437 -14.579   4.230
  287    HB3  SER  46           1HB      SER  46  -2.176 -13.502   5.415
  288    H    THR  47           H        THR  47   0.890 -13.931   3.291
  289    HA   THR  47           HA       THR  47   2.268 -13.155   5.756
  290    HB   THR  47           HB       THR  47   3.029 -15.418   3.911
  291    HG1  THR  47           HG1      THR  47   1.108 -16.168   4.516
  292   HG21  THR  47          3HG2      THR  47   4.702 -14.740   5.581
  293   HG22  THR  47          1HG2      THR  47   4.054 -16.340   5.926
  294   HG23  THR  47          2HG2      THR  47   3.501 -14.948   6.857
  295    H    THR  48           H        THR  48   2.333 -12.279   2.522
  296    HA   THR  48           HA       THR  48   5.245 -11.990   2.500
  297    HB   THR  48           HB       THR  48   4.909 -11.372   0.058
  298    HG1  THR  48           HG1      THR  48   2.660 -12.689  -0.339
  299   HG21  THR  48          3HG2      THR  48   4.123 -14.122   1.037
  300   HG22  THR  48          1HG2      THR  48   5.757 -13.546   0.703
  301   HG23  THR  48          2HG2      THR  48   4.604 -13.744  -0.617
  302    H    VAL  49           H        VAL  49   2.378 -10.126   2.849
  303    HA   VAL  49           HA       VAL  49   3.492  -7.617   2.067
  304    HB   VAL  49           HB       VAL  49   1.154  -7.629   2.058
  305   HG11  VAL  49          1HG1      VAL  49   0.789  -9.577   3.489
  306   HG12  VAL  49          2HG1      VAL  49  -0.238  -8.231   3.986
  307   HG13  VAL  49          3HG1      VAL  49   1.213  -8.621   4.910
  308   HG21  VAL  49          3HG2      VAL  49   1.993  -6.203   4.573
  309   HG22  VAL  49          1HG2      VAL  49   0.491  -5.926   3.690
  310   HG23  VAL  49          2HG2      VAL  49   2.040  -5.560   2.932
  311    H    ALA  50           H        ALA  50   4.709  -6.224   3.152
  312    HA   ALA  50           HA       ALA  50   5.360  -6.854   5.951
  313    HB1  ALA  50           3HB      ALA  50   7.260  -6.874   4.426
  314    HB2  ALA  50           1HB      ALA  50   7.403  -5.552   5.584
  315    HB3  ALA  50           2HB      ALA  50   6.893  -5.224   3.927
  316    H    ALA  51           H        ALA  51   4.094  -5.725   7.264
  317    HA   ALA  51           HA       ALA  51   3.523  -2.924   6.616
  318    HB1  ALA  51           3HB      ALA  51   1.552  -4.348   6.881
  319    HB2  ALA  51           1HB      ALA  51   1.627  -3.100   8.125
  320    HB3  ALA  51           2HB      ALA  51   2.074  -4.760   8.515
  321    H    HIS  52           H        HIS  52   4.191  -1.334   7.894
  322    HA   HIS  52           HA       HIS  52   5.200  -1.967  10.571
  323    HD1  HIS  52           HD1      HIS  52   8.595   1.069   9.587
  324    HD2  HIS  52           HD2      HIS  52   7.044  -1.731  12.246
  325    HE1  HIS  52           HE1      HIS  52   9.752   1.495  11.781
  326    HE2  HIS  52           HE2      HIS  52   8.936  -0.336  13.318
  327    HB2  HIS  52           2HB      HIS  52   7.142  -1.934   9.019
  328    HB3  HIS  52           1HB      HIS  52   6.734  -0.278   8.578
  329    H    GLU  53           H        GLU  53   4.152  -0.739  11.942
  330    HA   GLU  53           HA       GLU  53   3.172   1.009  12.967
  331    HB2  GLU  53           2HB      GLU  53   4.515   2.682  10.838
  332    HB3  GLU  53           1HB      GLU  53   3.736   3.311  12.280
  333    HG2  GLU  53           2HG      GLU  53   6.164   1.542  12.183
  334    HG3  GLU  53           1HG      GLU  53   6.119   3.257  12.592
  335    H    SER  54           H        SER  54   2.967   2.462   9.746
  336    HA   SER  54           HA       SER  54   0.111   1.798   9.670
  337    HG   SER  54           HG       SER  54   1.718   4.882   8.359
  338    HB2  SER  54           2HB      SER  54  -0.317   4.158   8.867
  339    HB3  SER  54           1HB      SER  54   0.143   4.025  10.564
  340    H    GLU  55           H        GLU  55   2.936   1.434   8.181
  341    HA   GLU  55           HA       GLU  55   1.911   1.999   5.481
  342    HB2  GLU  55           2HB      GLU  55   4.787   1.597   6.299
  343    HB3  GLU  55           1HB      GLU  55   4.198   2.149   4.738
  344    HG2  GLU  55           2HG      GLU  55   4.167   3.618   7.356
  345    HG3  GLU  55           1HG      GLU  55   5.025   4.044   5.876
  346    H    ILE  56           H        ILE  56   1.894   0.435   3.947
  347    HA   ILE  56           HA       ILE  56   2.880  -2.241   4.657
  348    HB   ILE  56           HB       ILE  56   0.736  -2.901   4.875
  349   HG12  ILE  56          2HG1      ILE  56   0.711  -2.491   1.875
  350   HG13  ILE  56          1HG1      ILE  56   1.260  -3.927   2.731
  351   HG21  ILE  56          1HG2      ILE  56  -0.145  -0.484   3.313
  352   HG22  ILE  56          2HG2      ILE  56  -0.073  -0.636   5.069
  353   HG23  ILE  56          3HG2      ILE  56  -1.210  -1.617   4.146
  354   HD11  ILE  56          3HD1      ILE  56  -1.558  -2.871   2.655
  355   HD12  ILE  56          1HD1      ILE  56  -1.019  -4.296   3.546
  356   HD13  ILE  56          2HD1      ILE  56  -0.936  -4.274   1.784
  357    H    TYR  57           H        TYR  57   4.174  -3.077   3.152
  358    HA   TYR  57           HA       TYR  57   3.802  -2.357   0.346
  359    HD1  TYR  57           HD2      TYR  57   4.509   0.346  -0.160
  360    HD2  TYR  57           HD1      TYR  57   6.698  -0.734   3.320
  361    HE1  TYR  57           HE2      TYR  57   4.302   2.649   0.681
  362    HE2  TYR  57           HE1      TYR  57   6.497   1.558   4.171
  363    HH   TYR  57           HH       TYR  57   4.362   3.819   2.882
  364    HB2  TYR  57           2HB      TYR  57   6.563  -2.230   1.562
  365    HB3  TYR  57           1HB      TYR  57   6.061  -1.703  -0.034
  366    H    CYS  58           H        CYS  58   5.391  -3.647  -1.040
  367    HA   CYS  58           HA       CYS  58   5.446  -6.389  -0.229
  368    HB2  CYS  58           2HB      CYS  58   6.385  -6.848  -2.370
  369    HB3  CYS  58           1HB      CYS  58   5.236  -5.540  -2.626
  370    H    LYS  59           H        LYS  59   7.608  -7.613  -0.380
  371    HA   LYS  59           HA       LYS  59   9.301  -6.555   1.648
  372    HB2  LYS  59           2HB      LYS  59   9.699  -8.971  -0.126
  373    HB3  LYS  59           1HB      LYS  59  10.638  -8.601   1.315
  374    HG2  LYS  59           2HG      LYS  59   8.581  -8.771   2.663
  375    HG3  LYS  59           1HG      LYS  59   7.691  -9.220   1.208
  376    HD2  LYS  59           2HD      LYS  59   9.240 -11.153   0.938
  377    HD3  LYS  59           1HD      LYS  59   9.954 -10.743   2.499
  378    HE2  LYS  59           2HE      LYS  59   7.050 -11.398   2.036
  379    HE3  LYS  59           1HE      LYS  59   8.251 -12.535   2.643
  380    HZ1  LYS  59           3HZ      LYS  59   6.843 -11.442   4.371
  381    HZ2  LYS  59           1HZ      LYS  59   7.610  -9.976   4.010
  382    HZ3  LYS  59           2HZ      LYS  59   8.508 -11.277   4.618
  383    H    VAL  60           H        VAL  60   9.215  -6.107  -1.690
  384    HA   VAL  60           HA       VAL  60  12.051  -5.776  -2.093
  385    HB   VAL  60           HB       VAL  60   9.762  -4.901  -3.870
  386   HG11  VAL  60          1HG1      VAL  60  11.811  -3.705  -4.388
  387   HG12  VAL  60          2HG1      VAL  60  11.465  -4.884  -5.654
  388   HG13  VAL  60          3HG1      VAL  60  12.708  -5.220  -4.449
  389   HG21  VAL  60          3HG2      VAL  60   9.710  -7.299  -3.518
  390   HG22  VAL  60          1HG2      VAL  60  11.423  -7.418  -3.921
  391   HG23  VAL  60          2HG2      VAL  60  10.258  -6.941  -5.155
  392    H    CYS  61           H        CYS  61   9.236  -3.585  -1.959
  393    HA   CYS  61           HA       CYS  61  10.847  -1.231  -1.949
  394    HB2  CYS  61           2HB      CYS  61   7.969  -1.600  -1.107
  395    HB3  CYS  61           1HB      CYS  61   8.764  -0.055  -1.397
  396    H    TYR  62           H        TYR  62   9.440  -3.277   0.533
  397    HA   TYR  62           HA       TYR  62  10.060  -1.684   2.763
  398    HD1  TYR  62           HD2      TYR  62   8.038  -2.614   4.801
  399    HD2  TYR  62           HD1      TYR  62  11.617  -4.904   4.579
  400    HE1  TYR  62           HE2      TYR  62   8.204  -2.578   7.255
  401    HE2  TYR  62           HE1      TYR  62  11.797  -4.875   7.033
  402    HH   TYR  62           HH       TYR  62   9.270  -4.025   9.051
  403    HB2  TYR  62           2HB      TYR  62   8.652  -3.784   2.755
  404    HB3  TYR  62           1HB      TYR  62  10.145  -4.707   2.655
  405    H    GLY  63           H        GLY  63  11.933  -4.100   0.982
  406    HA2  GLY  63           2HA      GLY  63  14.298  -3.749   2.573
  407    HA3  GLY  63           1HA      GLY  63  14.171  -4.647   1.067
  408    H    ARG  64           H        ARG  64  12.859  -1.907   0.167
  409    HA   ARG  64           HA       ARG  64  15.322  -0.718  -0.800
  410    HE   ARG  64           HE       ARG  64  13.312   0.316  -4.784
  411    HB2  ARG  64           2HB      ARG  64  13.383  -0.888  -2.300
  412    HB3  ARG  64           1HB      ARG  64  12.429   0.095  -1.198
  413    HG2  ARG  64           2HG      ARG  64  14.106   1.938  -1.565
  414    HG3  ARG  64           1HG      ARG  64  14.794   0.943  -2.849
  415    HD2  ARG  64           2HD      ARG  64  11.936   1.892  -2.716
  416    HD3  ARG  64           1HD      ARG  64  13.203   2.612  -3.707
  417   HH11  ARG  64          1HH1      ARG  64  10.389   1.640  -3.394
  418   HH12  ARG  64          2HH1      ARG  64   9.324   0.715  -4.402
  419   HH21  ARG  64          1HH2      ARG  64  11.902  -0.859  -6.185
  420   HH22  ARG  64          2HH2      ARG  64  10.186  -0.678  -6.019
  421    H    ARG  65           H        ARG  65  12.476   0.371   1.050
  422    HA   ARG  65           HA       ARG  65  13.656   2.857   1.774
  423    HE   ARG  65           HE       ARG  65  10.820   5.192   5.197
  424    HB2  ARG  65           2HB      ARG  65  11.237   2.599   1.657
  425    HB3  ARG  65           1HB      ARG  65  11.284   1.408   2.952
  426    HG2  ARG  65           2HG      ARG  65  12.129   3.130   4.485
  427    HG3  ARG  65           1HG      ARG  65  12.026   4.316   3.184
  428    HD2  ARG  65           2HD      ARG  65   9.625   3.989   3.042
  429    HD3  ARG  65           1HD      ARG  65   9.703   2.741   4.287
  430   HH11  ARG  65          1HH1      ARG  65   7.739   3.678   4.522
  431   HH12  ARG  65          2HH1      ARG  65   6.898   4.539   5.769
  432   HH21  ARG  65          1HH2      ARG  65   9.729   6.331   6.828
  433   HH22  ARG  65          2HH2      ARG  65   8.033   6.038   7.103
  434    H    TYR  66           H        TYR  66  13.177  -0.202   3.511
  435    HA   TYR  66           HA       TYR  66  14.803   0.840   5.720
  436    HD1  TYR  66           HD1      TYR  66  13.555   0.875   8.166
  437    HD2  TYR  66           HD2      TYR  66  10.920  -0.788   5.272
  438    HE1  TYR  66           HE1      TYR  66  11.694   2.150   9.137
  439    HE2  TYR  66           HE2      TYR  66   9.049   0.490   6.234
  440    HH   TYR  66           HH       TYR  66   9.509   3.016   8.492
  441    HB2  TYR  66           2HB      TYR  66  13.097  -1.651   5.491
  442    HB3  TYR  66           1HB      TYR  66  14.083  -1.260   6.895
  Start of MODEL    2
    1    H1   GLY   7           1H       GLY   7 -19.491   4.581   5.131
    2    HA2  GLY   7           2HA      GLY   7 -19.582   2.341   6.804
    3    HA3  GLY   7           1HA      GLY   7 -19.049   1.796   5.218
    4    H    ALA   8           H        ALA   8 -16.937   1.380   5.519
    5    HA   ALA   8           HA       ALA   8 -15.251   3.301   6.935
    6    HB1  ALA   8           3HB      ALA   8 -13.493   1.610   6.673
    7    HB2  ALA   8           1HB      ALA   8 -14.585   0.624   5.701
    8    HB3  ALA   8           2HB      ALA   8 -14.943   0.919   7.402
    9    H    LYS   9           H        LYS   9 -12.963   3.501   5.726
   10    HA   LYS   9           HA       LYS   9 -13.509   4.080   2.900
   11    HB2  LYS   9           2HB      LYS   9 -12.192   6.114   3.031
   12    HB3  LYS   9           1HB      LYS   9 -13.508   6.189   4.193
   13    HG2  LYS   9           2HG      LYS   9 -12.020   5.739   6.006
   14    HG3  LYS   9           1HG      LYS   9 -10.689   5.412   4.896
   15    HD2  LYS   9           2HD      LYS   9 -12.100   8.062   5.196
   16    HD3  LYS   9           1HD      LYS   9 -10.543   7.655   5.915
   17    HE2  LYS   9           2HE      LYS   9 -11.166   7.742   2.960
   18    HE3  LYS   9           1HE      LYS   9 -10.267   8.957   3.867
   19    HZ1  LYS   9           3HZ      LYS   9  -8.656   7.636   2.845
   20    HZ2  LYS   9           1HZ      LYS   9  -9.450   6.186   3.214
   21    HZ3  LYS   9           2HZ      LYS   9  -8.693   7.067   4.442
   22    H    CYS  10           H        CYS  10 -11.906   3.614   1.494
   23    HA   CYS  10           HA       CYS  10  -9.940   1.719   2.228
   24    HB2  CYS  10           2HB      CYS  10 -10.954   2.050  -0.049
   25    HB3  CYS  10           1HB      CYS  10  -9.966   3.490  -0.220
   26    H    GLY  11           H        GLY  11  -7.976   1.966   3.032
   27    HA2  GLY  11           2HA      GLY  11  -6.864   4.520   3.634
   28    HA3  GLY  11           1HA      GLY  11  -6.055   2.969   3.814
   29    H    ALA  12           H        ALA  12  -6.821   2.591   0.822
   30    HA   ALA  12           HA       ALA  12  -4.415   3.900  -0.214
   31    HB1  ALA  12           3HB      ALA  12  -6.145   1.778  -1.481
   32    HB2  ALA  12           1HB      ALA  12  -4.647   1.488  -0.595
   33    HB3  ALA  12           2HB      ALA  12  -4.616   2.387  -2.111
   34    H    CYS  13           H        CYS  13  -7.860   3.531  -0.925
   35    HA   CYS  13           HA       CYS  13  -7.759   5.650  -2.927
   36    HB2  CYS  13           2HB      CYS  13 -10.112   4.067  -1.863
   37    HB3  CYS  13           1HB      CYS  13 -10.146   5.162  -3.234
   38    H    GLU  14           H        GLU  14  -9.931   7.052  -2.701
   39    HA   GLU  14           HA       GLU  14 -10.234   7.968   0.081
   40    HB2  GLU  14           2HB      GLU  14 -11.045  10.080  -0.794
   41    HB3  GLU  14           1HB      GLU  14  -9.466   9.735  -1.490
   42    HG2  GLU  14           2HG      GLU  14 -12.040   9.090  -2.849
   43    HG3  GLU  14           1HG      GLU  14 -11.203  10.626  -3.070
   44    H    LYS  15           H        LYS  15 -11.360   5.905  -1.971
   45    HA   LYS  15           HA       LYS  15 -14.182   6.532  -1.987
   46    HB2  LYS  15           2HB      LYS  15 -12.694   4.119  -3.053
   47    HB3  LYS  15           1HB      LYS  15 -14.371   4.539  -3.392
   48    HG2  LYS  15           2HG      LYS  15 -13.710   6.502  -4.589
   49    HG3  LYS  15           1HG      LYS  15 -12.029   6.288  -4.108
   50    HD2  LYS  15           2HD      LYS  15 -11.929   4.203  -5.390
   51    HD3  LYS  15           1HD      LYS  15 -13.615   4.420  -5.868
   52    HE2  LYS  15           2HE      LYS  15 -12.163   5.158  -7.656
   53    HE3  LYS  15           1HE      LYS  15 -13.009   6.539  -6.966
   54    HZ1  LYS  15           3HZ      LYS  15 -10.709   7.086  -7.337
   55    HZ2  LYS  15           1HZ      LYS  15 -10.193   5.755  -6.430
   56    HZ3  LYS  15           2HZ      LYS  15 -10.992   7.040  -5.667
   57    H    THR  16           H        THR  16 -15.664   4.614  -1.503
   58    HA   THR  16           HA       THR  16 -15.283   4.187   1.321
   59    HB   THR  16           HB       THR  16 -17.656   3.348  -0.283
   60    HG1  THR  16           HG1      THR  16 -18.050   5.379  -0.710
   61   HG21  THR  16          3HG2      THR  16 -17.352   4.322   2.554
   62   HG22  THR  16          1HG2      THR  16 -17.627   2.652   2.055
   63   HG23  THR  16          2HG2      THR  16 -18.876   3.869   1.790
   64    H    VAL  17           H        VAL  17 -15.318   2.287   2.395
   65    HA   VAL  17           HA       VAL  17 -15.165  -0.214   0.843
   66    HB   VAL  17           HB       VAL  17 -13.479   0.739   3.146
   67   HG11  VAL  17          1HG1      VAL  17 -14.373  -1.438   3.835
   68   HG12  VAL  17          2HG1      VAL  17 -12.650  -1.539   3.471
   69   HG13  VAL  17          3HG1      VAL  17 -13.831  -2.139   2.309
   70   HG21  VAL  17          3HG2      VAL  17 -11.655  -0.112   1.769
   71   HG22  VAL  17          1HG2      VAL  17 -12.623   1.093   0.917
   72   HG23  VAL  17          2HG2      VAL  17 -12.826  -0.621   0.552
   73    H    TYR  18           H        TYR  18 -16.508  -1.822   1.537
   74    HA   TYR  18           HA       TYR  18 -18.115  -1.230   3.933
   75    HD1  TYR  18           HD2      TYR  18 -18.378  -1.112  -0.151
   76    HD2  TYR  18           HD1      TYR  18 -20.930  -0.315   3.163
   77    HE1  TYR  18           HE2      TYR  18 -19.162   0.942  -1.253
   78    HE2  TYR  18           HE1      TYR  18 -21.717   1.740   2.069
   79    HH   TYR  18           HH       TYR  18 -21.079   3.300   0.401
   80    HB2  TYR  18           2HB      TYR  18 -18.886  -2.850   1.491
   81    HB3  TYR  18           1HB      TYR  18 -19.924  -2.508   2.873
   82    H    HIS  19           H        HIS  19 -19.325  -3.760   4.196
   83    HA   HIS  19           HA       HIS  19 -17.256  -5.190   5.538
   84    HD1  HIS  19           HD1      HIS  19 -19.978  -8.581   4.938
   85    HD2  HIS  19           HD2      HIS  19 -21.449  -4.848   3.824
   86    HE1  HIS  19           HE1      HIS  19 -21.899  -9.041   3.380
   87    HE2  HIS  19           HE2      HIS  19 -22.675  -6.777   2.602
   88    HB2  HIS  19           2HB      HIS  19 -18.929  -6.717   6.238
   89    HB3  HIS  19           1HB      HIS  19 -19.719  -5.148   6.174
   90    H    ALA  20           H        ALA  20 -18.069  -5.113   2.292
   91    HA   ALA  20           HA       ALA  20 -17.775  -7.948   1.757
   92    HB1  ALA  20           3HB      ALA  20 -19.404  -6.560   0.534
   93    HB2  ALA  20           1HB      ALA  20 -18.259  -7.371  -0.534
   94    HB3  ALA  20           2HB      ALA  20 -18.062  -5.656  -0.173
   95    H    GLU  21           H        GLU  21 -16.081  -4.967   0.845
   96    HA   GLU  21           HA       GLU  21 -13.868  -6.622  -0.162
   97    HB2  GLU  21           2HB      GLU  21 -13.323  -4.672  -1.608
   98    HB3  GLU  21           1HB      GLU  21 -14.908  -5.359  -1.927
   99    HG2  GLU  21           2HG      GLU  21 -14.424  -2.888  -0.268
  100    HG3  GLU  21           1HG      GLU  21 -14.836  -2.878  -1.980
  101    H    GLU  22           H        GLU  22 -13.938  -6.134   2.556
  102    HA   GLU  22           HA       GLU  22 -11.949  -4.010   2.937
  103    HB2  GLU  22           2HB      GLU  22 -13.900  -3.705   4.337
  104    HB3  GLU  22           1HB      GLU  22 -13.762  -5.349   4.944
  105    HG2  GLU  22           2HG      GLU  22 -11.596  -4.771   5.958
  106    HG3  GLU  22           1HG      GLU  22 -11.797  -3.114   5.400
  107    H    ILE  23           H        ILE  23  -9.931  -4.577   3.186
  108    HA   ILE  23           HA       ILE  23  -9.368  -6.940   4.866
  109    HB   ILE  23           HB       ILE  23  -7.730  -5.816   2.583
  110   HG12  ILE  23          2HG1      ILE  23  -8.339  -8.701   3.122
  111   HG13  ILE  23          1HG1      ILE  23  -9.542  -7.681   2.330
  112   HG21  ILE  23          1HG2      ILE  23  -6.240  -6.127   4.480
  113   HG22  ILE  23          2HG2      ILE  23  -5.939  -7.360   3.257
  114   HG23  ILE  23          3HG2      ILE  23  -6.847  -7.765   4.712
  115   HD11  ILE  23          3HD1      ILE  23  -6.744  -8.224   1.359
  116   HD12  ILE  23          1HD1      ILE  23  -7.940  -7.215   0.547
  117   HD13  ILE  23          2HD1      ILE  23  -8.225  -8.946   0.730
  118    H    GLN  24           H        GLN  24  -8.662  -6.344   6.823
  119    HA   GLN  24           HA       GLN  24  -7.573  -3.642   7.140
  120    HB2  GLN  24           2HB      GLN  24  -8.514  -5.647   9.190
  121    HB3  GLN  24           1HB      GLN  24  -7.813  -4.086   9.584
  122    HG2  GLN  24           2HG      GLN  24  -9.679  -3.104   8.127
  123    HG3  GLN  24           1HG      GLN  24 -10.433  -4.692   8.283
  124   HE21  GLN  24          1HE2      GLN  24 -11.342  -2.112   9.275
  125   HE22  GLN  24          2HE2      GLN  24 -11.504  -2.284  10.990
  126    H    CYS  25           H        CYS  25  -5.488  -3.630   6.665
  127    HA   CYS  25           HA       CYS  25  -3.739  -5.738   7.622
  128    HG   CYS  25           HG       CYS  25  -0.731  -4.673   5.191
  129    HB2  CYS  25           2HB      CYS  25  -3.387  -4.664   5.392
  130    HB3  CYS  25           1HB      CYS  25  -3.024  -3.154   6.220
  131    H    ASN  26           H        ASN  26  -3.615  -5.673   9.767
  132    HA   ASN  26           HA       ASN  26  -2.958  -5.056  11.842
  133    HB2  ASN  26           2HB      ASN  26  -0.945  -4.095  10.813
  134    HB3  ASN  26           1HB      ASN  26  -1.814  -2.593  10.510
  135   HD21  ASN  26          1HD2      ASN  26  -0.301  -1.444  11.709
  136   HD22  ASN  26          2HD2      ASN  26  -0.289  -1.485  13.444
  137    H    GLY  27           H        GLY  27  -4.082  -2.114  10.136
  138    HA2  GLY  27           2HA      GLY  27  -6.217  -1.886  12.125
  139    HA3  GLY  27           1HA      GLY  27  -5.073  -0.560  12.032
  140    H    ARG  28           H        ARG  28  -4.790  -0.656   9.124
  141    HA   ARG  28           HA       ARG  28  -7.098   1.022   8.619
  142    HE   ARG  28           HE       ARG  28  -3.422   4.278   8.933
  143    HB2  ARG  28           2HB      ARG  28  -4.616   0.475   6.986
  144    HB3  ARG  28           1HB      ARG  28  -5.895   1.576   6.492
  145    HG2  ARG  28           2HG      ARG  28  -5.492   2.918   8.510
  146    HG3  ARG  28           1HG      ARG  28  -4.168   1.836   8.942
  147    HD2  ARG  28           2HD      ARG  28  -3.045   2.408   6.824
  148    HD3  ARG  28           1HD      ARG  28  -4.355   3.528   6.452
  149   HH11  ARG  28          1HH1      ARG  28  -2.114   4.022   5.689
  150   HH12  ARG  28          2HH1      ARG  28  -0.895   5.234   5.951
  151   HH21  ARG  28          1HH2      ARG  28  -1.825   5.883   9.272
  152   HH22  ARG  28          2HH2      ARG  28  -0.726   6.281   7.985
  153    H    SER  29           H        SER  29  -8.609   0.774   7.024
  154    HA   SER  29           HA       SER  29  -8.959  -1.943   6.010
  155    HG   SER  29           HG       SER  29 -11.850  -1.543   7.336
  156    HB2  SER  29           2HB      SER  29 -10.814   0.455   6.011
  157    HB3  SER  29           1HB      SER  29 -11.232  -1.135   5.376
  158    H    PHE  30           H        PHE  30  -8.377  -2.449   4.018
  159    HA   PHE  30           HA       PHE  30  -8.313  -0.323   1.973
  160    HD1  PHE  30           HD2      PHE  30  -5.711   0.684   1.548
  161    HD2  PHE  30           HD1      PHE  30  -5.463  -2.727   4.080
  162    HE1  PHE  30           HE2      PHE  30  -4.010   1.824   2.910
  163    HE2  PHE  30           HE1      PHE  30  -3.770  -1.586   5.452
  164    HZ   PHE  30           HZ       PHE  30  -3.011   0.663   4.853
  165    HB2  PHE  30           2HB      PHE  30  -6.644  -2.852   2.055
  166    HB3  PHE  30           1HB      PHE  30  -6.539  -1.570   0.854
  167    H    HIS  31           H        HIS  31  -9.022  -0.946  -0.157
  168    HA   HIS  31           HA       HIS  31 -11.140  -2.795  -0.309
  169    HD2  HIS  31           HD2      HIS  31 -13.173  -1.693  -1.218
  170    HE1  HIS  31           HE1      HIS  31 -12.265   2.147  -2.735
  171    HE2  HIS  31           HE2      HIS  31 -13.975   0.764  -1.484
  172    HB2  HIS  31           2HB      HIS  31  -9.423  -1.546  -2.456
  173    HB3  HIS  31           1HB      HIS  31 -10.670  -2.725  -2.848
  174    H    LYS  32           H        LYS  32 -11.243  -4.873  -0.993
  175    HA   LYS  32           HA       LYS  32  -9.134  -6.623  -0.522
  176    HB2  LYS  32           2HB      LYS  32 -11.558  -7.183  -0.547
  177    HB3  LYS  32           1HB      LYS  32 -11.542  -7.049  -2.297
  178    HG2  LYS  32           2HG      LYS  32 -10.320  -9.003  -2.564
  179    HG3  LYS  32           1HG      LYS  32  -9.726  -8.967  -0.901
  180    HD2  LYS  32           2HD      LYS  32 -11.520 -10.678  -1.373
  181    HD3  LYS  32           1HD      LYS  32 -11.851  -9.580  -0.031
  182    HE2  LYS  32           2HE      LYS  32 -13.062  -8.151  -1.794
  183    HE3  LYS  32           1HE      LYS  32 -13.038  -9.608  -2.784
  184    HZ1  LYS  32           3HZ      LYS  32 -14.244 -10.773  -1.058
  185    HZ2  LYS  32           1HZ      LYS  32 -15.091  -9.378  -1.525
  186    HZ3  LYS  32           2HZ      LYS  32 -14.228  -9.392  -0.071
  187    H    THR  33           H        THR  33 -10.047  -4.854  -3.364
  188    HA   THR  33           HA       THR  33  -8.203  -6.203  -5.124
  189    HB   THR  33           HB       THR  33  -9.508  -3.527  -5.600
  190    HG1  THR  33           HG1      THR  33 -10.619  -6.143  -5.696
  191   HG21  THR  33          3HG2      THR  33  -8.732  -5.777  -7.461
  192   HG22  THR  33          1HG2      THR  33  -7.842  -4.269  -7.247
  193   HG23  THR  33          2HG2      THR  33  -9.464  -4.246  -7.939
  194    H    CYS  34           H        CYS  34  -8.094  -3.599  -2.862
  195    HA   CYS  34           HA       CYS  34  -5.763  -2.348  -4.074
  196    HB2  CYS  34           2HB      CYS  34  -7.479  -1.599  -1.701
  197    HB3  CYS  34           1HB      CYS  34  -6.029  -0.711  -2.165
  198    H    PHE  35           H        PHE  35  -6.104  -5.013  -2.335
  199    HA   PHE  35           HA       PHE  35  -4.203  -4.514  -0.238
  200    HD1  PHE  35           HD2      PHE  35  -4.652  -5.409   1.973
  201    HD2  PHE  35           HD1      PHE  35  -3.663  -8.794  -0.404
  202    HE1  PHE  35           HE2      PHE  35  -3.357  -6.336   3.842
  203    HE2  PHE  35           HE1      PHE  35  -2.363  -9.730   1.467
  204    HZ   PHE  35           HZ       PHE  35  -2.222  -8.497   3.592
  205    HB2  PHE  35           2HB      PHE  35  -6.040  -6.232  -0.094
  206    HB3  PHE  35           1HB      PHE  35  -5.128  -7.206  -1.245
  207    H    HIS  36           H        HIS  36  -2.673  -3.595  -1.804
  208    HA   HIS  36           HA       HIS  36  -0.581  -5.496  -2.202
  209    HD1  HIS  36           HD1      HIS  36  -3.659  -5.048  -5.506
  210    HD2  HIS  36           HD2      HIS  36  -0.796  -2.090  -4.976
  211    HE1  HIS  36           HE1      HIS  36  -4.535  -3.038  -6.728
  212    HE2  HIS  36           HE2      HIS  36  -2.906  -1.193  -6.192
  213    HB2  HIS  36           2HB      HIS  36  -0.193  -4.966  -4.608
  214    HB3  HIS  36           1HB      HIS  36  -1.661  -5.888  -4.324
  215    H    CYS  37           H        CYS  37   1.313  -4.125  -3.420
  216    HA   CYS  37           HA       CYS  37   1.997  -2.428  -1.295
  217    HB2  CYS  37           2HB      CYS  37   3.572  -3.777  -2.705
  218    HB3  CYS  37           1HB      CYS  37   3.365  -2.575  -3.975
  219    H    MET  38           H        MET  38   1.365  -0.491  -0.918
  220    HA   MET  38           HA       MET  38   0.239   1.244  -2.879
  221    HB2  MET  38           2HB      MET  38   0.797   2.852  -0.699
  222    HB3  MET  38           1HB      MET  38  -0.705   2.000  -0.997
  223    HG2  MET  38           2HG      MET  38   1.584   0.802   0.535
  224    HG3  MET  38           1HG      MET  38   0.296   1.727   1.297
  225    HE1  MET  38           3HE      MET  38  -2.835  -0.518   0.332
  226    HE2  MET  38           1HE      MET  38  -2.163   0.818  -0.601
  227    HE3  MET  38           2HE      MET  38  -2.330   0.962   1.149
  228    H    ALA  39           H        ALA  39   3.439   0.533  -2.084
  229    HA   ALA  39           HA       ALA  39   4.437   3.223  -2.554
  230    HB1  ALA  39           3HB      ALA  39   5.987   0.683  -2.098
  231    HB2  ALA  39           1HB      ALA  39   5.502   1.827  -0.847
  232    HB3  ALA  39           2HB      ALA  39   6.635   2.324  -2.102
  233    H    CYS  40           H        CYS  40   4.726   0.027  -4.149
  234    HA   CYS  40           HA       CYS  40   5.533   1.509  -6.552
  235    HB2  CYS  40           2HB      CYS  40   6.480  -0.612  -7.406
  236    HB3  CYS  40           1HB      CYS  40   7.238  -0.089  -5.911
  237    H    ARG  41           H        ARG  41   4.357  -1.753  -6.556
  238    HA   ARG  41           HA       ARG  41   1.607  -1.302  -6.572
  239    HE   ARG  41           HE       ARG  41   1.003   1.250  -8.421
  240    HB2  ARG  41           2HB      ARG  41   2.397  -0.261  -8.859
  241    HB3  ARG  41           1HB      ARG  41   2.432  -1.940  -9.382
  242    HG2  ARG  41           2HG      ARG  41   0.320  -0.755  -9.907
  243    HG3  ARG  41           1HG      ARG  41   0.104  -2.203  -8.920
  244    HD2  ARG  41           2HD      ARG  41  -1.259  -0.250  -8.176
  245    HD3  ARG  41           1HD      ARG  41  -0.176  -0.884  -6.937
  246   HH11  ARG  41          1HH1      ARG  41  -1.218   0.585  -5.786
  247   HH12  ARG  41          2HH1      ARG  41  -0.897   2.088  -4.977
  248   HH21  ARG  41          1HH2      ARG  41   1.432   3.202  -7.357
  249   HH22  ARG  41          2HH2      ARG  41   0.616   3.576  -5.867
  250    H    LYS  42           H        LYS  42   3.983  -3.112  -5.985
  251    HA   LYS  42           HA       LYS  42   3.736  -5.599  -7.209
  252    HB2  LYS  42           2HB      LYS  42   5.566  -4.764  -5.678
  253    HB3  LYS  42           1HB      LYS  42   4.480  -5.057  -4.331
  254    HG2  LYS  42           2HG      LYS  42   5.887  -6.919  -4.394
  255    HG3  LYS  42           1HG      LYS  42   4.383  -7.469  -5.137
  256    HD2  LYS  42           2HD      LYS  42   5.306  -7.346  -7.315
  257    HD3  LYS  42           1HD      LYS  42   6.702  -6.423  -6.749
  258    HE2  LYS  42           2HE      LYS  42   7.422  -8.388  -5.439
  259    HE3  LYS  42           1HE      LYS  42   6.067  -9.302  -6.101
  260    HZ1  LYS  42           3HZ      LYS  42   8.106  -9.749  -7.305
  261    HZ2  LYS  42           1HZ      LYS  42   8.285  -8.103  -7.675
  262    HZ3  LYS  42           2HZ      LYS  42   6.979  -8.979  -8.314
  263    H    ALA  43           H        ALA  43   2.284  -7.242  -6.987
  264    HA   ALA  43           HA       ALA  43  -0.040  -6.814  -5.328
  265    HB1  ALA  43           3HB      ALA  43  -0.866  -8.901  -6.297
  266    HB2  ALA  43           1HB      ALA  43   0.712  -9.203  -7.027
  267    HB3  ALA  43           2HB      ALA  43  -0.256  -7.827  -7.554
  268    H    LEU  44           H        LEU  44  -0.090  -7.340  -3.237
  269    HA   LEU  44           HA       LEU  44   2.027  -8.999  -2.155
  270    HG   LEU  44           HG       LEU  44   2.073  -6.350   0.328
  271    HB2  LEU  44           2HB      LEU  44   0.125  -7.015  -1.045
  272    HB3  LEU  44           1HB      LEU  44   0.679  -8.281   0.033
  273   HD11  LEU  44          1HD1      LEU  44   3.184  -8.519   0.452
  274   HD12  LEU  44          2HD1      LEU  44   4.273  -7.282  -0.177
  275   HD13  LEU  44          3HD1      LEU  44   3.532  -8.444  -1.276
  276   HD21  LEU  44          3HD2      LEU  44   2.618  -6.508  -2.627
  277   HD22  LEU  44          1HD2      LEU  44   3.399  -5.411  -1.486
  278   HD23  LEU  44          2HD2      LEU  44   1.670  -5.271  -1.803
  279    H    ASP  45           H        ASP  45   1.723 -10.691  -0.732
  280    HA   ASP  45           HA       ASP  45  -0.935 -11.968  -0.751
  281    HB2  ASP  45           2HB      ASP  45   0.602 -13.412  -1.899
  282    HB3  ASP  45           1HB      ASP  45   1.834 -13.183  -0.666
  283    H    SER  46           H        SER  46  -1.432 -13.154   1.316
  284    HA   SER  46           HA       SER  46  -1.263 -11.488   3.506
  285    HG   SER  46           HG       SER  46  -3.531 -14.282   2.915
  286    HB2  SER  46           2HB      SER  46  -1.555 -14.495   3.638
  287    HB3  SER  46           1HB      SER  46  -2.147 -13.315   4.809
  288    H    THR  47           H        THR  47   0.970 -14.022   2.509
  289    HA   THR  47           HA       THR  47   2.408 -13.793   5.051
  290    HB   THR  47           HB       THR  47   3.668 -15.791   4.281
  291    HG1  THR  47           HG1      THR  47   1.866 -15.617   2.060
  292   HG21  THR  47          3HG2      THR  47   0.665 -16.091   4.181
  293   HG22  THR  47          1HG2      THR  47   1.641 -16.031   5.647
  294   HG23  THR  47          2HG2      THR  47   1.824 -17.376   4.519
  295    H    THR  48           H        THR  48   2.535 -12.070   2.315
  296    HA   THR  48           HA       THR  48   5.483 -11.936   2.377
  297    HB   THR  48           HB       THR  48   5.347 -11.183  -0.036
  298    HG1  THR  48           HG1      THR  48   3.085 -12.537  -0.585
  299   HG21  THR  48          3HG2      THR  48   6.132 -13.406   0.578
  300   HG22  THR  48          1HG2      THR  48   5.183 -13.475  -0.907
  301   HG23  THR  48          2HG2      THR  48   4.470 -13.994   0.622
  302    H    VAL  49           H        VAL  49   2.730 -10.260   3.100
  303    HA   VAL  49           HA       VAL  49   3.590  -7.679   2.144
  304    HB   VAL  49           HB       VAL  49   1.275  -7.798   2.181
  305   HG11  VAL  49          1HG1      VAL  49   1.038  -9.818   3.527
  306   HG12  VAL  49          2HG1      VAL  49  -0.054  -8.561   4.111
  307   HG13  VAL  49          3HG1      VAL  49   1.436  -8.911   4.986
  308   HG21  VAL  49          3HG2      VAL  49   2.006  -5.703   3.120
  309   HG22  VAL  49          1HG2      VAL  49   2.065  -6.407   4.735
  310   HG23  VAL  49          2HG2      VAL  49   0.517  -6.216   3.912
  311    H    ALA  50           H        ALA  50   4.828  -6.270   3.137
  312    HA   ALA  50           HA       ALA  50   5.640  -6.811   5.898
  313    HB1  ALA  50           3HB      ALA  50   6.802  -4.855   3.914
  314    HB2  ALA  50           1HB      ALA  50   7.402  -6.493   4.190
  315    HB3  ALA  50           2HB      ALA  50   7.480  -5.296   5.481
  316    H    ALA  51           H        ALA  51   4.318  -5.900   7.328
  317    HA   ALA  51           HA       ALA  51   3.341  -3.180   6.772
  318    HB1  ALA  51           3HB      ALA  51   2.168  -5.228   8.645
  319    HB2  ALA  51           1HB      ALA  51   1.586  -4.894   7.014
  320    HB3  ALA  51           2HB      ALA  51   1.493  -3.646   8.257
  321    H    HIS  52           H        HIS  52   4.750  -1.841   7.653
  322    HA   HIS  52           HA       HIS  52   5.690  -2.330  10.387
  323    HD1  HIS  52           HD1      HIS  52   8.913  -2.082  10.573
  324    HD2  HIS  52           HD2      HIS  52   6.957   1.594  10.675
  325    HE1  HIS  52           HE1      HIS  52  10.061  -0.746  12.370
  326    HE2  HIS  52           HE2      HIS  52   8.900   1.494  12.386
  327    HB2  HIS  52           2HB      HIS  52   7.344  -1.700   8.595
  328    HB3  HIS  52           1HB      HIS  52   6.536  -0.141   8.470
  329    H    GLU  53           H        GLU  53   4.098  -1.748  11.744
  330    HA   GLU  53           HA       GLU  53   2.518  -0.531  12.806
  331    HB2  GLU  53           2HB      GLU  53   3.917   1.805  11.491
  332    HB3  GLU  53           1HB      GLU  53   2.666   1.957  12.717
  333    HG2  GLU  53           2HG      GLU  53   5.344   0.632  13.071
  334    HG3  GLU  53           1HG      GLU  53   4.877   2.222  13.678
  335    H    SER  54           H        SER  54   2.243   2.075  10.639
  336    HA   SER  54           HA       SER  54  -0.280   0.946   9.670
  337    HG   SER  54           HG       SER  54   1.010   4.668   9.673
  338    HB2  SER  54           2HB      SER  54  -0.619   3.479   9.083
  339    HB3  SER  54           1HB      SER  54  -0.785   2.934  10.753
  340    H    GLU  55           H        GLU  55   2.603   0.714   8.569
  341    HA   GLU  55           HA       GLU  55   1.993   1.674   5.853
  342    HB2  GLU  55           2HB      GLU  55   4.662   1.481   7.241
  343    HB3  GLU  55           1HB      GLU  55   4.472   1.812   5.524
  344    HG2  GLU  55           2HG      GLU  55   3.121   3.810   6.130
  345    HG3  GLU  55           1HG      GLU  55   3.524   3.506   7.820
  346    H    ILE  56           H        ILE  56   1.256  -0.052   4.840
  347    HA   ILE  56           HA       ILE  56   2.699  -2.602   5.006
  348    HB   ILE  56           HB       ILE  56   0.590  -3.381   5.087
  349   HG12  ILE  56          2HG1      ILE  56   0.562  -2.578   2.169
  350   HG13  ILE  56          1HG1      ILE  56   1.210  -4.075   2.826
  351   HG21  ILE  56          1HG2      ILE  56  -0.306  -1.161   5.538
  352   HG22  ILE  56          2HG2      ILE  56  -1.410  -2.117   4.551
  353   HG23  ILE  56          3HG2      ILE  56  -0.431  -0.856   3.804
  354   HD11  ILE  56          3HD1      ILE  56  -0.978  -4.389   1.786
  355   HD12  ILE  56          1HD1      ILE  56  -1.678  -3.229   2.918
  356   HD13  ILE  56          2HD1      ILE  56  -1.019  -4.753   3.512
  357    H    TYR  57           H        TYR  57   4.054  -3.206   3.423
  358    HA   TYR  57           HA       TYR  57   3.595  -2.296   0.691
  359    HD1  TYR  57           HD2      TYR  57   4.136   0.245  -0.092
  360    HD2  TYR  57           HD1      TYR  57   6.018  -0.258   3.675
  361    HE1  TYR  57           HE2      TYR  57   3.439   2.517   0.542
  362    HE2  TYR  57           HE1      TYR  57   5.338   2.005   4.331
  363    HH   TYR  57           HH       TYR  57   4.666   4.092   3.353
  364    HB2  TYR  57           2HB      TYR  57   6.277  -1.886   2.050
  365    HB3  TYR  57           1HB      TYR  57   5.905  -1.535   0.367
  366    H    CYS  58           H        CYS  58   5.282  -3.306  -0.805
  367    HA   CYS  58           HA       CYS  58   5.527  -6.105  -0.279
  368    HB2  CYS  58           2HB      CYS  58   6.497  -6.260  -2.444
  369    HB3  CYS  58           1HB      CYS  58   5.287  -4.990  -2.572
  370    H    LYS  59           H        LYS  59   7.714  -7.196  -0.418
  371    HA   LYS  59           HA       LYS  59   9.408  -6.036   1.584
  372    HB2  LYS  59           2HB      LYS  59   9.684  -8.566  -0.038
  373    HB3  LYS  59           1HB      LYS  59  10.789  -8.095   1.248
  374    HG2  LYS  59           2HG      LYS  59   8.825  -8.053   2.799
  375    HG3  LYS  59           1HG      LYS  59   7.861  -8.745   1.496
  376    HD2  LYS  59           2HD      LYS  59  10.332  -9.991   2.686
  377    HD3  LYS  59           1HD      LYS  59   8.674 -10.439   3.087
  378    HE2  LYS  59           2HE      LYS  59   8.333 -10.987   0.667
  379    HE3  LYS  59           1HE      LYS  59  10.060 -10.725   0.423
  380    HZ1  LYS  59           3HZ      LYS  59  10.500 -12.474   2.056
  381    HZ2  LYS  59           1HZ      LYS  59   9.590 -13.061   0.749
  382    HZ3  LYS  59           2HZ      LYS  59   8.834 -12.740   2.231
  383    H    VAL  60           H        VAL  60   9.171  -5.552  -1.679
  384    HA   VAL  60           HA       VAL  60  11.969  -5.140  -2.241
  385    HB   VAL  60           HB       VAL  60   9.526  -4.228  -3.777
  386   HG11  VAL  60          1HG1      VAL  60  11.454  -2.860  -4.309
  387   HG12  VAL  60          2HG1      VAL  60  11.076  -3.932  -5.658
  388   HG13  VAL  60          3HG1      VAL  60  12.428  -4.303  -4.588
  389   HG21  VAL  60          3HG2      VAL  60   9.659  -6.654  -3.625
  390   HG22  VAL  60          1HG2      VAL  60  11.325  -6.612  -4.198
  391   HG23  VAL  60          2HG2      VAL  60  10.014  -6.114  -5.266
  392    H    CYS  61           H        CYS  61   9.128  -3.033  -1.770
  393    HA   CYS  61           HA       CYS  61  10.694  -0.653  -1.620
  394    HB2  CYS  61           2HB      CYS  61   7.864  -1.167  -0.718
  395    HB3  CYS  61           1HB      CYS  61   8.622   0.420  -0.821
  396    H    TYR  62           H        TYR  62   9.447  -2.938   0.741
  397    HA   TYR  62           HA       TYR  62  10.181  -1.433   3.035
  398    HD1  TYR  62           HD2      TYR  62   7.978  -2.124   4.826
  399    HD2  TYR  62           HD1      TYR  62  11.364  -4.696   4.985
  400    HE1  TYR  62           HE2      TYR  62   7.986  -1.952   7.274
  401    HE2  TYR  62           HE1      TYR  62  11.375  -4.533   7.440
  402    HH   TYR  62           HH       TYR  62  10.606  -3.083   9.192
  403    HB2  TYR  62           2HB      TYR  62   8.639  -3.498   2.891
  404    HB3  TYR  62           1HB      TYR  62  10.122  -4.443   2.939
  405    H    GLY  63           H        GLY  63  11.835  -3.878   1.082
  406    HA2  GLY  63           2HA      GLY  63  14.233  -3.812   2.672
  407    HA3  GLY  63           1HA      GLY  63  14.031  -4.607   1.116
  408    H    ARG  64           H        ARG  64  12.913  -1.752   0.374
  409    HA   ARG  64           HA       ARG  64  15.447  -0.705  -0.568
  410    HE   ARG  64           HE       ARG  64  13.909   0.521  -4.668
  411    HB2  ARG  64           2HB      ARG  64  13.512  -0.736  -2.071
  412    HB3  ARG  64           1HB      ARG  64  12.607   0.264  -0.949
  413    HG2  ARG  64           2HG      ARG  64  14.205   2.090  -1.301
  414    HG3  ARG  64           1HG      ARG  64  15.079   1.084  -2.459
  415    HD2  ARG  64           2HD      ARG  64  12.185   1.890  -2.703
  416    HD3  ARG  64           1HD      ARG  64  13.523   2.686  -3.529
  417   HH11  ARG  64          1HH1      ARG  64  10.777   1.150  -3.250
  418   HH12  ARG  64          2HH1      ARG  64   9.919   0.112  -4.336
  419   HH21  ARG  64          1HH2      ARG  64  12.781  -0.832  -6.143
  420   HH22  ARG  64          2HH2      ARG  64  11.051  -0.999  -6.001
  421    H    ARG  65           H        ARG  65  12.832   0.190   1.628
  422    HA   ARG  65           HA       ARG  65  14.069   2.684   2.376
  423    HE   ARG  65           HE       ARG  65  10.861   4.225   4.126
  424    HB2  ARG  65           2HB      ARG  65  11.738   1.175   3.569
  425    HB3  ARG  65           1HB      ARG  65  12.246   2.784   4.063
  426    HG2  ARG  65           2HG      ARG  65  11.768   3.620   1.812
  427    HG3  ARG  65           1HG      ARG  65  11.238   2.005   1.334
  428    HD2  ARG  65           2HD      ARG  65   9.347   3.464   1.911
  429    HD3  ARG  65           1HD      ARG  65   9.461   2.066   2.980
  430   HH11  ARG  65          1HH1      ARG  65   7.573   3.211   3.454
  431   HH12  ARG  65          2HH1      ARG  65   6.886   4.122   4.769
  432   HH21  ARG  65          1HH2      ARG  65   9.973   5.421   5.818
  433   HH22  ARG  65          2HH2      ARG  65   8.257   5.416   6.092
  434    H    TYR  66           H        TYR  66  13.995  -0.593   3.550
  435    HA   TYR  66           HA       TYR  66  15.637   0.202   5.866
  436    HD1  TYR  66           HD2      TYR  66  11.922  -0.588   5.062
  437    HD2  TYR  66           HD1      TYR  66  14.134  -0.522   8.694
  438    HE1  TYR  66           HE2      TYR  66  10.111   0.685   6.136
  439    HE2  TYR  66           HE1      TYR  66  12.330   0.747   9.776
  440    HH   TYR  66           HH       TYR  66  10.470   2.032   9.355
  441    HB2  TYR  66           2HB      TYR  66  13.821  -2.200   5.541
  442    HB3  TYR  66           1HB      TYR  66  14.851  -1.900   6.935
  Start of MODEL    3
    1    H1   GLY   7           1H       GLY   7 -18.898   3.592   7.621
    2    HA2  GLY   7           2HA      GLY   7 -17.914   1.043   7.052
    3    HA3  GLY   7           1HA      GLY   7 -18.117   1.875   5.517
    4    H    ALA   8           H        ALA   8 -15.675   1.286   5.779
    5    HA   ALA   8           HA       ALA   8 -14.263   3.500   7.110
    6    HB1  ALA   8           3HB      ALA   8 -12.247   2.118   6.845
    7    HB2  ALA   8           1HB      ALA   8 -13.208   0.881   6.033
    8    HB3  ALA   8           2HB      ALA   8 -13.511   1.263   7.730
    9    H    LYS   9           H        LYS   9 -12.007   3.810   5.664
   10    HA   LYS   9           HA       LYS   9 -12.941   4.252   2.913
   11    HB2  LYS   9           2HB      LYS   9 -11.859   6.367   2.777
   12    HB3  LYS   9           1HB      LYS   9 -12.801   6.400   4.263
   13    HG2  LYS   9           2HG      LYS   9 -10.844   6.085   5.596
   14    HG3  LYS   9           1HG      LYS   9  -9.857   5.782   4.165
   15    HD2  LYS   9           2HD      LYS   9 -11.248   8.376   4.832
   16    HD3  LYS   9           1HD      LYS   9  -9.528   8.051   5.036
   17    HE2  LYS   9           2HE      LYS   9 -10.985   7.927   2.396
   18    HE3  LYS   9           1HE      LYS   9 -10.094   9.333   2.975
   19    HZ1  LYS   9           3HZ      LYS   9  -8.995   6.659   2.277
   20    HZ2  LYS   9           1HZ      LYS   9  -8.103   7.845   3.105
   21    HZ3  LYS   9           2HZ      LYS   9  -8.667   8.151   1.535
   22    H    CYS  10           H        CYS  10 -11.479   3.865   1.335
   23    HA   CYS  10           HA       CYS  10  -9.415   2.023   1.894
   24    HB2  CYS  10           2HB      CYS  10 -10.647   2.202  -0.252
   25    HB3  CYS  10           1HB      CYS  10  -9.812   3.712  -0.573
   26    H    GLY  11           H        GLY  11  -7.299   2.278   2.229
   27    HA2  GLY  11           2HA      GLY  11  -6.142   4.900   2.504
   28    HA3  GLY  11           1HA      GLY  11  -5.306   3.366   2.704
   29    H    ALA  12           H        ALA  12  -6.762   2.989  -0.160
   30    HA   ALA  12           HA       ALA  12  -4.507   4.166  -1.654
   31    HB1  ALA  12           3HB      ALA  12  -6.194   1.763  -2.367
   32    HB2  ALA  12           1HB      ALA  12  -4.544   1.727  -1.743
   33    HB3  ALA  12           2HB      ALA  12  -4.870   2.419  -3.333
   34    H    CYS  13           H        CYS  13  -7.977   3.560  -1.680
   35    HA   CYS  13           HA       CYS  13  -8.357   5.527  -3.825
   36    HB2  CYS  13           2HB      CYS  13 -10.461   3.904  -2.376
   37    HB3  CYS  13           1HB      CYS  13 -10.670   4.817  -3.860
   38    H    GLU  14           H        GLU  14  -9.957   7.243  -3.466
   39    HA   GLU  14           HA       GLU  14 -10.351   7.935  -0.645
   40    HB2  GLU  14           2HB      GLU  14 -10.660   9.472  -3.215
   41    HB3  GLU  14           1HB      GLU  14 -11.450  10.013  -1.748
   42    HG2  GLU  14           2HG      GLU  14  -8.517   9.576  -2.076
   43    HG3  GLU  14           1HG      GLU  14  -9.326  11.138  -2.073
   44    H    LYS  15           H        LYS  15 -11.532   5.773  -2.372
   45    HA   LYS  15           HA       LYS  15 -14.372   6.309  -2.309
   46    HB2  LYS  15           2HB      LYS  15 -12.984   3.654  -2.722
   47    HB3  LYS  15           1HB      LYS  15 -14.640   4.063  -3.146
   48    HG2  LYS  15           2HG      LYS  15 -13.764   5.646  -4.834
   49    HG3  LYS  15           1HG      LYS  15 -12.130   5.093  -4.452
   50    HD2  LYS  15           2HD      LYS  15 -12.953   2.750  -4.953
   51    HD3  LYS  15           1HD      LYS  15 -14.401   3.501  -5.622
   52    HE2  LYS  15           2HE      LYS  15 -12.932   3.067  -7.435
   53    HE3  LYS  15           1HE      LYS  15 -12.910   4.806  -7.152
   54    HZ1  LYS  15           3HZ      LYS  15 -10.794   4.706  -6.218
   55    HZ2  LYS  15           1HZ      LYS  15 -10.696   3.630  -7.524
   56    HZ3  LYS  15           2HZ      LYS  15 -10.869   3.037  -5.941
   57    H    THR  16           H        THR  16 -15.677   4.443  -1.266
   58    HA   THR  16           HA       THR  16 -14.829   4.226   1.518
   59    HB   THR  16           HB       THR  16 -17.454   3.425   0.357
   60    HG1  THR  16           HG1      THR  16 -17.803   5.468  -0.051
   61   HG21  THR  16          3HG2      THR  16 -16.645   4.350   3.109
   62   HG22  THR  16          1HG2      THR  16 -17.047   2.696   2.640
   63   HG23  THR  16          2HG2      THR  16 -18.289   3.949   2.616
   64    H    VAL  17           H        VAL  17 -14.529   2.270   2.531
   65    HA   VAL  17           HA       VAL  17 -14.734  -0.128   0.832
   66    HB   VAL  17           HB       VAL  17 -12.874   0.478   3.132
   67   HG11  VAL  17          1HG1      VAL  17 -12.059  -1.818   2.945
   68   HG12  VAL  17          2HG1      VAL  17 -13.329  -2.179   1.774
   69   HG13  VAL  17          3HG1      VAL  17 -13.750  -1.784   3.442
   70   HG21  VAL  17          3HG2      VAL  17 -12.160   1.257   0.949
   71   HG22  VAL  17          1HG2      VAL  17 -12.428  -0.349   0.272
   72   HG23  VAL  17          2HG2      VAL  17 -11.159  -0.099   1.473
   73    H    TYR  18           H        TYR  18 -16.329  -1.428   1.306
   74    HA   TYR  18           HA       TYR  18 -17.583  -1.255   3.952
   75    HD1  TYR  18           HD2      TYR  18 -18.192  -0.614  -0.049
   76    HD2  TYR  18           HD1      TYR  18 -20.425  -0.155   3.539
   77    HE1  TYR  18           HE2      TYR  18 -18.990   1.576  -0.831
   78    HE2  TYR  18           HE1      TYR  18 -21.231   2.031   2.774
   79    HH   TYR  18           HH       TYR  18 -20.606   3.781   1.241
   80    HB2  TYR  18           2HB      TYR  18 -18.647  -2.519   1.411
   81    HB3  TYR  18           1HB      TYR  18 -19.533  -2.308   2.918
   82    H    HIS  19           H        HIS  19 -18.620  -3.484   4.585
   83    HA   HIS  19           HA       HIS  19 -16.595  -5.281   5.191
   84    HD1  HIS  19           HD1      HIS  19 -20.027  -7.882   4.113
   85    HD2  HIS  19           HD2      HIS  19 -20.889  -3.960   5.210
   86    HE1  HIS  19           HE1      HIS  19 -22.360  -7.432   3.275
   87    HE2  HIS  19           HE2      HIS  19 -22.772  -4.996   3.774
   88    HB2  HIS  19           2HB      HIS  19 -18.365  -6.887   5.798
   89    HB3  HIS  19           1HB      HIS  19 -18.693  -5.276   6.417
   90    H    ALA  20           H        ALA  20 -18.453  -5.019   2.295
   91    HA   ALA  20           HA       ALA  20 -18.220  -7.573   1.207
   92    HB1  ALA  20           3HB      ALA  20 -18.158  -4.939  -0.258
   93    HB2  ALA  20           1HB      ALA  20 -19.618  -5.771   0.282
   94    HB3  ALA  20           2HB      ALA  20 -18.584  -6.511  -0.941
   95    H    GLU  21           H        GLU  21 -15.975  -4.845   1.140
   96    HA   GLU  21           HA       GLU  21 -13.991  -6.570  -0.181
   97    HB2  GLU  21           2HB      GLU  21 -13.252  -4.525  -1.440
   98    HB3  GLU  21           1HB      GLU  21 -14.830  -5.147  -1.897
   99    HG2  GLU  21           2HG      GLU  21 -15.409  -3.284   0.062
  100    HG3  GLU  21           1HG      GLU  21 -14.087  -2.553  -0.826
  101    H    GLU  22           H        GLU  22 -14.175  -6.191   2.551
  102    HA   GLU  22           HA       GLU  22 -12.255  -4.098   3.262
  103    HB2  GLU  22           2HB      GLU  22 -14.356  -4.129   4.499
  104    HB3  GLU  22           1HB      GLU  22 -14.076  -5.797   4.975
  105    HG2  GLU  22           2HG      GLU  22 -11.932  -4.913   6.071
  106    HG3  GLU  22           1HG      GLU  22 -12.668  -3.319   5.888
  107    H    ILE  23           H        ILE  23 -10.183  -4.686   3.373
  108    HA   ILE  23           HA       ILE  23  -9.569  -7.210   4.765
  109    HB   ILE  23           HB       ILE  23  -8.062  -5.731   2.641
  110   HG12  ILE  23          2HG1      ILE  23  -8.345  -8.676   3.252
  111   HG13  ILE  23          1HG1      ILE  23  -9.404  -7.784   2.158
  112   HG21  ILE  23          1HG2      ILE  23  -5.981  -6.884   3.252
  113   HG22  ILE  23          2HG2      ILE  23  -6.750  -7.476   4.724
  114   HG23  ILE  23          3HG2      ILE  23  -6.492  -5.746   4.499
  115   HD11  ILE  23          3HD1      ILE  23  -7.775  -8.997   0.887
  116   HD12  ILE  23          1HD1      ILE  23  -6.456  -8.306   1.831
  117   HD13  ILE  23          2HD1      ILE  23  -7.409  -7.275   0.765
  118    H    GLN  24           H        GLN  24  -8.908  -6.998   6.788
  119    HA   GLN  24           HA       GLN  24  -8.091  -4.377   7.755
  120    HB2  GLN  24           2HB      GLN  24  -8.556  -6.982   9.223
  121    HB3  GLN  24           1HB      GLN  24  -8.178  -5.442   9.982
  122    HG2  GLN  24           2HG      GLN  24 -10.590  -5.844   8.245
  123    HG3  GLN  24           1HG      GLN  24 -10.600  -6.143   9.982
  124   HE21  GLN  24          1HE2      GLN  24 -12.150  -4.525  10.261
  125   HE22  GLN  24          2HE2      GLN  24 -11.734  -2.851  10.198
  126    H    CYS  25           H        CYS  25  -6.025  -3.935   7.259
  127    HA   CYS  25           HA       CYS  25  -4.012  -6.034   7.603
  128    HG   CYS  25           HG       CYS  25  -1.611  -5.113   4.907
  129    HB2  CYS  25           2HB      CYS  25  -4.074  -4.705   5.472
  130    HB3  CYS  25           1HB      CYS  25  -3.665  -3.275   6.407
  131    H    ASN  26           H        ASN  26  -3.561  -6.174   9.692
  132    HA   ASN  26           HA       ASN  26  -2.755  -5.720  11.743
  133    HB2  ASN  26           2HB      ASN  26  -0.902  -4.620  10.515
  134    HB3  ASN  26           1HB      ASN  26  -1.788  -3.099  10.591
  135   HD21  ASN  26          1HD2      ASN  26  -0.184  -2.081  11.798
  136   HD22  ASN  26          2HD2      ASN  26   0.096  -2.471  13.463
  137    H    GLY  27           H        GLY  27  -3.615  -2.402  10.770
  138    HA2  GLY  27           2HA      GLY  27  -5.859  -2.486  12.650
  139    HA3  GLY  27           1HA      GLY  27  -4.594  -1.300  12.934
  140    H    ARG  28           H        ARG  28  -4.962  -1.865   9.641
  141    HA   ARG  28           HA       ARG  28  -6.788   0.433   9.410
  142    HE   ARG  28           HE       ARG  28  -6.242   2.791   7.952
  143    HB2  ARG  28           2HB      ARG  28  -4.327  -0.155   7.767
  144    HB3  ARG  28           1HB      ARG  28  -5.510   1.077   7.358
  145    HG2  ARG  28           2HG      ARG  28  -3.711   0.996   9.767
  146    HG3  ARG  28           1HG      ARG  28  -3.656   2.132   8.417
  147    HD2  ARG  28           2HD      ARG  28  -5.794   1.883  10.524
  148    HD3  ARG  28           1HD      ARG  28  -4.686   3.231  10.276
  149   HH11  ARG  28          1HH1      ARG  28  -6.425   4.121  11.183
  150   HH12  ARG  28          2HH1      ARG  28  -7.758   5.177  10.815
  151   HH21  ARG  28          1HH2      ARG  28  -7.996   4.165   7.451
  152   HH22  ARG  28          2HH2      ARG  28  -8.633   5.229   8.678
  153    H    SER  29           H        SER  29  -8.413   0.274   7.978
  154    HA   SER  29           HA       SER  29  -8.850  -2.280   6.690
  155    HG   SER  29           HG       SER  29 -10.325  -1.807   8.610
  156    HB2  SER  29           2HB      SER  29 -10.624   0.164   6.594
  157    HB3  SER  29           1HB      SER  29 -11.090  -1.521   6.355
  158    H    PHE  30           H        PHE  30  -8.531  -2.684   4.586
  159    HA   PHE  30           HA       PHE  30  -8.343  -0.413   2.711
  160    HD1  PHE  30           HD2      PHE  30  -5.972   0.785   2.161
  161    HD2  PHE  30           HD1      PHE  30  -5.210  -2.551   4.688
  162    HE1  PHE  30           HE2      PHE  30  -4.335   2.121   3.419
  163    HE2  PHE  30           HE1      PHE  30  -3.569  -1.224   5.953
  164    HZ   PHE  30           HZ       PHE  30  -3.129   1.115   5.319
  165    HB2  PHE  30           2HB      PHE  30  -6.516  -2.827   2.782
  166    HB3  PHE  30           1HB      PHE  30  -6.525  -1.610   1.513
  167    H    HIS  31           H        HIS  31  -8.589  -1.145   0.410
  168    HA   HIS  31           HA       HIS  31 -10.774  -2.922   0.034
  169    HD2  HIS  31           HD2      HIS  31 -12.651  -2.725  -1.978
  170    HE1  HIS  31           HE1      HIS  31 -12.515   1.440  -2.685
  171    HE2  HIS  31           HE2      HIS  31 -14.027  -0.580  -2.473
  172    HB2  HIS  31           2HB      HIS  31  -8.937  -1.384  -1.714
  173    HB3  HIS  31           1HB      HIS  31  -9.646  -2.827  -2.431
  174    H    LYS  32           H        LYS  32 -10.803  -5.030  -0.678
  175    HA   LYS  32           HA       LYS  32  -8.582  -6.719  -0.306
  176    HB2  LYS  32           2HB      LYS  32 -11.025  -7.385  -0.350
  177    HB3  LYS  32           1HB      LYS  32 -10.954  -7.247  -2.101
  178    HG2  LYS  32           2HG      LYS  32  -9.391  -9.034  -2.257
  179    HG3  LYS  32           1HG      LYS  32  -9.174  -9.068  -0.506
  180    HD2  LYS  32           2HD      LYS  32 -11.560  -9.692  -0.266
  181    HD3  LYS  32           1HD      LYS  32 -11.686  -9.762  -2.026
  182    HE2  LYS  32           2HE      LYS  32 -10.057 -11.538  -2.111
  183    HE3  LYS  32           1HE      LYS  32  -9.781 -11.413  -0.374
  184    HZ1  LYS  32           3HZ      LYS  32 -12.070 -12.093   0.001
  185    HZ2  LYS  32           1HZ      LYS  32 -11.235 -13.259  -0.901
  186    HZ3  LYS  32           2HZ      LYS  32 -12.331 -12.220  -1.667
  187    H    THR  33           H        THR  33  -9.693  -4.801  -2.960
  188    HA   THR  33           HA       THR  33  -7.953  -5.998  -4.918
  189    HB   THR  33           HB       THR  33  -8.719  -4.024  -6.310
  190    HG1  THR  33           HG1      THR  33  -9.455  -2.474  -5.018
  191   HG21  THR  33          3HG2      THR  33 -10.820  -5.813  -5.079
  192   HG22  THR  33          1HG2      THR  33  -9.826  -6.182  -6.488
  193   HG23  THR  33          2HG2      THR  33 -11.022  -4.887  -6.566
  194    H    CYS  34           H        CYS  34  -7.754  -3.490  -2.564
  195    HA   CYS  34           HA       CYS  34  -5.394  -2.330  -3.877
  196    HB2  CYS  34           2HB      CYS  34  -7.061  -1.152  -1.642
  197    HB3  CYS  34           1HB      CYS  34  -5.789  -0.341  -2.556
  198    H    PHE  35           H        PHE  35  -5.430  -4.809  -2.359
  199    HA   PHE  35           HA       PHE  35  -4.121  -4.190   0.152
  200    HD1  PHE  35           HD2      PHE  35  -4.441  -5.266   2.209
  201    HD2  PHE  35           HD1      PHE  35  -3.446  -8.578  -0.270
  202    HE1  PHE  35           HE2      PHE  35  -3.317  -6.347   4.111
  203    HE2  PHE  35           HE1      PHE  35  -2.314  -9.662   1.626
  204    HZ   PHE  35           HZ       PHE  35  -2.249  -8.530   3.819
  205    HB2  PHE  35           2HB      PHE  35  -5.747  -6.055  -0.048
  206    HB3  PHE  35           1HB      PHE  35  -4.651  -6.864  -1.162
  207    H    HIS  36           H        HIS  36  -3.061  -3.939  -2.824
  208    HA   HIS  36           HA       HIS  36  -0.600  -5.460  -2.524
  209    HD1  HIS  36           HD1      HIS  36  -3.638  -4.711  -5.701
  210    HD2  HIS  36           HD2      HIS  36  -0.685  -1.848  -5.101
  211    HE1  HIS  36           HE1      HIS  36  -4.517  -2.605  -6.746
  212    HE2  HIS  36           HE2      HIS  36  -2.832  -0.832  -6.154
  213    HB2  HIS  36           2HB      HIS  36  -0.130  -4.718  -4.861
  214    HB3  HIS  36           1HB      HIS  36  -1.603  -5.661  -4.681
  215    H    CYS  37           H        CYS  37   1.386  -4.155  -3.545
  216    HA   CYS  37           HA       CYS  37   2.218  -2.593  -1.404
  217    HB2  CYS  37           2HB      CYS  37   3.678  -3.847  -3.026
  218    HB3  CYS  37           1HB      CYS  37   3.427  -2.535  -4.171
  219    H    MET  38           H        MET  38   2.037  -0.564  -0.871
  220    HA   MET  38           HA       MET  38   0.570   1.289  -2.472
  221    HB2  MET  38           2HB      MET  38   2.088   1.697   0.108
  222    HB3  MET  38           1HB      MET  38   1.000   2.871  -0.623
  223    HG2  MET  38           2HG      MET  38   0.254   0.134   0.379
  224    HG3  MET  38           1HG      MET  38  -0.106   1.670   1.169
  225    HE1  MET  38           3HE      MET  38  -2.669   0.817   1.293
  226    HE2  MET  38           1HE      MET  38  -2.227  -0.655   0.428
  227    HE3  MET  38           2HE      MET  38  -3.589   0.319  -0.127
  228    H    ALA  39           H        ALA  39   3.805   0.362  -2.455
  229    HA   ALA  39           HA       ALA  39   4.742   3.017  -3.263
  230    HB1  ALA  39           3HB      ALA  39   6.986   2.157  -2.985
  231    HB2  ALA  39           1HB      ALA  39   6.353   0.542  -2.676
  232    HB3  ALA  39           2HB      ALA  39   6.027   1.851  -1.538
  233    H    CYS  40           H        CYS  40   5.318  -0.338  -4.402
  234    HA   CYS  40           HA       CYS  40   5.888   0.796  -7.046
  235    HB2  CYS  40           2HB      CYS  40   7.037  -1.290  -7.529
  236    HB3  CYS  40           1HB      CYS  40   7.617  -0.636  -6.000
  237    H    ARG  41           H        ARG  41   3.368  -0.584  -5.436
  238    HA   ARG  41           HA       ARG  41   1.345  -1.368  -6.065
  239    HE   ARG  41           HE       ARG  41  -1.106   2.243  -7.168
  240    HB2  ARG  41           2HB      ARG  41   2.332  -0.128  -8.484
  241    HB3  ARG  41           1HB      ARG  41   1.316  -1.517  -8.850
  242    HG2  ARG  41           2HG      ARG  41   0.116   0.672  -8.715
  243    HG3  ARG  41           1HG      ARG  41  -0.520  -0.598  -7.669
  244    HD2  ARG  41           2HD      ARG  41   0.683   0.363  -5.768
  245    HD3  ARG  41           1HD      ARG  41   1.327   1.628  -6.816
  246   HH11  ARG  41          1HH1      ARG  41  -0.001   0.685  -4.225
  247   HH12  ARG  41          2HH1      ARG  41  -1.196   1.454  -3.225
  248   HH21  ARG  41          1HH2      ARG  41  -2.663   3.245  -5.864
  249   HH22  ARG  41          2HH2      ARG  41  -2.694   2.935  -4.152
  250    H    LYS  42           H        LYS  42   3.984  -3.004  -6.133
  251    HA   LYS  42           HA       LYS  42   3.501  -5.358  -7.567
  252    HB2  LYS  42           2HB      LYS  42   5.599  -4.939  -6.372
  253    HB3  LYS  42           1HB      LYS  42   4.752  -4.968  -4.833
  254    HG2  LYS  42           2HG      LYS  42   5.956  -7.031  -5.187
  255    HG3  LYS  42           1HG      LYS  42   4.217  -7.327  -5.178
  256    HD2  LYS  42           2HD      LYS  42   4.192  -7.403  -7.603
  257    HD3  LYS  42           1HD      LYS  42   5.917  -7.031  -7.648
  258    HE2  LYS  42           2HE      LYS  42   6.428  -9.108  -6.522
  259    HE3  LYS  42           1HE      LYS  42   4.710  -9.469  -6.350
  260    HZ1  LYS  42           3HZ      LYS  42   4.510  -9.618  -8.729
  261    HZ2  LYS  42           1HZ      LYS  42   5.745 -10.659  -8.209
  262    HZ3  LYS  42           2HZ      LYS  42   6.134  -9.176  -8.939
  263    H    ALA  43           H        ALA  43   2.072  -7.017  -7.280
  264    HA   ALA  43           HA       ALA  43  -0.140  -6.611  -5.542
  265    HB1  ALA  43           3HB      ALA  43  -0.918  -8.786  -6.370
  266    HB2  ALA  43           1HB      ALA  43   0.656  -9.061  -7.118
  267    HB3  ALA  43           2HB      ALA  43  -0.375  -7.750  -7.690
  268    H    LEU  44           H        LEU  44  -0.491  -7.371  -3.503
  269    HA   LEU  44           HA       LEU  44   1.660  -9.012  -2.334
  270    HG   LEU  44           HG       LEU  44   2.159  -6.460   0.176
  271    HB2  LEU  44           2HB      LEU  44   0.155  -6.686  -1.325
  272    HB3  LEU  44           1HB      LEU  44   0.399  -7.978  -0.167
  273   HD11  LEU  44          1HD1      LEU  44   3.206  -8.688  -1.560
  274   HD12  LEU  44          2HD1      LEU  44   2.870  -8.780   0.170
  275   HD13  LEU  44          3HD1      LEU  44   4.158  -7.730  -0.426
  276   HD21  LEU  44          3HD2      LEU  44   2.652  -6.524  -2.798
  277   HD22  LEU  44          1HD2      LEU  44   3.628  -5.657  -1.608
  278   HD23  LEU  44          2HD2      LEU  44   1.950  -5.188  -1.885
  279    H    ASP  45           H        ASP  45   1.198 -10.688  -0.989
  280    HA   ASP  45           HA       ASP  45  -1.637 -11.432  -0.692
  281    HB2  ASP  45           2HB      ASP  45  -0.429 -13.095  -2.020
  282    HB3  ASP  45           1HB      ASP  45   0.818 -13.210  -0.783
  283    H    SER  46           H        SER  46  -2.108 -12.531   1.427
  284    HA   SER  46           HA       SER  46  -1.289 -11.020   3.605
  285    HG   SER  46           HG       SER  46  -3.834 -12.783   2.609
  286    HB2  SER  46           2HB      SER  46  -2.278 -13.878   3.664
  287    HB3  SER  46           1HB      SER  46  -2.338 -12.725   4.997
  288    H    THR  47           H        THR  47   0.217 -13.793   2.158
  289    HA   THR  47           HA       THR  47   1.892 -14.439   4.393
  290    HB   THR  47           HB       THR  47   2.441 -15.246   1.548
  291    HG1  THR  47           HG1      THR  47   0.288 -15.732   1.732
  292   HG21  THR  47          3HG2      THR  47   2.759 -16.655   4.198
  293   HG22  THR  47          1HG2      THR  47   4.050 -15.920   3.251
  294   HG23  THR  47          2HG2      THR  47   3.186 -17.322   2.622
  295    H    THR  48           H        THR  48   2.123 -12.202   1.727
  296    HA   THR  48           HA       THR  48   5.050 -12.128   2.017
  297    HB   THR  48           HB       THR  48   4.985 -11.065  -0.290
  298    HG1  THR  48           HG1      THR  48   3.079 -11.438  -1.487
  299   HG21  THR  48          3HG2      THR  48   5.670 -13.380   0.073
  300   HG22  THR  48          1HG2      THR  48   4.746 -13.230  -1.421
  301   HG23  THR  48          2HG2      THR  48   3.986 -13.898   0.024
  302    H    VAL  49           H        VAL  49   2.224 -10.193   2.431
  303    HA   VAL  49           HA       VAL  49   3.377  -7.675   1.849
  304    HB   VAL  49           HB       VAL  49   1.031  -7.714   1.828
  305   HG11  VAL  49          1HG1      VAL  49   1.122  -8.719   4.674
  306   HG12  VAL  49          2HG1      VAL  49   0.666  -9.660   3.253
  307   HG13  VAL  49          3HG1      VAL  49  -0.343  -8.312   3.780
  308   HG21  VAL  49          3HG2      VAL  49   0.371  -5.999   3.419
  309   HG22  VAL  49          1HG2      VAL  49   1.957  -5.647   2.735
  310   HG23  VAL  49          2HG2      VAL  49   1.825  -6.302   4.367
  311    H    ALA  50           H        ALA  50   4.524  -6.274   2.985
  312    HA   ALA  50           HA       ALA  50   5.173  -6.935   5.772
  313    HB1  ALA  50           3HB      ALA  50   7.086  -6.705   4.231
  314    HB2  ALA  50           1HB      ALA  50   7.110  -5.487   5.508
  315    HB3  ALA  50           2HB      ALA  50   6.586  -5.048   3.883
  316    H    ALA  51           H        ALA  51   3.721  -5.975   7.058
  317    HA   ALA  51           HA       ALA  51   2.823  -3.272   6.486
  318    HB1  ALA  51           3HB      ALA  51   1.263  -3.619   8.330
  319    HB2  ALA  51           1HB      ALA  51   2.011  -5.176   8.682
  320    HB3  ALA  51           2HB      ALA  51   1.157  -4.932   7.158
  321    H    HIS  52           H        HIS  52   3.629  -1.539   7.454
  322    HA   HIS  52           HA       HIS  52   5.356  -1.940   9.807
  323    HD1  HIS  52           HD1      HIS  52   8.437  -1.090   9.653
  324    HD2  HIS  52           HD2      HIS  52   5.953   2.249   9.681
  325    HE1  HIS  52           HE1      HIS  52   9.527   0.559  11.215
  326    HE2  HIS  52           HE2      HIS  52   7.854   2.435  11.417
  327    HB2  HIS  52           2HB      HIS  52   6.616  -1.141   7.841
  328    HB3  HIS  52           1HB      HIS  52   5.543   0.251   7.719
  329    H    GLU  53           H        GLU  53   3.832  -1.660  11.361
  330    HA   GLU  53           HA       GLU  53   2.562  -0.562  12.869
  331    HB2  GLU  53           2HB      GLU  53   3.704   1.938  11.612
  332    HB3  GLU  53           1HB      GLU  53   2.933   1.827  13.190
  333    HG2  GLU  53           2HG      GLU  53   4.699   0.284  13.924
  334    HG3  GLU  53           1HG      GLU  53   5.489   0.470  12.360
  335    H    SER  54           H        SER  54   2.230   1.932  10.339
  336    HA   SER  54           HA       SER  54  -0.592   1.127  10.112
  337    HG   SER  54           HG       SER  54   1.540   3.797   9.998
  338    HB2  SER  54           2HB      SER  54  -1.131   3.582   9.838
  339    HB3  SER  54           1HB      SER  54  -0.620   3.103  11.455
  340    H    GLU  55           H        GLU  55   1.766   0.521   8.491
  341    HA   GLU  55           HA       GLU  55   0.791   1.569   5.922
  342    HB2  GLU  55           2HB      GLU  55   3.676   1.336   6.784
  343    HB3  GLU  55           1HB      GLU  55   3.153   1.669   5.140
  344    HG2  GLU  55           2HG      GLU  55   2.252   3.771   5.761
  345    HG3  GLU  55           1HG      GLU  55   2.442   3.410   7.479
  346    H    ILE  56           H        ILE  56   1.490   0.225   4.074
  347    HA   ILE  56           HA       ILE  56   2.320  -2.490   4.693
  348    HB   ILE  56           HB       ILE  56   0.204  -3.242   4.687
  349   HG12  ILE  56          2HG1      ILE  56   0.408  -2.604   1.738
  350   HG13  ILE  56          1HG1      ILE  56   0.964  -4.078   2.528
  351   HG21  ILE  56          1HG2      ILE  56  -1.742  -1.993   3.891
  352   HG22  ILE  56          2HG2      ILE  56  -0.668  -0.761   3.226
  353   HG23  ILE  56          3HG2      ILE  56  -0.728  -1.034   4.968
  354   HD11  ILE  56          3HD1      ILE  56  -1.340  -4.639   3.101
  355   HD12  ILE  56          1HD1      ILE  56  -1.137  -4.433   1.360
  356   HD13  ILE  56          2HD1      ILE  56  -1.896  -3.160   2.316
  357    H    TYR  57           H        TYR  57   3.736  -3.184   3.238
  358    HA   TYR  57           HA       TYR  57   3.580  -2.274   0.471
  359    HD1  TYR  57           HD1      TYR  57   5.320  -0.608   3.837
  360    HD2  TYR  57           HD2      TYR  57   4.934   0.458  -0.261
  361    HE1  TYR  57           HE1      TYR  57   4.847   1.705   4.493
  362    HE2  TYR  57           HE2      TYR  57   4.455   2.782   0.385
  363    HH   TYR  57           HH       TYR  57   4.719   3.863   3.736
  364    HB2  TYR  57           2HB      TYR  57   6.147  -2.059   2.070
  365    HB3  TYR  57           1HB      TYR  57   5.935  -1.637   0.378
  366    H    CYS  58           H        CYS  58   5.330  -3.425  -0.849
  367    HA   CYS  58           HA       CYS  58   5.449  -6.206  -0.140
  368    HB2  CYS  58           2HB      CYS  58   6.501  -6.535  -2.235
  369    HB3  CYS  58           1HB      CYS  58   5.363  -5.222  -2.510
  370    H    LYS  59           H        LYS  59   7.580  -7.337  -0.015
  371    HA   LYS  59           HA       LYS  59   9.139  -6.101   2.026
  372    HB2  LYS  59           2HB      LYS  59   9.499  -8.709   0.552
  373    HB3  LYS  59           1HB      LYS  59  10.479  -8.203   1.923
  374    HG2  LYS  59           2HG      LYS  59   8.494  -8.149   3.336
  375    HG3  LYS  59           1HG      LYS  59   7.494  -8.623   1.964
  376    HD2  LYS  59           2HD      LYS  59   9.739 -10.262   3.134
  377    HD3  LYS  59           1HD      LYS  59   8.022 -10.517   3.449
  378    HE2  LYS  59           2HE      LYS  59   7.659 -10.921   1.053
  379    HE3  LYS  59           1HE      LYS  59   9.383 -10.696   0.761
  380    HZ1  LYS  59           3HZ      LYS  59   9.806 -12.591   2.245
  381    HZ2  LYS  59           1HZ      LYS  59   8.878 -13.027   0.890
  382    HZ3  LYS  59           2HZ      LYS  59   8.134 -12.834   2.402
  383    H    VAL  60           H        VAL  60   9.231  -5.835  -1.291
  384    HA   VAL  60           HA       VAL  60  12.086  -5.571  -1.582
  385    HB   VAL  60           HB       VAL  60   9.875  -4.714  -3.462
  386   HG11  VAL  60          1HG1      VAL  60  11.620  -4.665  -5.168
  387   HG12  VAL  60          2HG1      VAL  60  12.832  -5.064  -3.950
  388   HG13  VAL  60          3HG1      VAL  60  11.970  -3.526  -3.870
  389   HG21  VAL  60          3HG2      VAL  60  10.407  -6.761  -4.693
  390   HG22  VAL  60          1HG2      VAL  60   9.849  -7.117  -3.058
  391   HG23  VAL  60          2HG2      VAL  60  11.567  -7.213  -3.445
  392    H    CYS  61           H        CYS  61   9.305  -3.330  -1.668
  393    HA   CYS  61           HA       CYS  61  10.913  -0.992  -1.604
  394    HB2  CYS  61           2HB      CYS  61   8.017  -1.358  -0.827
  395    HB3  CYS  61           1HB      CYS  61   8.817   0.193  -1.059
  396    H    TYR  62           H        TYR  62   9.479  -3.011   0.885
  397    HA   TYR  62           HA       TYR  62  10.035  -1.320   3.077
  398    HD1  TYR  62           HD1      TYR  62  11.381  -4.141   5.325
  399    HD2  TYR  62           HD2      TYR  62   7.633  -2.186   4.822
  400    HE1  TYR  62           HE1      TYR  62  11.246  -3.785   7.752
  401    HE2  TYR  62           HE2      TYR  62   7.493  -1.827   7.247
  402    HH   TYR  62           HH       TYR  62  10.186  -2.414   9.357
  403    HB2  TYR  62           2HB      TYR  62   8.599  -3.465   3.019
  404    HB3  TYR  62           1HB      TYR  62  10.120  -4.331   3.225
  405    H    GLY  63           H        GLY  63  11.931  -3.722   1.343
  406    HA2  GLY  63           2HA      GLY  63  14.216  -3.522   3.062
  407    HA3  GLY  63           1HA      GLY  63  14.159  -4.296   1.486
  408    H    ARG  64           H        ARG  64  13.039  -1.697   0.380
  409    HA   ARG  64           HA       ARG  64  15.587  -0.500  -0.233
  410    HE   ARG  64           HE       ARG  64  14.192  -2.154  -4.622
  411    HB2  ARG  64           2HB      ARG  64  12.770   0.169  -1.101
  412    HB3  ARG  64           1HB      ARG  64  14.190   1.047  -1.651
  413    HG2  ARG  64           2HG      ARG  64  15.073  -0.966  -2.667
  414    HG3  ARG  64           1HG      ARG  64  13.694  -1.890  -2.067
  415    HD2  ARG  64           2HD      ARG  64  12.183  -0.545  -3.412
  416    HD3  ARG  64           1HD      ARG  64  13.534   0.438  -3.976
  417   HH11  ARG  64          1HH1      ARG  64  11.528   0.008  -5.359
  418   HH12  ARG  64          2HH1      ARG  64  11.273  -0.652  -6.943
  419   HH21  ARG  64          1HH2      ARG  64  13.834  -3.031  -6.704
  420   HH22  ARG  64          2HH2      ARG  64  12.578  -2.366  -7.711
  421    H    ARG  65           H        ARG  65  12.568   0.609   1.269
  422    HA   ARG  65           HA       ARG  65  13.512   3.177   1.946
  423    HE   ARG  65           HE       ARG  65  10.355   5.082   5.542
  424    HB2  ARG  65           2HB      ARG  65  11.137   2.691   1.856
  425    HB3  ARG  65           1HB      ARG  65  11.290   1.515   3.153
  426    HG2  ARG  65           2HG      ARG  65  11.864   3.284   4.718
  427    HG3  ARG  65           1HG      ARG  65  11.777   4.478   3.421
  428    HD2  ARG  65           2HD      ARG  65   9.430   4.076   3.127
  429    HD3  ARG  65           1HD      ARG  65   9.475   2.721   4.253
  430   HH11  ARG  65          1HH1      ARG  65   7.454   3.552   4.333
  431   HH12  ARG  65          2HH1      ARG  65   6.392   4.338   5.461
  432   HH21  ARG  65          1HH2      ARG  65   8.982   6.127   7.035
  433   HH22  ARG  65          2HH2      ARG  65   7.273   5.811   7.010
  434    H    TYR  66           H        TYR  66  13.301   0.180   3.847
  435    HA   TYR  66           HA       TYR  66  14.816   1.487   5.993
  436    HD1  TYR  66           HD1      TYR  66  13.338   1.748   8.339
  437    HD2  TYR  66           HD2      TYR  66  11.086  -0.412   5.445
  438    HE1  TYR  66           HE1      TYR  66  11.329   3.018   8.964
  439    HE2  TYR  66           HE2      TYR  66   9.071   0.854   6.062
  440    HH   TYR  66           HH       TYR  66   9.179   3.659   7.970
  441    HB2  TYR  66           2HB      TYR  66  13.273  -1.113   5.980
  442    HB3  TYR  66           1HB      TYR  66  14.126  -0.453   7.371
  Start of MODEL    4
    1    H1   GLY   7           1H       GLY   7 -20.237   0.393   7.527
    2    HA2  GLY   7           2HA      GLY   7 -19.261   0.962   4.829
    3    HA3  GLY   7           1HA      GLY   7 -20.434   1.910   5.733
    4    H    ALA   8           H        ALA   8 -17.030   1.058   5.526
    5    HA   ALA   8           HA       ALA   8 -16.349   3.464   7.085
    6    HB1  ALA   8           3HB      ALA   8 -15.475   1.359   7.980
    7    HB2  ALA   8           1HB      ALA   8 -14.166   2.405   7.431
    8    HB3  ALA   8           2HB      ALA   8 -14.672   1.034   6.443
    9    H    LYS   9           H        LYS   9 -13.826   3.984   6.269
   10    HA   LYS   9           HA       LYS   9 -14.028   4.279   3.347
   11    HB2  LYS   9           2HB      LYS   9 -12.785   6.368   3.495
   12    HB3  LYS   9           1HB      LYS   9 -14.252   6.472   4.456
   13    HG2  LYS   9           2HG      LYS   9 -13.055   6.305   6.485
   14    HG3  LYS   9           1HG      LYS   9 -11.579   5.807   5.655
   15    HD2  LYS   9           2HD      LYS   9 -12.900   8.502   5.358
   16    HD3  LYS   9           1HD      LYS   9 -11.515   8.164   6.398
   17    HE2  LYS   9           2HE      LYS   9 -10.181   7.536   4.474
   18    HE3  LYS   9           1HE      LYS   9 -11.568   7.750   3.406
   19    HZ1  LYS   9           3HZ      LYS   9 -11.577  10.086   3.876
   20    HZ2  LYS   9           1HZ      LYS   9 -10.018   9.644   3.374
   21    HZ3  LYS   9           2HZ      LYS   9 -10.343   9.925   5.019
   22    H    CYS  10           H        CYS  10 -12.249   3.724   2.182
   23    HA   CYS  10           HA       CYS  10 -10.504   1.850   3.135
   24    HB2  CYS  10           2HB      CYS  10 -11.064   2.372   0.750
   25    HB3  CYS  10           1HB      CYS  10  -9.987   3.759   0.858
   26    H    GLY  11           H        GLY  11  -8.690   1.880   4.241
   27    HA2  GLY  11           2HA      GLY  11  -7.454   4.347   5.076
   28    HA3  GLY  11           1HA      GLY  11  -6.891   2.720   5.438
   29    H    ALA  12           H        ALA  12  -7.561   3.696   2.188
   30    HA   ALA  12           HA       ALA  12  -4.807   4.429   1.628
   31    HB1  ALA  12           3HB      ALA  12  -4.573   2.832  -0.196
   32    HB2  ALA  12           1HB      ALA  12  -6.157   2.149   0.179
   33    HB3  ALA  12           2HB      ALA  12  -4.831   1.990   1.331
   34    H    CYS  13           H        CYS  13  -7.820   3.504  -0.031
   35    HA   CYS  13           HA       CYS  13  -7.620   5.750  -1.850
   36    HB2  CYS  13           2HB      CYS  13 -10.045   3.996  -1.469
   37    HB3  CYS  13           1HB      CYS  13  -9.559   4.881  -2.905
   38    H    GLU  14           H        GLU  14  -9.299   7.394  -1.991
   39    HA   GLU  14           HA       GLU  14 -10.611   7.995   0.536
   40    HB2  GLU  14           2HB      GLU  14 -10.333   9.482  -2.068
   41    HB3  GLU  14           1HB      GLU  14 -11.495   9.982  -0.857
   42    HG2  GLU  14           2HG      GLU  14  -8.556   9.734  -0.411
   43    HG3  GLU  14           1HG      GLU  14  -9.416  11.237  -0.712
   44    H    LYS  15           H        LYS  15 -11.238   5.660  -1.099
   45    HA   LYS  15           HA       LYS  15 -13.997   6.162  -1.934
   46    HB2  LYS  15           2HB      LYS  15 -12.386   3.622  -2.239
   47    HB3  LYS  15           1HB      LYS  15 -13.905   4.012  -3.027
   48    HG2  LYS  15           2HG      LYS  15 -11.228   5.295  -3.535
   49    HG3  LYS  15           1HG      LYS  15 -12.091   4.189  -4.601
   50    HD2  LYS  15           2HD      LYS  15 -13.952   5.908  -4.652
   51    HD3  LYS  15           1HD      LYS  15 -12.827   7.012  -3.860
   52    HE2  LYS  15           2HE      LYS  15 -12.445   5.668  -6.532
   53    HE3  LYS  15           1HE      LYS  15 -12.808   7.369  -6.261
   54    HZ1  LYS  15           3HZ      LYS  15 -10.454   6.952  -6.727
   55    HZ2  LYS  15           1HZ      LYS  15 -10.335   5.999  -5.333
   56    HZ3  LYS  15           2HZ      LYS  15 -10.681   7.658  -5.207
   57    H    THR  16           H        THR  16 -15.675   4.795  -1.156
   58    HA   THR  16           HA       THR  16 -15.470   4.266   1.647
   59    HB   THR  16           HB       THR  16 -17.718   3.586  -0.216
   60    HG1  THR  16           HG1      THR  16 -17.758   5.890   1.381
   61   HG21  THR  16          3HG2      THR  16 -17.707   4.115   2.749
   62   HG22  THR  16          1HG2      THR  16 -17.856   2.528   1.996
   63   HG23  THR  16          2HG2      THR  16 -19.123   3.732   1.769
   64    H    VAL  17           H        VAL  17 -15.063   2.382   2.652
   65    HA   VAL  17           HA       VAL  17 -14.726  -0.024   1.022
   66    HB   VAL  17           HB       VAL  17 -13.913   0.626   3.862
   67   HG11  VAL  17          1HG1      VAL  17 -13.034  -1.642   4.063
   68   HG12  VAL  17          2HG1      VAL  17 -13.697  -2.051   2.480
   69   HG13  VAL  17          3HG1      VAL  17 -14.782  -1.677   3.820
   70   HG21  VAL  17          3HG2      VAL  17 -12.436   1.400   2.086
   71   HG22  VAL  17          1HG2      VAL  17 -12.365  -0.233   1.423
   72   HG23  VAL  17          2HG2      VAL  17 -11.677   0.106   3.014
   73    H    TYR  18           H        TYR  18 -15.983  -1.800   1.211
   74    HA   TYR  18           HA       TYR  18 -18.182  -1.664   3.168
   75    HD1  TYR  18           HD1      TYR  18 -20.744  -0.810   2.378
   76    HD2  TYR  18           HD2      TYR  18 -18.066  -0.675  -0.924
   77    HE1  TYR  18           HE1      TYR  18 -21.658   1.376   1.734
   78    HE2  TYR  18           HE2      TYR  18 -18.971   1.515  -1.576
   79    HH   TYR  18           HH       TYR  18 -21.046   2.829  -1.267
   80    HB2  TYR  18           2HB      TYR  18 -18.300  -2.668   0.311
   81    HB3  TYR  18           1HB      TYR  18 -19.590  -2.864   1.490
   82    H    HIS  19           H        HIS  19 -19.159  -3.893   3.497
   83    HA   HIS  19           HA       HIS  19 -17.216  -5.819   4.157
   84    HD1  HIS  19           HD1      HIS  19 -20.555  -8.339   2.782
   85    HD2  HIS  19           HD2      HIS  19 -21.538  -4.416   3.755
   86    HE1  HIS  19           HE1      HIS  19 -22.778  -7.903   1.686
   87    HE2  HIS  19           HE2      HIS  19 -23.457  -5.615   2.496
   88    HB2  HIS  19           2HB      HIS  19 -19.062  -7.345   4.578
   89    HB3  HIS  19           1HB      HIS  19 -19.463  -5.749   5.193
   90    H    ALA  20           H        ALA  20 -18.410  -4.890   1.196
   91    HA   ALA  20           HA       ALA  20 -18.399  -7.226  -0.332
   92    HB1  ALA  20           3HB      ALA  20 -18.095  -5.750  -2.243
   93    HB2  ALA  20           1HB      ALA  20 -17.640  -4.430  -1.167
   94    HB3  ALA  20           2HB      ALA  20 -19.278  -5.083  -1.119
   95    H    GLU  21           H        GLU  21 -15.707  -4.944   0.377
   96    HA   GLU  21           HA       GLU  21 -13.869  -7.080  -0.321
   97    HB2  GLU  21           2HB      GLU  21 -12.611  -5.842  -1.914
   98    HB3  GLU  21           1HB      GLU  21 -14.279  -5.865  -2.437
   99    HG2  GLU  21           2HG      GLU  21 -14.474  -3.496  -1.563
  100    HG3  GLU  21           1HG      GLU  21 -12.740  -3.565  -1.255
  101    H    GLU  22           H        GLU  22 -14.188  -6.342   2.204
  102    HA   GLU  22           HA       GLU  22 -12.224  -4.294   2.864
  103    HB2  GLU  22           2HB      GLU  22 -14.218  -4.248   4.200
  104    HB3  GLU  22           1HB      GLU  22 -14.062  -5.958   4.586
  105    HG2  GLU  22           2HG      GLU  22 -11.962  -5.457   5.786
  106    HG3  GLU  22           1HG      GLU  22 -12.222  -3.745   5.470
  107    H    ILE  23           H        ILE  23 -10.174  -4.705   3.321
  108    HA   ILE  23           HA       ILE  23  -9.538  -7.238   4.700
  109    HB   ILE  23           HB       ILE  23  -7.812  -5.753   2.702
  110   HG12  ILE  23          2HG1      ILE  23  -8.608  -8.657   2.700
  111   HG13  ILE  23          1HG1      ILE  23  -9.559  -7.423   1.874
  112   HG21  ILE  23          1HG2      ILE  23  -6.081  -7.432   3.197
  113   HG22  ILE  23          2HG2      ILE  23  -7.088  -8.062   4.502
  114   HG23  ILE  23          3HG2      ILE  23  -6.450  -6.419   4.594
  115   HD11  ILE  23          3HD1      ILE  23  -6.687  -8.142   1.314
  116   HD12  ILE  23          1HD1      ILE  23  -7.613  -6.891   0.484
  117   HD13  ILE  23          2HD1      ILE  23  -8.087  -8.582   0.333
  118    H    GLN  24           H        GLN  24  -8.978  -6.790   6.753
  119    HA   GLN  24           HA       GLN  24  -8.022  -4.090   7.353
  120    HB2  GLN  24           2HB      GLN  24  -9.177  -6.267   9.085
  121    HB3  GLN  24           1HB      GLN  24  -8.385  -4.850   9.765
  122    HG2  GLN  24           2HG      GLN  24 -10.000  -3.409   8.603
  123    HG3  GLN  24           1HG      GLN  24 -10.811  -4.848   7.983
  124   HE21  GLN  24          1HE2      GLN  24 -12.741  -4.223   9.017
  125   HE22  GLN  24          2HE2      GLN  24 -12.936  -4.419  10.728
  126    H    CYS  25           H        CYS  25  -5.926  -3.918   7.112
  127    HA   CYS  25           HA       CYS  25  -4.192  -6.091   8.045
  128    HG   CYS  25           HG       CYS  25  -1.307  -5.700   5.540
  129    HB2  CYS  25           2HB      CYS  25  -3.856  -5.360   5.718
  130    HB3  CYS  25           1HB      CYS  25  -3.554  -3.720   6.276
  131    H    ASN  26           H        ASN  26  -3.728  -5.848  10.110
  132    HA   ASN  26           HA       ASN  26  -2.758  -5.063  11.996
  133    HB2  ASN  26           2HB      ASN  26  -0.959  -4.248  10.512
  134    HB3  ASN  26           1HB      ASN  26  -1.824  -2.727  10.316
  135   HD21  ASN  26          1HD2      ASN  26  -0.089  -1.572  11.160
  136   HD22  ASN  26          2HD2      ASN  26   0.280  -1.563  12.851
  137    H    GLY  27           H        GLY  27  -3.788  -2.036  10.407
  138    HA2  GLY  27           2HA      GLY  27  -5.932  -1.742  12.345
  139    HA3  GLY  27           1HA      GLY  27  -4.630  -0.571  12.489
  140    H    ARG  28           H        ARG  28  -5.158  -1.626   9.294
  141    HA   ARG  28           HA       ARG  28  -6.823   0.744   8.746
  142    HE   ARG  28           HE       ARG  28  -4.100   2.602   5.703
  143    HB2  ARG  28           2HB      ARG  28  -4.482  -0.244   7.103
  144    HB3  ARG  28           1HB      ARG  28  -5.553   1.074   6.653
  145    HG2  ARG  28           2HG      ARG  28  -4.796   2.404   8.489
  146    HG3  ARG  28           1HG      ARG  28  -3.859   1.058   9.136
  147    HD2  ARG  28           2HD      ARG  28  -2.316   2.471   8.048
  148    HD3  ARG  28           1HD      ARG  28  -2.550   1.089   6.986
  149   HH11  ARG  28          1HH1      ARG  28  -1.520   3.891   7.688
  150   HH12  ARG  28          2HH1      ARG  28  -1.303   5.311   6.705
  151   HH21  ARG  28          1HH2      ARG  28  -3.808   4.477   4.410
  152   HH22  ARG  28          2HH2      ARG  28  -2.600   5.642   4.857
  153    H    SER  29           H        SER  29  -8.492   0.439   7.363
  154    HA   SER  29           HA       SER  29  -8.916  -2.284   6.393
  155    HG   SER  29           HG       SER  29 -12.160  -2.195   6.611
  156    HB2  SER  29           2HB      SER  29 -10.692  -1.211   7.759
  157    HB3  SER  29           1HB      SER  29 -10.861   0.038   6.529
  158    H    PHE  30           H        PHE  30  -8.324  -2.698   4.402
  159    HA   PHE  30           HA       PHE  30  -8.292  -0.532   2.398
  160    HD1  PHE  30           HD2      PHE  30  -5.535   0.236   1.700
  161    HD2  PHE  30           HD1      PHE  30  -5.613  -2.976   4.489
  162    HE1  PHE  30           HE2      PHE  30  -3.722   1.300   2.975
  163    HE2  PHE  30           HE1      PHE  30  -3.804  -1.912   5.773
  164    HZ   PHE  30           HZ       PHE  30  -2.789   0.202   4.944
  165    HB2  PHE  30           2HB      PHE  30  -6.763  -3.150   2.426
  166    HB3  PHE  30           1HB      PHE  30  -6.643  -1.905   1.194
  167    H    HIS  31           H        HIS  31  -8.883  -1.157   0.192
  168    HA   HIS  31           HA       HIS  31 -10.970  -3.163   0.039
  169    HD2  HIS  31           HD2      HIS  31 -13.217  -1.628  -0.597
  170    HE1  HIS  31           HE1      HIS  31 -12.010   2.298  -1.527
  171    HE2  HIS  31           HE2      HIS  31 -13.946   0.854  -0.794
  172    HB2  HIS  31           2HB      HIS  31  -9.602  -1.621  -2.183
  173    HB3  HIS  31           1HB      HIS  31 -11.020  -2.642  -2.375
  174    H    LYS  32           H        LYS  32 -10.850  -5.014  -1.432
  175    HA   LYS  32           HA       LYS  32  -8.392  -6.427  -1.336
  176    HB2  LYS  32           2HB      LYS  32 -10.831  -6.939  -3.051
  177    HB3  LYS  32           1HB      LYS  32  -9.493  -8.058  -2.838
  178    HG2  LYS  32           2HG      LYS  32 -10.029  -8.009  -0.367
  179    HG3  LYS  32           1HG      LYS  32 -11.510  -7.169  -0.801
  180    HD2  LYS  32           2HD      LYS  32 -10.668  -9.876  -1.824
  181    HD3  LYS  32           1HD      LYS  32 -11.856  -9.587  -0.551
  182    HE2  LYS  32           2HE      LYS  32 -13.189  -8.289  -2.164
  183    HE3  LYS  32           1HE      LYS  32 -12.041  -8.719  -3.429
  184    HZ1  LYS  32           3HZ      LYS  32 -12.559 -11.088  -2.941
  185    HZ2  LYS  32           1HZ      LYS  32 -13.879 -10.215  -3.550
  186    HZ3  LYS  32           2HZ      LYS  32 -13.793 -10.571  -1.896
  187    H    THR  33           H        THR  33  -9.789  -4.216  -3.591
  188    HA   THR  33           HA       THR  33  -8.237  -4.912  -5.863
  189    HB   THR  33           HB       THR  33  -9.455  -2.213  -5.256
  190    HG1  THR  33           HG1      THR  33 -11.100  -3.733  -5.051
  191   HG21  THR  33          3HG2      THR  33  -7.953  -2.258  -7.189
  192   HG22  THR  33          1HG2      THR  33  -9.626  -2.041  -7.701
  193   HG23  THR  33          2HG2      THR  33  -8.849  -3.615  -7.866
  194    H    CYS  34           H        CYS  34  -7.805  -2.525  -3.264
  195    HA   CYS  34           HA       CYS  34  -5.438  -1.441  -4.560
  196    HB2  CYS  34           2HB      CYS  34  -5.579   0.086  -2.471
  197    HB3  CYS  34           1HB      CYS  34  -6.843   0.230  -3.696
  198    H    PHE  35           H        PHE  35  -6.127  -3.890  -2.358
  199    HA   PHE  35           HA       PHE  35  -4.035  -3.547  -0.476
  200    HD1  PHE  35           HD2      PHE  35  -4.845  -4.443   2.006
  201    HD2  PHE  35           HD1      PHE  35  -3.886  -7.742  -0.500
  202    HE1  PHE  35           HE2      PHE  35  -3.694  -5.532   3.887
  203    HE2  PHE  35           HE1      PHE  35  -2.733  -8.841   1.376
  204    HZ   PHE  35           HZ       PHE  35  -2.644  -7.736   3.572
  205    HB2  PHE  35           2HB      PHE  35  -6.090  -4.943  -0.133
  206    HB3  PHE  35           1HB      PHE  35  -5.414  -6.126  -1.242
  207    H    HIS  36           H        HIS  36  -2.309  -3.052  -1.971
  208    HA   HIS  36           HA       HIS  36  -0.586  -5.292  -2.207
  209    HD1  HIS  36           HD1      HIS  36  -3.664  -4.562  -5.225
  210    HD2  HIS  36           HD2      HIS  36  -0.195  -2.312  -5.640
  211    HE1  HIS  36           HE1      HIS  36  -4.271  -2.670  -6.746
  212    HE2  HIS  36           HE2      HIS  36  -2.108  -1.477  -7.178
  213    HB2  HIS  36           2HB      HIS  36  -0.078  -5.007  -4.645
  214    HB3  HIS  36           1HB      HIS  36  -1.648  -5.715  -4.302
  215    H    CYS  37           H        CYS  37   1.515  -4.360  -3.531
  216    HA   CYS  37           HA       CYS  37   2.550  -2.641  -1.596
  217    HB2  CYS  37           2HB      CYS  37   3.837  -4.242  -3.060
  218    HB3  CYS  37           1HB      CYS  37   3.722  -3.041  -4.343
  219    H    MET  38           H        MET  38   2.361  -0.601  -1.294
  220    HA   MET  38           HA       MET  38   1.188   1.193  -3.186
  221    HB2  MET  38           2HB      MET  38   2.492   1.720  -0.504
  222    HB3  MET  38           1HB      MET  38   1.537   2.882  -1.418
  223    HG2  MET  38           2HG      MET  38   0.476   0.240  -0.457
  224    HG3  MET  38           1HG      MET  38   0.326   1.742   0.450
  225    HE1  MET  38           3HE      MET  38  -2.349   1.190   0.475
  226    HE2  MET  38           1HE      MET  38  -2.067  -0.229  -0.531
  227    HE3  MET  38           2HE      MET  38  -3.287   0.953  -1.001
  228    H    ALA  39           H        ALA  39   4.320   0.051  -2.741
  229    HA   ALA  39           HA       ALA  39   5.609   2.554  -3.484
  230    HB1  ALA  39           3HB      ALA  39   7.705   1.413  -3.067
  231    HB2  ALA  39           1HB      ALA  39   6.849  -0.112  -2.842
  232    HB3  ALA  39           2HB      ALA  39   6.602   1.214  -1.704
  233    H    CYS  40           H        CYS  40   5.746  -0.827  -4.703
  234    HA   CYS  40           HA       CYS  40   6.498   0.308  -7.288
  235    HB2  CYS  40           2HB      CYS  40   7.059  -2.005  -7.971
  236    HB3  CYS  40           1HB      CYS  40   7.965  -1.483  -6.561
  237    H    ARG  41           H        ARG  41   4.828  -2.703  -6.899
  238    HA   ARG  41           HA       ARG  41   2.180  -1.901  -7.044
  239    HE   ARG  41           HE       ARG  41   1.448   0.570  -9.525
  240    HB2  ARG  41           2HB      ARG  41   3.044  -1.088  -9.349
  241    HB3  ARG  41           1HB      ARG  41   3.068  -2.792  -9.782
  242    HG2  ARG  41           2HG      ARG  41   1.019  -1.669 -10.516
  243    HG3  ARG  41           1HG      ARG  41   0.690  -2.967  -9.364
  244    HD2  ARG  41           2HD      ARG  41  -0.653  -0.997  -8.862
  245    HD3  ARG  41           1HD      ARG  41   0.497  -1.318  -7.566
  246   HH11  ARG  41          1HH1      ARG  41  -0.339   0.170  -6.544
  247   HH12  ARG  41          2HH1      ARG  41  -0.158   1.822  -6.044
  248   HH21  ARG  41          1HH2      ARG  41   1.739   2.730  -8.872
  249   HH22  ARG  41          2HH2      ARG  41   1.045   3.284  -7.377
  250    H    LYS  42           H        LYS  42   4.224  -3.933  -6.170
  251    HA   LYS  42           HA       LYS  42   3.645  -6.461  -7.255
  252    HB2  LYS  42           2HB      LYS  42   5.608  -5.907  -5.835
  253    HB3  LYS  42           1HB      LYS  42   4.532  -5.798  -4.448
  254    HG2  LYS  42           2HG      LYS  42   5.548  -7.916  -4.369
  255    HG3  LYS  42           1HG      LYS  42   3.888  -8.179  -4.880
  256    HD2  LYS  42           2HD      LYS  42   5.228  -9.572  -6.243
  257    HD3  LYS  42           1HD      LYS  42   4.756  -8.204  -7.251
  258    HE2  LYS  42           2HE      LYS  42   7.384  -8.318  -5.783
  259    HE3  LYS  42           1HE      LYS  42   7.177  -8.951  -7.413
  260    HZ1  LYS  42           3HZ      LYS  42   8.048  -6.706  -7.460
  261    HZ2  LYS  42           1HZ      LYS  42   6.722  -6.140  -6.574
  262    HZ3  LYS  42           2HZ      LYS  42   6.490  -6.740  -8.138
  263    H    ALA  43           H        ALA  43   1.895  -7.726  -7.045
  264    HA   ALA  43           HA       ALA  43  -0.300  -7.026  -5.372
  265    HB1  ALA  43           3HB      ALA  43  -0.618  -8.262  -7.458
  266    HB2  ALA  43           1HB      ALA  43  -1.260  -9.167  -6.085
  267    HB3  ALA  43           2HB      ALA  43   0.287  -9.626  -6.798
  268    H    LEU  44           H        LEU  44  -0.454  -7.367  -3.245
  269    HA   LEU  44           HA       LEU  44   1.539  -9.092  -1.989
  270    HG   LEU  44           HG       LEU  44   2.067  -6.335   0.285
  271    HB2  LEU  44           2HB      LEU  44   0.084  -6.671  -1.185
  272    HB3  LEU  44           1HB      LEU  44   0.263  -7.868   0.083
  273   HD11  LEU  44          1HD1      LEU  44   3.026  -8.855  -1.052
  274   HD12  LEU  44          2HD1      LEU  44   2.679  -8.640   0.663
  275   HD13  LEU  44          3HD1      LEU  44   4.023  -7.774  -0.081
  276   HD21  LEU  44          3HD2      LEU  44   3.660  -5.937  -1.552
  277   HD22  LEU  44          1HD2      LEU  44   2.039  -5.336  -1.893
  278   HD23  LEU  44          2HD2      LEU  44   2.595  -6.835  -2.635
  279    H    ASP  45           H        ASP  45   1.037 -10.523  -0.348
  280    HA   ASP  45           HA       ASP  45  -1.749 -11.473  -0.269
  281    HB2  ASP  45           2HB      ASP  45   0.719 -12.967   0.661
  282    HB3  ASP  45           1HB      ASP  45  -0.898 -13.617   0.426
  283    H    SER  46           H        SER  46  -2.384 -12.293   1.972
  284    HA   SER  46           HA       SER  46  -1.822 -10.338   3.952
  285    HG   SER  46           HG       SER  46  -4.789 -12.354   3.554
  286    HB2  SER  46           2HB      SER  46  -2.991 -13.108   4.345
  287    HB3  SER  46           1HB      SER  46  -3.133 -11.744   5.453
  288    H    THR  47           H        THR  47  -0.172 -13.113   2.918
  289    HA   THR  47           HA       THR  47   1.261 -13.548   5.405
  290    HB   THR  47           HB       THR  47   1.983 -14.867   2.816
  291    HG1  THR  47           HG1      THR  47  -0.142 -15.848   4.431
  292   HG21  THR  47          3HG2      THR  47   2.412 -16.774   4.278
  293   HG22  THR  47          1HG2      THR  47   1.800 -15.865   5.662
  294   HG23  THR  47          2HG2      THR  47   3.276 -15.348   4.850
  295    H    THR  48           H        THR  48   1.802 -12.042   2.254
  296    HA   THR  48           HA       THR  48   4.684 -12.022   2.731
  297    HB   THR  48           HB       THR  48   4.812 -11.227   0.339
  298    HG1  THR  48           HG1      THR  48   2.506 -12.103  -0.572
  299   HG21  THR  48          3HG2      THR  48   3.430 -13.864   0.855
  300   HG22  THR  48          1HG2      THR  48   5.167 -13.564   0.949
  301   HG23  THR  48          2HG2      THR  48   4.332 -13.439  -0.600
  302    H    VAL  49           H        VAL  49   2.083  -9.902   3.131
  303    HA   VAL  49           HA       VAL  49   3.236  -7.482   2.265
  304    HB   VAL  49           HB       VAL  49   0.963  -7.277   2.580
  305   HG11  VAL  49          1HG1      VAL  49   1.256  -8.486   5.341
  306   HG12  VAL  49          2HG1      VAL  49   0.626  -9.307   3.913
  307   HG13  VAL  49          3HG1      VAL  49  -0.254  -7.946   4.607
  308   HG21  VAL  49          3HG2      VAL  49   2.144  -6.109   5.098
  309   HG22  VAL  49          1HG2      VAL  49   0.598  -5.659   4.378
  310   HG23  VAL  49          2HG2      VAL  49   2.099  -5.342   3.510
  311    H    ALA  50           H        ALA  50   4.746  -6.239   3.051
  312    HA   ALA  50           HA       ALA  50   5.739  -6.699   5.765
  313    HB1  ALA  50           3HB      ALA  50   6.929  -5.048   3.533
  314    HB2  ALA  50           1HB      ALA  50   7.383  -6.709   3.923
  315    HB3  ALA  50           2HB      ALA  50   7.689  -5.415   5.082
  316    H    ALA  51           H        ALA  51   4.713  -5.512   7.239
  317    HA   ALA  51           HA       ALA  51   3.848  -2.802   6.489
  318    HB1  ALA  51           3HB      ALA  51   2.011  -4.298   7.066
  319    HB2  ALA  51           1HB      ALA  51   2.166  -2.992   8.244
  320    HB3  ALA  51           2HB      ALA  51   2.749  -4.609   8.638
  321    H    HIS  52           H        HIS  52   4.548  -1.103   7.593
  322    HA   HIS  52           HA       HIS  52   5.957  -1.546  10.142
  323    HD1  HIS  52           HD1      HIS  52   9.407  -1.078   9.840
  324    HD2  HIS  52           HD2      HIS  52   6.980   2.238  10.499
  325    HE1  HIS  52           HE1      HIS  52  10.593   0.301  11.581
  326    HE2  HIS  52           HE2      HIS  52   9.199   2.390  11.826
  327    HB2  HIS  52           2HB      HIS  52   7.506  -0.961   8.234
  328    HB3  HIS  52           1HB      HIS  52   6.671   0.580   8.103
  329    H    GLU  53           H        GLU  53   4.405  -0.960  11.506
  330    HA   GLU  53           HA       GLU  53   3.131   0.386  12.797
  331    HB2  GLU  53           2HB      GLU  53   5.004   2.052  12.333
  332    HB3  GLU  53           1HB      GLU  53   3.950   2.741  11.104
  333    HG2  GLU  53           2HG      GLU  53   3.769   4.000  13.146
  334    HG3  GLU  53           1HG      GLU  53   2.250   3.166  12.820
  335    H    SER  54           H        SER  54   2.816   2.042   9.643
  336    HA   SER  54           HA       SER  54   0.030   1.163   9.533
  337    HG   SER  54           HG       SER  54  -1.744   3.353  10.158
  338    HB2  SER  54           2HB      SER  54   0.263   3.399  10.773
  339    HB3  SER  54           1HB      SER  54   0.725   4.083   9.218
  340    H    GLU  55           H        GLU  55   2.803   1.151   8.040
  341    HA   GLU  55           HA       GLU  55   1.697   1.841   5.397
  342    HB2  GLU  55           2HB      GLU  55   4.555   2.111   6.340
  343    HB3  GLU  55           1HB      GLU  55   4.004   2.400   4.694
  344    HG2  GLU  55           2HG      GLU  55   2.568   4.209   5.485
  345    HG3  GLU  55           1HG      GLU  55   3.114   3.923   7.137
  346    H    ILE  56           H        ILE  56   1.712   0.299   3.892
  347    HA   ILE  56           HA       ILE  56   3.062  -2.230   4.561
  348    HB   ILE  56           HB       ILE  56   1.049  -3.180   4.632
  349   HG12  ILE  56          2HG1      ILE  56   0.860  -2.395   1.715
  350   HG13  ILE  56          1HG1      ILE  56   1.582  -3.869   2.358
  351   HG21  ILE  56          1HG2      ILE  56   0.029  -1.064   5.154
  352   HG22  ILE  56          2HG2      ILE  56  -1.044  -1.993   4.108
  353   HG23  ILE  56          3HG2      ILE  56  -0.096  -0.664   3.441
  354   HD11  ILE  56          3HD1      ILE  56  -0.624  -4.285   1.419
  355   HD12  ILE  56          1HD1      ILE  56  -1.326  -3.108   2.530
  356   HD13  ILE  56          2HD1      ILE  56  -0.605  -4.589   3.156
  357    H    TYR  57           H        TYR  57   4.321  -3.140   3.057
  358    HA   TYR  57           HA       TYR  57   4.002  -2.440   0.241
  359    HD1  TYR  57           HD2      TYR  57   4.810  -0.040  -0.712
  360    HD2  TYR  57           HD1      TYR  57   6.669  -0.431   3.089
  361    HE1  TYR  57           HE2      TYR  57   4.497   2.365  -0.319
  362    HE2  TYR  57           HE1      TYR  57   6.366   1.970   3.493
  363    HH   TYR  57           HH       TYR  57   6.114   4.076   1.948
  364    HB2  TYR  57           2HB      TYR  57   6.681  -2.226   1.643
  365    HB3  TYR  57           1HB      TYR  57   6.388  -1.987  -0.073
  366    H    CYS  58           H        CYS  58   5.598  -3.771  -1.112
  367    HA   CYS  58           HA       CYS  58   5.578  -6.498  -0.233
  368    HB2  CYS  58           2HB      CYS  58   6.521  -7.058  -2.332
  369    HB3  CYS  58           1HB      CYS  58   5.456  -5.702  -2.668
  370    H    LYS  59           H        LYS  59   7.701  -7.765  -0.241
  371    HA   LYS  59           HA       LYS  59   9.246  -6.724   1.882
  372    HB2  LYS  59           2HB      LYS  59   9.821  -9.121   0.129
  373    HB3  LYS  59           1HB      LYS  59  10.539  -8.792   1.701
  374    HG2  LYS  59           2HG      LYS  59   8.251  -8.885   2.686
  375    HG3  LYS  59           1HG      LYS  59   7.656  -9.407   1.114
  376    HD2  LYS  59           2HD      LYS  59   9.759 -10.858   2.717
  377    HD3  LYS  59           1HD      LYS  59   8.048 -11.269   2.715
  378    HE2  LYS  59           2HE      LYS  59   8.877 -12.756   1.173
  379    HE3  LYS  59           1HE      LYS  59   8.374 -11.423   0.132
  380    HZ1  LYS  59           3HZ      LYS  59  10.595 -12.301  -0.416
  381    HZ2  LYS  59           1HZ      LYS  59  11.148 -11.856   1.125
  382    HZ3  LYS  59           2HZ      LYS  59  10.653 -10.667   0.024
  383    H    VAL  60           H        VAL  60   9.547  -6.465  -1.523
  384    HA   VAL  60           HA       VAL  60  12.393  -6.114  -1.621
  385    HB   VAL  60           HB       VAL  60  10.330  -5.295  -3.674
  386   HG11  VAL  60          1HG1      VAL  60  12.199  -5.428  -5.255
  387   HG12  VAL  60          2HG1      VAL  60  13.293  -5.796  -3.922
  388   HG13  VAL  60          3HG1      VAL  60  12.492  -4.227  -3.998
  389   HG21  VAL  60          3HG2      VAL  60  11.873  -7.878  -3.422
  390   HG22  VAL  60          1HG2      VAL  60  10.817  -7.435  -4.764
  391   HG23  VAL  60          2HG2      VAL  60  10.142  -7.671  -3.152
  392    H    CYS  61           H        CYS  61   9.598  -3.911  -1.881
  393    HA   CYS  61           HA       CYS  61  11.213  -1.574  -1.959
  394    HB2  CYS  61           2HB      CYS  61   8.287  -1.856  -1.282
  395    HB3  CYS  61           1HB      CYS  61   9.115  -0.338  -1.611
  396    H    TYR  62           H        TYR  62   9.699  -3.377   0.657
  397    HA   TYR  62           HA       TYR  62  10.080  -1.504   2.707
  398    HD1  TYR  62           HD1      TYR  62  11.778  -4.040   5.037
  399    HD2  TYR  62           HD2      TYR  62   7.811  -2.551   4.684
  400    HE1  TYR  62           HE1      TYR  62  11.725  -3.626   7.462
  401    HE2  TYR  62           HE2      TYR  62   7.746  -2.135   7.103
  402    HH   TYR  62           HH       TYR  62  10.278  -1.892   9.013
  403    HB2  TYR  62           2HB      TYR  62   8.822  -3.708   2.856
  404    HB3  TYR  62           1HB      TYR  62  10.386  -4.496   3.028
  405    H    GLY  63           H        GLY  63  12.232  -3.953   1.345
  406    HA2  GLY  63           2HA      GLY  63  14.423  -3.411   3.075
  407    HA3  GLY  63           1HA      GLY  63  14.497  -4.262   1.541
  408    H    ARG  64           H        ARG  64  13.320  -1.988   0.072
  409    HA   ARG  64           HA       ARG  64  15.753  -0.578  -0.469
  410    HE   ARG  64           HE       ARG  64  12.330   2.553  -3.060
  411    HB2  ARG  64           2HB      ARG  64  14.102  -1.134  -2.232
  412    HB3  ARG  64           1HB      ARG  64  12.958  -0.031  -1.482
  413    HG2  ARG  64           2HG      ARG  64  14.562   1.822  -1.884
  414    HG3  ARG  64           1HG      ARG  64  15.588   0.685  -2.760
  415    HD2  ARG  64           2HD      ARG  64  14.262   1.880  -4.362
  416    HD3  ARG  64           1HD      ARG  64  13.674   0.219  -4.281
  417   HH11  ARG  64          1HH1      ARG  64  12.233  -0.648  -4.502
  418   HH12  ARG  64          2HH1      ARG  64  10.502  -0.798  -4.344
  419   HH21  ARG  64          1HH2      ARG  64  10.042   2.374  -2.945
  420   HH22  ARG  64          2HH2      ARG  64   9.277   0.914  -3.494
  421    H    ARG  65           H        ARG  65  12.710   0.196   1.129
  422    HA   ARG  65           HA       ARG  65  13.239   2.947   1.527
  423    HE   ARG  65           HE       ARG  65  10.107   3.851   5.762
  424    HB2  ARG  65           2HB      ARG  65  10.986   2.121   1.685
  425    HB3  ARG  65           1HB      ARG  65  11.430   1.013   2.972
  426    HG2  ARG  65           2HG      ARG  65  11.771   2.824   4.505
  427    HG3  ARG  65           1HG      ARG  65  11.531   4.011   3.221
  428    HD2  ARG  65           2HD      ARG  65   9.246   3.484   3.016
  429    HD3  ARG  65           1HD      ARG  65   9.425   2.002   3.954
  430   HH11  ARG  65          1HH1      ARG  65   7.485   3.871   3.457
  431   HH12  ARG  65          2HH1      ARG  65   6.341   4.610   4.549
  432   HH21  ARG  65          1HH2      ARG  65   8.606   4.812   7.223
  433   HH22  ARG  65          2HH2      ARG  65   6.970   5.115   6.690
  434    H    TYR  66           H        TYR  66  13.781   0.079   3.530
  435    HA   TYR  66           HA       TYR  66  15.309   1.710   5.428
  436    HD1  TYR  66           HD1      TYR  66  14.222   1.524   8.147
  437    HD2  TYR  66           HD2      TYR  66  11.992  -0.625   5.235
  438    HE1  TYR  66           HE1      TYR  66  12.144   2.501   9.025
  439    HE2  TYR  66           HE2      TYR  66   9.907   0.337   6.113
  440    HH   TYR  66           HH       TYR  66   9.850   2.973   8.253
  441    HB2  TYR  66           2HB      TYR  66  14.322  -1.147   5.629
  442    HB3  TYR  66           1HB      TYR  66  15.238  -0.307   6.881
  Start of MODEL    5
    1    H1   GLY   7           1H       GLY   7 -18.213   0.192   4.985
    2    HA2  GLY   7           2HA      GLY   7 -19.238   2.299   5.286
    3    HA3  GLY   7           1HA      GLY   7 -19.394   1.946   7.004
    4    H    ALA   8           H        ALA   8 -16.387   1.040   6.004
    5    HA   ALA   8           HA       ALA   8 -15.160   3.361   7.257
    6    HB1  ALA   8           3HB      ALA   8 -14.457   1.110   7.945
    7    HB2  ALA   8           1HB      ALA   8 -13.117   2.014   7.236
    8    HB3  ALA   8           2HB      ALA   8 -13.938   0.771   6.294
    9    H    LYS   9           H        LYS   9 -12.896   3.893   6.132
   10    HA   LYS   9           HA       LYS   9 -13.464   4.227   3.271
   11    HB2  LYS   9           2HB      LYS   9 -12.298   6.342   3.298
   12    HB3  LYS   9           1HB      LYS   9 -13.560   6.367   4.515
   13    HG2  LYS   9           2HG      LYS   9 -11.881   7.331   5.689
   14    HG3  LYS   9           1HG      LYS   9 -11.565   5.643   6.092
   15    HD2  LYS   9           2HD      LYS   9  -9.494   6.772   5.484
   16    HD3  LYS   9           1HD      LYS   9  -9.893   5.535   4.291
   17    HE2  LYS   9           2HE      LYS   9 -10.945   7.374   2.916
   18    HE3  LYS   9           1HE      LYS   9 -10.218   8.522   4.040
   19    HZ1  LYS   9           3HZ      LYS   9  -8.801   8.242   2.125
   20    HZ2  LYS   9           1HZ      LYS   9  -8.779   6.557   2.337
   21    HZ3  LYS   9           2HZ      LYS   9  -8.032   7.563   3.478
   22    H    CYS  10           H        CYS  10 -11.901   3.720   1.851
   23    HA   CYS  10           HA       CYS  10  -9.993   1.802   2.498
   24    HB2  CYS  10           2HB      CYS  10 -10.894   2.331   0.220
   25    HB3  CYS  10           1HB      CYS  10  -9.854   3.745   0.189
   26    H    GLY  11           H        GLY  11  -8.055   1.874   3.398
   27    HA2  GLY  11           2HA      GLY  11  -6.777   4.144   4.375
   28    HA3  GLY  11           1HA      GLY  11  -5.970   2.617   4.039
   29    H    ALA  12           H        ALA  12  -6.938   3.018   1.135
   30    HA   ALA  12           HA       ALA  12  -4.772   4.843   0.343
   31    HB1  ALA  12           3HB      ALA  12  -4.539   2.538  -0.455
   32    HB2  ALA  12           1HB      ALA  12  -4.751   3.668  -1.791
   33    HB3  ALA  12           2HB      ALA  12  -6.103   2.663  -1.266
   34    H    CYS  13           H        CYS  13  -8.083   3.875  -0.571
   35    HA   CYS  13           HA       CYS  13  -8.371   6.269  -2.212
   36    HB2  CYS  13           2HB      CYS  13 -10.467   4.181  -1.623
   37    HB3  CYS  13           1HB      CYS  13 -10.452   5.338  -2.944
   38    H    GLU  14           H        GLU  14  -9.870   7.915  -1.808
   39    HA   GLU  14           HA       GLU  14 -11.060   8.063   0.825
   40    HB2  GLU  14           2HB      GLU  14 -11.063   9.845  -1.590
   41    HB3  GLU  14           1HB      GLU  14 -12.272  10.083  -0.334
   42    HG2  GLU  14           2HG      GLU  14 -10.373  11.551  -0.006
   43    HG3  GLU  14           1HG      GLU  14 -10.516  10.396   1.317
   44    H    LYS  15           H        LYS  15 -11.641   6.210  -1.666
   45    HA   LYS  15           HA       LYS  15 -14.502   6.328  -1.877
   46    HB2  LYS  15           2HB      LYS  15 -12.745   3.976  -2.585
   47    HB3  LYS  15           1HB      LYS  15 -14.305   4.403  -3.268
   48    HG2  LYS  15           2HG      LYS  15 -11.734   5.921  -3.664
   49    HG3  LYS  15           1HG      LYS  15 -12.491   4.839  -4.831
   50    HD2  LYS  15           2HD      LYS  15 -13.799   7.323  -3.734
   51    HD3  LYS  15           1HD      LYS  15 -12.891   7.267  -5.247
   52    HE2  LYS  15           2HE      LYS  15 -14.443   5.576  -6.108
   53    HE3  LYS  15           1HE      LYS  15 -15.357   5.652  -4.600
   54    HZ1  LYS  15           3HZ      LYS  15 -16.385   7.000  -6.315
   55    HZ2  LYS  15           1HZ      LYS  15 -14.958   7.903  -6.497
   56    HZ3  LYS  15           2HZ      LYS  15 -15.830   7.978  -5.044
   57    H    THR  16           H        THR  16 -15.872   4.551  -1.136
   58    HA   THR  16           HA       THR  16 -15.322   4.059   1.640
   59    HB   THR  16           HB       THR  16 -17.663   2.816   0.387
   60    HG1  THR  16           HG1      THR  16 -18.188   4.560  -0.694
   61   HG21  THR  16          3HG2      THR  16 -18.802   3.881   2.307
   62   HG22  THR  16          1HG2      THR  16 -17.275   4.634   2.760
   63   HG23  THR  16          2HG2      THR  16 -17.438   2.878   2.800
   64    H    VAL  17           H        VAL  17 -15.139   2.139   2.664
   65    HA   VAL  17           HA       VAL  17 -14.829  -0.263   0.987
   66    HB   VAL  17           HB       VAL  17 -13.292   0.591   3.434
   67   HG11  VAL  17          1HG1      VAL  17 -13.373  -2.152   2.183
   68   HG12  VAL  17          2HG1      VAL  17 -13.948  -1.726   3.794
   69   HG13  VAL  17          3HG1      VAL  17 -12.228  -1.628   3.419
   70   HG21  VAL  17          3HG2      VAL  17 -12.440   1.346   1.297
   71   HG22  VAL  17          1HG2      VAL  17 -12.443  -0.312   0.702
   72   HG23  VAL  17          2HG2      VAL  17 -11.361   0.150   2.018
   73    H    TYR  18           H        TYR  18 -16.242  -1.814   1.383
   74    HA   TYR  18           HA       TYR  18 -17.566  -1.882   4.018
   75    HD1  TYR  18           HD1      TYR  18 -20.130  -0.727   3.788
   76    HD2  TYR  18           HD2      TYR  18 -18.613  -1.333  -0.137
   77    HE1  TYR  18           HE1      TYR  18 -21.100   1.418   3.092
   78    HE2  TYR  18           HE2      TYR  18 -19.579   0.815  -0.845
   79    HH   TYR  18           HH       TYR  18 -20.608   3.154   1.265
   80    HB2  TYR  18           2HB      TYR  18 -18.559  -3.111   1.430
   81    HB3  TYR  18           1HB      TYR  18 -19.437  -2.997   2.954
   82    H    HIS  19           H        HIS  19 -18.276  -4.347   4.464
   83    HA   HIS  19           HA       HIS  19 -15.812  -5.710   4.757
   84    HD1  HIS  19           HD1      HIS  19 -18.267  -9.276   4.754
   85    HD2  HIS  19           HD2      HIS  19 -20.388  -5.703   4.936
   86    HE1  HIS  19           HE1      HIS  19 -20.614  -9.845   4.057
   87    HE2  HIS  19           HE2      HIS  19 -21.822  -7.637   3.979
   88    HB2  HIS  19           2HB      HIS  19 -16.983  -7.428   5.870
   89    HB3  HIS  19           1HB      HIS  19 -17.845  -5.949   6.261
   90    H    ALA  20           H        ALA  20 -17.918  -5.497   2.165
   91    HA   ALA  20           HA       ALA  20 -17.770  -7.952   0.876
   92    HB1  ALA  20           3HB      ALA  20 -17.761  -5.196  -0.359
   93    HB2  ALA  20           1HB      ALA  20 -19.195  -6.100   0.138
   94    HB3  ALA  20           2HB      ALA  20 -18.188  -6.700  -1.179
   95    H    GLU  21           H        GLU  21 -15.613  -5.131   0.481
   96    HA   GLU  21           HA       GLU  21 -13.537  -7.013  -0.426
   97    HB2  GLU  21           2HB      GLU  21 -12.679  -5.273  -1.938
   98    HB3  GLU  21           1HB      GLU  21 -14.314  -5.755  -2.353
   99    HG2  GLU  21           2HG      GLU  21 -13.717  -3.304  -0.720
  100    HG3  GLU  21           1HG      GLU  21 -13.782  -3.294  -2.480
  101    H    GLU  22           H        GLU  22 -13.995  -6.105   2.243
  102    HA   GLU  22           HA       GLU  22 -11.950  -4.101   2.742
  103    HB2  GLU  22           2HB      GLU  22 -13.996  -3.998   4.075
  104    HB3  GLU  22           1HB      GLU  22 -13.716  -5.634   4.658
  105    HG2  GLU  22           2HG      GLU  22 -11.551  -4.797   5.632
  106    HG3  GLU  22           1HG      GLU  22 -12.104  -3.169   5.252
  107    H    ILE  23           H        ILE  23  -9.894  -4.621   3.033
  108    HA   ILE  23           HA       ILE  23  -9.356  -7.042   4.634
  109    HB   ILE  23           HB       ILE  23  -7.544  -5.716   2.599
  110   HG12  ILE  23          2HG1      ILE  23  -8.492  -8.576   2.710
  111   HG13  ILE  23          1HG1      ILE  23  -9.362  -7.328   1.818
  112   HG21  ILE  23          1HG2      ILE  23  -5.889  -7.413   3.202
  113   HG22  ILE  23          2HG2      ILE  23  -6.958  -8.007   4.473
  114   HG23  ILE  23          3HG2      ILE  23  -6.278  -6.383   4.579
  115   HD11  ILE  23          3HD1      ILE  23  -6.532  -8.230   1.330
  116   HD12  ILE  23          1HD1      ILE  23  -7.376  -6.967   0.434
  117   HD13  ILE  23          2HD1      ILE  23  -7.944  -8.635   0.353
  118    H    GLN  24           H        GLN  24  -8.828  -6.531   6.645
  119    HA   GLN  24           HA       GLN  24  -7.804  -3.840   7.177
  120    HB2  GLN  24           2HB      GLN  24  -9.420  -5.773   8.729
  121    HB3  GLN  24           1HB      GLN  24  -8.285  -4.786   9.642
  122    HG2  GLN  24           2HG      GLN  24  -9.293  -2.770   8.631
  123    HG3  GLN  24           1HG      GLN  24 -10.481  -3.803   7.840
  124   HE21  GLN  24          1HE2      GLN  24 -12.157  -4.644   9.013
  125   HE22  GLN  24          2HE2      GLN  24 -12.491  -4.174  10.647
  126    H    CYS  25           H        CYS  25  -5.698  -3.814   6.989
  127    HA   CYS  25           HA       CYS  25  -4.149  -5.812   8.495
  128    HG   CYS  25           HG       CYS  25  -3.182  -4.508   4.209
  129    HB2  CYS  25           2HB      CYS  25  -2.268  -4.736   6.935
  130    HB3  CYS  25           1HB      CYS  25  -3.268  -6.083   6.401
  131    H    ASN  26           H        ASN  26  -2.918  -5.141  10.119
  132    HA   ASN  26           HA       ASN  26  -1.888  -3.826  11.652
  133    HB2  ASN  26           2HB      ASN  26  -0.786  -2.740   9.706
  134    HB3  ASN  26           1HB      ASN  26  -2.107  -1.578   9.640
  135   HD21  ASN  26          1HD2      ASN  26  -1.061   0.234  10.141
  136   HD22  ASN  26          2HD2      ASN  26  -0.208   0.519  11.620
  137    H    GLY  27           H        GLY  27  -4.840  -2.756  10.209
  138    HA2  GLY  27           2HA      GLY  27  -6.555  -2.428  12.085
  139    HA3  GLY  27           1HA      GLY  27  -5.460  -1.152  12.599
  140    H    ARG  28           H        ARG  28  -5.687  -1.574   9.207
  141    HA   ARG  28           HA       ARG  28  -7.692   0.571   9.038
  142    HE   ARG  28           HE       ARG  28  -4.499   3.752  10.401
  143    HB2  ARG  28           2HB      ARG  28  -5.182   0.338   7.366
  144    HB3  ARG  28           1HB      ARG  28  -6.439   1.547   7.156
  145    HG2  ARG  28           2HG      ARG  28  -4.672   1.237   9.573
  146    HG3  ARG  28           1HG      ARG  28  -4.504   2.458   8.310
  147    HD2  ARG  28           2HD      ARG  28  -6.712   3.353   8.893
  148    HD3  ARG  28           1HD      ARG  28  -6.868   2.135  10.159
  149   HH11  ARG  28          1HH1      ARG  28  -7.916   3.535  11.190
  150   HH12  ARG  28          2HH1      ARG  28  -7.798   4.615  12.545
  151   HH21  ARG  28          1HH2      ARG  28  -4.363   5.190  12.178
  152   HH22  ARG  28          2HH2      ARG  28  -5.793   5.543  13.110
  153    H    SER  29           H        SER  29  -9.109   0.463   7.306
  154    HA   SER  29           HA       SER  29  -9.308  -2.130   6.029
  155    HG   SER  29           HG       SER  29 -12.158  -1.845   7.232
  156    HB2  SER  29           2HB      SER  29 -11.171   0.251   5.917
  157    HB3  SER  29           1HB      SER  29 -11.522  -1.365   5.306
  158    H    PHE  30           H        PHE  30  -8.373  -2.483   4.146
  159    HA   PHE  30           HA       PHE  30  -8.259  -0.276   2.189
  160    HD1  PHE  30           HD1      PHE  30  -5.467   0.644   1.560
  161    HD2  PHE  30           HD2      PHE  30  -5.649  -2.351   4.574
  162    HE1  PHE  30           HE1      PHE  30  -3.832   1.900   2.903
  163    HE2  PHE  30           HE2      PHE  30  -4.021  -1.098   5.925
  164    HZ   PHE  30           HZ       PHE  30  -3.111   1.030   5.090
  165    HB2  PHE  30           2HB      PHE  30  -6.524  -2.760   2.375
  166    HB3  PHE  30           1HB      PHE  30  -6.421  -1.544   1.109
  167    H    HIS  31           H        HIS  31  -8.811  -0.816  -0.014
  168    HA   HIS  31           HA       HIS  31 -10.848  -2.765  -0.336
  169    HD2  HIS  31           HD2      HIS  31 -12.911  -1.632  -1.054
  170    HE1  HIS  31           HE1      HIS  31 -12.242   2.334  -2.345
  171    HE2  HIS  31           HE2      HIS  31 -13.845   0.789  -1.150
  172    HB2  HIS  31           2HB      HIS  31  -9.214  -1.225  -2.359
  173    HB3  HIS  31           1HB      HIS  31 -10.414  -2.415  -2.841
  174    H    LYS  32           H        LYS  32 -10.788  -4.756  -1.312
  175    HA   LYS  32           HA       LYS  32  -8.556  -6.393  -1.039
  176    HB2  LYS  32           2HB      LYS  32 -10.859  -7.207  -1.182
  177    HB3  LYS  32           1HB      LYS  32 -10.955  -6.686  -2.855
  178    HG2  LYS  32           2HG      LYS  32  -9.544  -8.386  -3.586
  179    HG3  LYS  32           1HG      LYS  32  -8.926  -8.692  -1.960
  180    HD2  LYS  32           2HD      LYS  32 -10.882  -9.771  -1.288
  181    HD3  LYS  32           1HD      LYS  32 -11.827  -9.078  -2.609
  182    HE2  LYS  32           2HE      LYS  32  -9.548 -10.980  -3.079
  183    HE3  LYS  32           1HE      LYS  32 -11.197 -11.538  -2.800
  184    HZ1  LYS  32           3HZ      LYS  32 -10.552 -11.283  -5.181
  185    HZ2  LYS  32           1HZ      LYS  32 -10.475  -9.605  -4.933
  186    HZ3  LYS  32           2HZ      LYS  32 -11.947 -10.426  -4.733
  187    H    THR  33           H        THR  33  -9.530  -4.269  -3.599
  188    HA   THR  33           HA       THR  33  -7.553  -5.228  -5.476
  189    HB   THR  33           HB       THR  33  -8.286  -3.169  -6.768
  190    HG1  THR  33           HG1      THR  33  -9.348  -1.786  -5.569
  191   HG21  THR  33          3HG2      THR  33 -10.404  -5.170  -5.970
  192   HG22  THR  33          1HG2      THR  33  -9.208  -5.377  -7.247
  193   HG23  THR  33          2HG2      THR  33 -10.455  -4.140  -7.403
  194    H    CYS  34           H        CYS  34  -7.505  -3.251  -2.778
  195    HA   CYS  34           HA       CYS  34  -5.242  -1.652  -3.775
  196    HB2  CYS  34           2HB      CYS  34  -7.097  -1.094  -1.445
  197    HB3  CYS  34           1HB      CYS  34  -5.778  -0.056  -1.980
  198    H    PHE  35           H        PHE  35  -5.372  -4.446  -2.573
  199    HA   PHE  35           HA       PHE  35  -4.028  -4.056  -0.035
  200    HD1  PHE  35           HD2      PHE  35  -4.484  -5.049   1.927
  201    HD2  PHE  35           HD1      PHE  35  -3.594  -8.440  -0.481
  202    HE1  PHE  35           HE2      PHE  35  -3.430  -6.134   3.860
  203    HE2  PHE  35           HE1      PHE  35  -2.531  -9.532   1.449
  204    HZ   PHE  35           HZ       PHE  35  -2.452  -8.373   3.618
  205    HB2  PHE  35           2HB      PHE  35  -5.778  -5.810  -0.339
  206    HB3  PHE  35           1HB      PHE  35  -4.677  -6.654  -1.424
  207    H    HIS  36           H        HIS  36  -3.061  -4.218  -3.221
  208    HA   HIS  36           HA       HIS  36  -0.576  -5.584  -2.568
  209    HD1  HIS  36           HD1      HIS  36  -3.428  -5.996  -5.909
  210    HD2  HIS  36           HD2      HIS  36  -0.992  -2.629  -5.925
  211    HE1  HIS  36           HE1      HIS  36  -4.538  -4.361  -7.470
  212    HE2  HIS  36           HE2      HIS  36  -2.944  -2.424  -7.621
  213    HB2  HIS  36           2HB      HIS  36  -0.035  -5.262  -5.022
  214    HB3  HIS  36           1HB      HIS  36  -1.364  -6.339  -4.633
  215    H    CYS  37           H        CYS  37   1.464  -4.517  -3.643
  216    HA   CYS  37           HA       CYS  37   2.175  -2.784  -1.651
  217    HB2  CYS  37           2HB      CYS  37   3.690  -4.158  -3.091
  218    HB3  CYS  37           1HB      CYS  37   3.543  -2.918  -4.329
  219    H    MET  38           H        MET  38   1.998  -0.761  -1.223
  220    HA   MET  38           HA       MET  38   0.752   1.113  -2.980
  221    HB2  MET  38           2HB      MET  38   2.139   1.544  -0.329
  222    HB3  MET  38           1HB      MET  38   1.118   2.716  -1.150
  223    HG2  MET  38           2HG      MET  38   0.242   0.045  -0.082
  224    HG3  MET  38           1HG      MET  38  -0.074   1.614   0.651
  225    HE1  MET  38           3HE      MET  38  -2.649   1.083   0.776
  226    HE2  MET  38           1HE      MET  38  -2.336  -0.503   0.074
  227    HE3  MET  38           2HE      MET  38  -3.605   0.523  -0.599
  228    H    ALA  39           H        ALA  39   4.021   0.213  -2.264
  229    HA   ALA  39           HA       ALA  39   5.127   2.784  -2.986
  230    HB1  ALA  39           3HB      ALA  39   6.543   0.205  -2.370
  231    HB2  ALA  39           1HB      ALA  39   6.136   1.458  -1.198
  232    HB3  ALA  39           2HB      ALA  39   7.281   1.801  -2.497
  233    H    CYS  40           H        CYS  40   5.291  -0.520  -4.372
  234    HA   CYS  40           HA       CYS  40   5.968   0.792  -6.908
  235    HB2  CYS  40           2HB      CYS  40   6.766  -1.400  -7.712
  236    HB3  CYS  40           1HB      CYS  40   7.639  -0.876  -6.283
  237    H    ARG  41           H        ARG  41   4.667  -2.397  -6.698
  238    HA   ARG  41           HA       ARG  41   1.975  -1.947  -6.395
  239    HE   ARG  41           HE       ARG  41  -1.604   0.053  -7.967
  240    HB2  ARG  41           2HB      ARG  41   2.605  -0.875  -8.833
  241    HB3  ARG  41           1HB      ARG  41   2.140  -2.512  -9.281
  242    HG2  ARG  41           2HG      ARG  41   0.265  -0.897  -9.347
  243    HG3  ARG  41           1HG      ARG  41  -0.013  -2.249  -8.246
  244    HD2  ARG  41           2HD      ARG  41   0.668  -0.839  -6.358
  245    HD3  ARG  41           1HD      ARG  41   0.935   0.507  -7.460
  246   HH11  ARG  41          1HH1      ARG  41   0.002  -0.030  -4.842
  247   HH12  ARG  41          2HH1      ARG  41  -1.396   0.513  -3.967
  248   HH21  ARG  41          1HH2      ARG  41  -3.442   0.744  -6.817
  249   HH22  ARG  41          2HH2      ARG  41  -3.352   0.973  -5.099
  250    H    LYS  42           H        LYS  42   4.309  -3.796  -6.114
  251    HA   LYS  42           HA       LYS  42   3.866  -6.246  -7.374
  252    HB2  LYS  42           2HB      LYS  42   5.844  -5.681  -5.978
  253    HB3  LYS  42           1HB      LYS  42   4.829  -5.738  -4.545
  254    HG2  LYS  42           2HG      LYS  42   6.059  -7.771  -4.676
  255    HG3  LYS  42           1HG      LYS  42   4.370  -8.131  -5.042
  256    HD2  LYS  42           2HD      LYS  42   4.872  -8.146  -7.422
  257    HD3  LYS  42           1HD      LYS  42   6.550  -7.717  -7.088
  258    HE2  LYS  42           2HE      LYS  42   6.863  -9.807  -5.890
  259    HE3  LYS  42           1HE      LYS  42   5.171 -10.227  -6.155
  260    HZ1  LYS  42           3HZ      LYS  42   5.594 -10.222  -8.537
  261    HZ2  LYS  42           1HZ      LYS  42   6.591 -11.340  -7.740
  262    HZ3  LYS  42           2HZ      LYS  42   7.225  -9.854  -8.264
  263    H    ALA  43           H        ALA  43   2.477  -7.948  -6.975
  264    HA   ALA  43           HA       ALA  43   0.091  -7.297  -5.522
  265    HB1  ALA  43           3HB      ALA  43   0.035  -8.550  -7.643
  266    HB2  ALA  43           1HB      ALA  43  -0.761  -9.418  -6.330
  267    HB3  ALA  43           2HB      ALA  43   0.853  -9.897  -6.854
  268    H    LEU  44           H        LEU  44   0.085  -7.415  -3.363
  269    HA   LEU  44           HA       LEU  44   1.647  -9.450  -1.985
  270    HG   LEU  44           HG       LEU  44   2.254  -6.597   0.244
  271    HB2  LEU  44           2HB      LEU  44   0.162  -7.002  -1.092
  272    HB3  LEU  44           1HB      LEU  44   0.582  -8.244   0.069
  273   HD11  LEU  44          1HD1      LEU  44   3.128  -8.874   0.228
  274   HD12  LEU  44          2HD1      LEU  44   4.292  -7.740  -0.462
  275   HD13  LEU  44          3HD1      LEU  44   3.345  -8.786  -1.520
  276   HD21  LEU  44          3HD2      LEU  44   2.509  -6.701  -2.753
  277   HD22  LEU  44          1HD2      LEU  44   3.542  -5.771  -1.669
  278   HD23  LEU  44          2HD2      LEU  44   1.827  -5.383  -1.799
  279    H    ASP  45           H        ASP  45   0.780 -11.022  -0.686
  280    HA   ASP  45           HA       ASP  45  -2.150 -11.311  -0.743
  281    HB2  ASP  45           2HB      ASP  45  -1.937 -13.643  -0.616
  282    HB3  ASP  45           1HB      ASP  45  -0.616 -13.195  -1.690
  283    H    SER  46           H        SER  46  -2.608 -12.863   1.442
  284    HA   SER  46           HA       SER  46  -2.432 -10.998   3.529
  285    HG   SER  46           HG       SER  46  -3.200 -14.891   4.030
  286    HB2  SER  46           2HB      SER  46  -3.181 -13.010   4.945
  287    HB3  SER  46           1HB      SER  46  -4.229 -12.514   3.617
  288    H    THR  47           H        THR  47  -0.210 -13.426   2.484
  289    HA   THR  47           HA       THR  47   1.157 -13.559   5.054
  290    HB   THR  47           HB       THR  47   2.132 -14.871   2.540
  291    HG1  THR  47           HG1      THR  47  -0.046 -15.418   2.593
  292   HG21  THR  47          3HG2      THR  47   2.111 -15.732   5.434
  293   HG22  THR  47          1HG2      THR  47   3.484 -15.018   4.588
  294   HG23  THR  47          2HG2      THR  47   2.870 -16.595   4.096
  295    H    THR  48           H        THR  48   1.924 -12.574   1.697
  296    HA   THR  48           HA       THR  48   4.665 -12.085   2.326
  297    HB   THR  48           HB       THR  48   4.668 -11.045  -0.025
  298    HG1  THR  48           HG1      THR  48   2.167 -12.388  -0.223
  299   HG21  THR  48          3HG2      THR  48   4.598 -13.264  -1.077
  300   HG22  THR  48          1HG2      THR  48   3.810 -13.918   0.360
  301   HG23  THR  48          2HG2      THR  48   5.462 -13.310   0.459
  302    H    VAL  49           H        VAL  49   1.873 -10.079   2.558
  303    HA   VAL  49           HA       VAL  49   3.079  -7.595   1.963
  304    HB   VAL  49           HB       VAL  49   0.751  -7.509   1.951
  305   HG11  VAL  49          1HG1      VAL  49   0.755  -8.651   4.747
  306   HG12  VAL  49          2HG1      VAL  49   0.329  -9.526   3.277
  307   HG13  VAL  49          3HG1      VAL  49  -0.675  -8.186   3.829
  308   HG21  VAL  49          3HG2      VAL  49   1.678  -5.512   2.946
  309   HG22  VAL  49          1HG2      VAL  49   1.623  -6.252   4.547
  310   HG23  VAL  49          2HG2      VAL  49   0.125  -5.889   3.690
  311    H    ALA  50           H        ALA  50   4.492  -6.425   3.010
  312    HA   ALA  50           HA       ALA  50   5.046  -7.015   5.820
  313    HB1  ALA  50           3HB      ALA  50   6.963  -6.974   4.299
  314    HB2  ALA  50           1HB      ALA  50   7.082  -5.692   5.504
  315    HB3  ALA  50           2HB      ALA  50   6.580  -5.311   3.854
  316    H    ALA  51           H        ALA  51   3.729  -5.917   7.134
  317    HA   ALA  51           HA       ALA  51   3.144  -3.110   6.527
  318    HB1  ALA  51           3HB      ALA  51   1.762  -4.996   8.432
  319    HB2  ALA  51           1HB      ALA  51   1.185  -4.525   6.833
  320    HB3  ALA  51           2HB      ALA  51   1.298  -3.323   8.119
  321    H    HIS  52           H        HIS  52   4.090  -1.578   7.671
  322    HA   HIS  52           HA       HIS  52   5.062  -2.180  10.368
  323    HD1  HIS  52           HD1      HIS  52   8.331  -2.831  10.886
  324    HD2  HIS  52           HD2      HIS  52   7.421   1.173  10.239
  325    HE1  HIS  52           HE1      HIS  52   9.665  -1.551  12.590
  326    HE2  HIS  52           HE2      HIS  52   8.915   0.847  12.324
  327    HB2  HIS  52           2HB      HIS  52   6.979  -2.451   8.785
  328    HB3  HIS  52           1HB      HIS  52   6.740  -0.790   8.258
  329    H    GLU  53           H        GLU  53   4.632  -0.607  11.768
  330    HA   GLU  53           HA       GLU  53   4.063   1.389  12.675
  331    HB2  GLU  53           2HB      GLU  53   5.898   2.213  11.064
  332    HB3  GLU  53           1HB      GLU  53   4.573   2.749  10.041
  333    HG2  GLU  53           2HG      GLU  53   5.327   4.593  11.348
  334    HG3  GLU  53           1HG      GLU  53   3.729   4.112  11.926
  335    H    SER  54           H        SER  54   3.074   2.278   9.415
  336    HA   SER  54           HA       SER  54   0.311   1.602   9.992
  337    HG   SER  54           HG       SER  54   1.524   4.610   8.327
  338    HB2  SER  54           2HB      SER  54  -0.427   3.902   9.268
  339    HB3  SER  54           1HB      SER  54   0.388   3.853  10.831
  340    H    GLU  55           H        GLU  55   2.750   1.183   8.052
  341    HA   GLU  55           HA       GLU  55   1.323   1.768   5.539
  342    HB2  GLU  55           2HB      GLU  55   4.303   1.442   5.871
  343    HB3  GLU  55           1HB      GLU  55   3.444   2.068   4.473
  344    HG2  GLU  55           2HG      GLU  55   3.700   3.389   7.159
  345    HG3  GLU  55           1HG      GLU  55   4.513   3.863   5.671
  346    H    ILE  56           H        ILE  56   1.621   0.271   3.794
  347    HA   ILE  56           HA       ILE  56   2.560  -2.410   4.534
  348    HB   ILE  56           HB       ILE  56   0.448  -3.161   4.529
  349   HG12  ILE  56          2HG1      ILE  56   0.599  -2.529   1.575
  350   HG13  ILE  56          1HG1      ILE  56   1.102  -4.023   2.360
  351   HG21  ILE  56          1HG2      ILE  56  -1.498  -1.880   3.782
  352   HG22  ILE  56          2HG2      ILE  56  -0.420  -0.650   3.121
  353   HG23  ILE  56          3HG2      ILE  56  -0.451  -0.954   4.858
  354   HD11  ILE  56          3HD1      ILE  56  -1.216  -4.478   2.973
  355   HD12  ILE  56          1HD1      ILE  56  -1.027  -4.291   1.229
  356   HD13  ILE  56          2HD1      ILE  56  -1.718  -2.980   2.186
  357    H    TYR  57           H        TYR  57   3.971  -3.205   3.099
  358    HA   TYR  57           HA       TYR  57   3.788  -2.397   0.296
  359    HD1  TYR  57           HD1      TYR  57   4.557   0.221  -0.195
  360    HD2  TYR  57           HD2      TYR  57   6.423  -0.760   3.496
  361    HE1  TYR  57           HE1      TYR  57   4.207   2.523   0.582
  362    HE2  TYR  57           HE2      TYR  57   6.087   1.545   4.286
  363    HH   TYR  57           HH       TYR  57   5.730   3.778   3.366
  364    HB2  TYR  57           2HB      TYR  57   6.434  -2.311   1.758
  365    HB3  TYR  57           1HB      TYR  57   6.110  -1.801   0.110
  366    H    CYS  58           H        CYS  58   5.486  -3.638  -1.015
  367    HA   CYS  58           HA       CYS  58   5.429  -6.412  -0.311
  368    HB2  CYS  58           2HB      CYS  58   6.510  -6.818  -2.399
  369    HB3  CYS  58           1HB      CYS  58   5.370  -5.507  -2.679
  370    H    LYS  59           H        LYS  59   7.634  -7.661  -0.449
  371    HA   LYS  59           HA       LYS  59   9.210  -6.793   1.729
  372    HB2  LYS  59           2HB      LYS  59   9.748  -8.920  -0.346
  373    HB3  LYS  59           1HB      LYS  59  10.730  -8.671   1.090
  374    HG2  LYS  59           2HG      LYS  59   8.782  -9.161   2.498
  375    HG3  LYS  59           1HG      LYS  59   7.815  -9.439   1.049
  376    HD2  LYS  59           2HD      LYS  59   9.382 -11.249   0.406
  377    HD3  LYS  59           1HD      LYS  59  10.248 -10.999   1.921
  378    HE2  LYS  59           2HE      LYS  59   7.345 -11.782   1.678
  379    HE3  LYS  59           1HE      LYS  59   8.669 -12.888   2.028
  380    HZ1  LYS  59           3HZ      LYS  59   7.752 -10.630   3.726
  381    HZ2  LYS  59           1HZ      LYS  59   9.123 -11.574   4.049
  382    HZ3  LYS  59           2HZ      LYS  59   7.580 -12.282   4.059
  383    H    VAL  60           H        VAL  60   9.462  -6.314  -1.703
  384    HA   VAL  60           HA       VAL  60  12.236  -5.744  -1.818
  385    HB   VAL  60           HB       VAL  60  10.057  -4.818  -3.699
  386   HG11  VAL  60          1HG1      VAL  60  13.035  -5.058  -4.114
  387   HG12  VAL  60          2HG1      VAL  60  12.126  -3.555  -3.965
  388   HG13  VAL  60          3HG1      VAL  60  11.855  -4.615  -5.348
  389   HG21  VAL  60          3HG2      VAL  60  10.056  -7.237  -3.469
  390   HG22  VAL  60          1HG2      VAL  60  11.791  -7.285  -3.777
  391   HG23  VAL  60          2HG2      VAL  60  10.684  -6.774  -5.053
  392    H    CYS  61           H        CYS  61   9.384  -3.597  -1.792
  393    HA   CYS  61           HA       CYS  61  10.924  -1.217  -1.692
  394    HB2  CYS  61           2HB      CYS  61   8.036  -1.676  -0.950
  395    HB3  CYS  61           1HB      CYS  61   8.798  -0.098  -1.129
  396    H    TYR  62           H        TYR  62   9.617  -3.323   0.774
  397    HA   TYR  62           HA       TYR  62   9.955  -1.656   2.993
  398    HD1  TYR  62           HD1      TYR  62  11.795  -4.478   5.035
  399    HD2  TYR  62           HD2      TYR  62   7.868  -2.853   4.841
  400    HE1  TYR  62           HE1      TYR  62  11.752  -4.298   7.488
  401    HE2  TYR  62           HE2      TYR  62   7.814  -2.669   7.289
  402    HH   TYR  62           HH       TYR  62  10.543  -2.896   9.211
  403    HB2  TYR  62           2HB      TYR  62   8.845  -3.947   2.919
  404    HB3  TYR  62           1HB      TYR  62  10.466  -4.633   2.989
  405    H    GLY  63           H        GLY  63  12.207  -3.956   1.476
  406    HA2  GLY  63           2HA      GLY  63  14.403  -3.377   3.166
  407    HA3  GLY  63           1HA      GLY  63  14.495  -4.130   1.581
  408    H    ARG  64           H        ARG  64  13.364  -2.032   0.071
  409    HA   ARG  64           HA       ARG  64  15.590  -0.479  -0.537
  410    HE   ARG  64           HE       ARG  64  13.704   1.031  -4.236
  411    HB2  ARG  64           2HB      ARG  64  12.661   0.023  -1.080
  412    HB3  ARG  64           1HB      ARG  64  13.955   0.995  -1.764
  413    HG2  ARG  64           2HG      ARG  64  14.801  -0.851  -3.000
  414    HG3  ARG  64           1HG      ARG  64  13.732  -1.976  -2.160
  415    HD2  ARG  64           2HD      ARG  64  12.900  -1.475  -4.402
  416    HD3  ARG  64           1HD      ARG  64  11.790  -0.894  -3.169
  417   HH11  ARG  64          1HH1      ARG  64  10.401  -0.205  -4.208
  418   HH12  ARG  64          2HH1      ARG  64   9.749   1.187  -5.018
  419   HH21  ARG  64          1HH2      ARG  64  12.801   2.869  -5.287
  420   HH22  ARG  64          2HH2      ARG  64  11.098   2.909  -5.625
  421    H    ARG  65           H        ARG  65  12.800   0.299   1.502
  422    HA   ARG  65           HA       ARG  65  13.732   2.991   1.961
  423    HE   ARG  65           HE       ARG  65   9.135   2.874  -0.260
  424    HB2  ARG  65           2HB      ARG  65  11.428   1.465   3.172
  425    HB3  ARG  65           1HB      ARG  65  11.744   3.178   3.421
  426    HG2  ARG  65           2HG      ARG  65  11.475   3.561   1.010
  427    HG3  ARG  65           1HG      ARG  65  11.105   1.849   0.794
  428    HD2  ARG  65           2HD      ARG  65   9.163   2.083   2.255
  429    HD3  ARG  65           1HD      ARG  65   9.536   3.793   2.482
  430   HH11  ARG  65          1HH1      ARG  65   7.865   4.541   2.550
  431   HH12  ARG  65          2HH1      ARG  65   6.570   5.296   1.677
  432   HH21  ARG  65          1HH2      ARG  65   7.442   3.894  -1.411
  433   HH22  ARG  65          2HH2      ARG  65   6.308   4.906  -0.567
  434    H    TYR  66           H        TYR  66  13.785  -0.061   3.726
  435    HA   TYR  66           HA       TYR  66  14.838   1.368   6.071
  436    HD1  TYR  66           HD2      TYR  66  13.240   1.419   8.269
  437    HD2  TYR  66           HD1      TYR  66  11.376  -0.927   5.252
  438    HE1  TYR  66           HE2      TYR  66  11.080   2.473   8.793
  439    HE2  TYR  66           HE1      TYR  66   9.214   0.122   5.763
  440    HH   TYR  66           HH       TYR  66   8.148   1.273   7.781
  441    HB2  TYR  66           2HB      TYR  66  13.597  -1.379   5.858
  442    HB3  TYR  66           1HB      TYR  66  14.282  -0.711   7.335
  Start of MODEL    6
    1    H1   GLY   7           1H       GLY   7 -20.031   0.717   7.366
    2    HA2  GLY   7           2HA      GLY   7 -18.582   0.389   5.453
    3    HA3  GLY   7           1HA      GLY   7 -19.254   1.859   4.757
    4    H    ALA   8           H        ALA   8 -16.521   1.380   5.027
    5    HA   ALA   8           HA       ALA   8 -15.797   3.525   6.918
    6    HB1  ALA   8           3HB      ALA   8 -13.654   2.405   7.295
    7    HB2  ALA   8           1HB      ALA   8 -14.145   1.088   6.231
    8    HB3  ALA   8           2HB      ALA   8 -14.996   1.356   7.752
    9    H    LYS   9           H        LYS   9 -13.181   3.913   6.107
   10    HA   LYS   9           HA       LYS   9 -13.498   4.548   3.257
   11    HB2  LYS   9           2HB      LYS   9 -12.072   6.504   3.587
   12    HB3  LYS   9           1HB      LYS   9 -13.493   6.590   4.622
   13    HG2  LYS   9           2HG      LYS   9 -12.255   6.135   6.550
   14    HG3  LYS   9           1HG      LYS   9 -10.874   5.537   5.629
   15    HD2  LYS   9           2HD      LYS   9 -11.845   8.393   5.631
   16    HD3  LYS   9           1HD      LYS   9 -10.493   7.782   6.589
   17    HE2  LYS   9           2HE      LYS   9  -9.401   7.067   4.467
   18    HE3  LYS   9           1HE      LYS   9 -10.703   7.858   3.576
   19    HZ1  LYS   9           3HZ      LYS   9 -10.065   9.958   4.453
   20    HZ2  LYS   9           1HZ      LYS   9  -8.667   9.223   3.839
   21    HZ3  LYS   9           2HZ      LYS   9  -8.941   9.257   5.509
   22    H    CYS  10           H        CYS  10 -11.830   4.152   1.923
   23    HA   CYS  10           HA       CYS  10  -9.967   2.143   2.666
   24    HB2  CYS  10           2HB      CYS  10 -10.949   2.418   0.406
   25    HB3  CYS  10           1HB      CYS  10 -10.055   3.919   0.222
   26    H    GLY  11           H        GLY  11  -8.051   2.383   3.565
   27    HA2  GLY  11           2HA      GLY  11  -6.857   4.854   4.184
   28    HA3  GLY  11           1HA      GLY  11  -6.042   3.295   4.210
   29    H    ALA  12           H        ALA  12  -6.819   3.020   1.247
   30    HA   ALA  12           HA       ALA  12  -4.435   4.417   0.275
   31    HB1  ALA  12           3HB      ALA  12  -4.544   2.008  -0.102
   32    HB2  ALA  12           1HB      ALA  12  -4.538   2.891  -1.628
   33    HB3  ALA  12           2HB      ALA  12  -6.043   2.213  -1.010
   34    H    CYS  13           H        CYS  13  -7.897   4.221  -0.213
   35    HA   CYS  13           HA       CYS  13  -7.736   6.222  -2.368
   36    HB2  CYS  13           2HB      CYS  13 -10.090   4.573  -1.414
   37    HB3  CYS  13           1HB      CYS  13 -10.113   5.696  -2.765
   38    H    GLU  14           H        GLU  14  -9.902   7.622  -2.270
   39    HA   GLU  14           HA       GLU  14 -10.424   8.513   0.489
   40    HB2  GLU  14           2HB      GLU  14 -11.514   9.712  -2.067
   41    HB3  GLU  14           1HB      GLU  14 -11.486  10.433  -0.464
   42    HG2  GLU  14           2HG      GLU  14  -9.198  10.879  -0.577
   43    HG3  GLU  14           1HG      GLU  14  -8.965   9.784  -1.943
   44    H    LYS  15           H        LYS  15 -11.295   6.212  -1.529
   45    HA   LYS  15           HA       LYS  15 -14.152   6.542  -1.660
   46    HB2  LYS  15           2HB      LYS  15 -12.410   4.212  -2.489
   47    HB3  LYS  15           1HB      LYS  15 -14.112   4.409  -2.877
   48    HG2  LYS  15           2HG      LYS  15 -11.849   6.158  -3.813
   49    HG3  LYS  15           1HG      LYS  15 -12.750   4.989  -4.780
   50    HD2  LYS  15           2HD      LYS  15 -14.809   6.299  -4.368
   51    HD3  LYS  15           1HD      LYS  15 -13.839   7.496  -3.508
   52    HE2  LYS  15           2HE      LYS  15 -12.511   7.840  -5.562
   53    HE3  LYS  15           1HE      LYS  15 -13.577   6.717  -6.410
   54    HZ1  LYS  15           3HZ      LYS  15 -14.323   9.324  -5.198
   55    HZ2  LYS  15           1HZ      LYS  15 -15.442   8.214  -5.831
   56    HZ3  LYS  15           2HZ      LYS  15 -14.295   8.933  -6.846
   57    H    THR  16           H        THR  16 -15.541   4.668  -1.085
   58    HA   THR  16           HA       THR  16 -15.161   4.151   1.723
   59    HB   THR  16           HB       THR  16 -17.471   2.989   1.229
   60    HG1  THR  16           HG1      THR  16 -17.464   3.163  -0.990
   61   HG21  THR  16          3HG2      THR  16 -18.588   5.145   1.622
   62   HG22  THR  16          1HG2      THR  16 -17.089   5.984   1.222
   63   HG23  THR  16          2HG2      THR  16 -17.170   4.957   2.653
   64    H    VAL  17           H        VAL  17 -14.796   2.247   2.668
   65    HA   VAL  17           HA       VAL  17 -14.604  -0.159   0.972
   66    HB   VAL  17           HB       VAL  17 -13.198   0.586   3.535
   67   HG11  VAL  17          1HG1      VAL  17 -13.992  -1.712   3.795
   68   HG12  VAL  17          2HG1      VAL  17 -12.240  -1.668   3.593
   69   HG13  VAL  17          3HG1      VAL  17 -13.273  -2.143   2.244
   70   HG21  VAL  17          3HG2      VAL  17 -12.155   1.337   1.490
   71   HG22  VAL  17          1HG2      VAL  17 -12.219  -0.299   0.835
   72   HG23  VAL  17          2HG2      VAL  17 -11.193   0.055   2.226
   73    H    TYR  18           H        TYR  18 -15.990  -1.782   1.337
   74    HA   TYR  18           HA       TYR  18 -17.511  -1.719   3.857
   75    HD1  TYR  18           HD2      TYR  18 -18.076   0.140   0.851
   76    HD2  TYR  18           HD1      TYR  18 -20.876  -1.622   3.522
   77    HE1  TYR  18           HE2      TYR  18 -19.300   2.263   0.957
   78    HE2  TYR  18           HE1      TYR  18 -22.114   0.496   3.631
   79    HH   TYR  18           HH       TYR  18 -21.596   3.017   1.436
   80    HB2  TYR  18           2HB      TYR  18 -18.405  -2.378   1.059
   81    HB3  TYR  18           1HB      TYR  18 -19.285  -2.979   2.461
   82    H    HIS  19           H        HIS  19 -18.507  -3.962   4.270
   83    HA   HIS  19           HA       HIS  19 -16.553  -5.847   4.749
   84    HD1  HIS  19           HD1      HIS  19 -20.365  -8.525   4.251
   85    HD2  HIS  19           HD2      HIS  19 -20.374  -4.428   3.543
   86    HE1  HIS  19           HE1      HIS  19 -22.465  -8.068   2.934
   87    HE2  HIS  19           HE2      HIS  19 -22.521  -5.556   2.651
   88    HB2  HIS  19           2HB      HIS  19 -18.351  -7.440   5.167
   89    HB3  HIS  19           1HB      HIS  19 -18.773  -5.861   5.813
   90    H    ALA  20           H        ALA  20 -18.085  -5.135   1.787
   91    HA   ALA  20           HA       ALA  20 -18.071  -7.614   0.473
   92    HB1  ALA  20           3HB      ALA  20 -18.282  -6.296  -1.567
   93    HB2  ALA  20           1HB      ALA  20 -17.792  -4.844  -0.690
   94    HB3  ALA  20           2HB      ALA  20 -19.316  -5.645  -0.296
   95    H    GLU  21           H        GLU  21 -15.768  -4.913   0.240
   96    HA   GLU  21           HA       GLU  21 -13.782  -6.817  -0.820
   97    HB2  GLU  21           2HB      GLU  21 -12.875  -4.972  -2.170
   98    HB3  GLU  21           1HB      GLU  21 -14.551  -5.305  -2.574
   99    HG2  GLU  21           2HG      GLU  21 -13.660  -3.085  -0.752
  100    HG3  GLU  21           1HG      GLU  21 -13.958  -2.894  -2.477
  101    H    GLU  22           H        GLU  22 -14.230  -6.124   1.919
  102    HA   GLU  22           HA       GLU  22 -12.250  -4.193   2.710
  103    HB2  GLU  22           2HB      GLU  22 -14.305  -4.449   4.006
  104    HB3  GLU  22           1HB      GLU  22 -13.905  -6.128   4.341
  105    HG2  GLU  22           2HG      GLU  22 -11.763  -5.168   5.406
  106    HG3  GLU  22           1HG      GLU  22 -12.641  -3.641   5.410
  107    H    ILE  23           H        ILE  23 -10.150  -4.642   2.822
  108    HA   ILE  23           HA       ILE  23  -9.478  -7.055   4.377
  109    HB   ILE  23           HB       ILE  23  -7.760  -5.701   2.276
  110   HG12  ILE  23          2HG1      ILE  23  -8.224  -8.638   2.461
  111   HG13  ILE  23          1HG1      ILE  23  -9.510  -7.634   1.781
  112   HG21  ILE  23          1HG2      ILE  23  -7.000  -7.847   4.256
  113   HG22  ILE  23          2HG2      ILE  23  -6.449  -6.171   4.284
  114   HG23  ILE  23          3HG2      ILE  23  -5.982  -7.231   2.955
  115   HD11  ILE  23          3HD1      ILE  23  -6.668  -7.824   0.798
  116   HD12  ILE  23          1HD1      ILE  23  -7.927  -6.797   0.109
  117   HD13  ILE  23          2HD1      ILE  23  -8.087  -8.552   0.044
  118    H    GLN  24           H        GLN  24  -8.986  -6.438   6.385
  119    HA   GLN  24           HA       GLN  24  -7.903  -3.761   6.798
  120    HB2  GLN  24           2HB      GLN  24  -8.995  -5.829   8.700
  121    HB3  GLN  24           1HB      GLN  24  -8.189  -4.365   9.250
  122    HG2  GLN  24           2HG      GLN  24  -9.851  -3.005   8.121
  123    HG3  GLN  24           1HG      GLN  24 -10.649  -4.460   7.523
  124   HE21  GLN  24          1HE2      GLN  24 -11.868  -5.693   8.908
  125   HE22  GLN  24          2HE2      GLN  24 -12.338  -5.149  10.481
  126    H    CYS  25           H        CYS  25  -5.811  -3.703   6.392
  127    HA   CYS  25           HA       CYS  25  -4.093  -5.894   7.276
  128    HG   CYS  25           HG       CYS  25  -1.186  -5.041   4.606
  129    HB2  CYS  25           2HB      CYS  25  -3.837  -5.003   4.965
  130    HB3  CYS  25           1HB      CYS  25  -3.401  -3.441   5.640
  131    H    ASN  26           H        ASN  26  -3.552  -5.755   9.329
  132    HA   ASN  26           HA       ASN  26  -2.793  -4.999  11.316
  133    HB2  ASN  26           2HB      ASN  26  -0.846  -4.427   9.754
  134    HB3  ASN  26           1HB      ASN  26  -1.433  -2.768   9.798
  135   HD21  ASN  26          1HD2      ASN  26  -1.143  -1.557  11.627
  136   HD22  ASN  26          2HD2      ASN  26  -0.137  -2.052  12.943
  137    H    GLY  27           H        GLY  27  -5.313  -4.318  10.935
  138    HA2  GLY  27           2HA      GLY  27  -6.922  -3.018  11.922
  139    HA3  GLY  27           1HA      GLY  27  -5.626  -2.152  12.730
  140    H    ARG  28           H        ARG  28  -6.117  -2.409   9.234
  141    HA   ARG  28           HA       ARG  28  -7.227   0.279   9.133
  142    HE   ARG  28           HE       ARG  28  -5.115   3.952   6.494
  143    HB2  ARG  28           2HB      ARG  28  -4.665   0.386   9.118
  144    HB3  ARG  28           1HB      ARG  28  -4.755  -0.353   7.528
  145    HG2  ARG  28           2HG      ARG  28  -5.980   1.530   6.665
  146    HG3  ARG  28           1HG      ARG  28  -6.065   2.256   8.275
  147    HD2  ARG  28           2HD      ARG  28  -3.587   2.330   8.309
  148    HD3  ARG  28           1HD      ARG  28  -3.579   1.735   6.651
  149   HH11  ARG  28          1HH1      ARG  28  -1.968   3.332   7.889
  150   HH12  ARG  28          2HH1      ARG  28  -1.352   4.920   7.544
  151   HH21  ARG  28          1HH2      ARG  28  -4.314   6.072   6.042
  152   HH22  ARG  28          2HH2      ARG  28  -2.680   6.476   6.504
  153    H    SER  29           H        SER  29  -8.682   0.447   7.506
  154    HA   SER  29           HA       SER  29  -9.210  -1.982   6.030
  155    HG   SER  29           HG       SER  29 -12.041  -1.218   7.392
  156    HB2  SER  29           2HB      SER  29 -10.766   0.609   6.040
  157    HB3  SER  29           1HB      SER  29 -11.324  -0.949   5.436
  158    H    PHE  30           H        PHE  30  -8.628  -2.369   4.017
  159    HA   PHE  30           HA       PHE  30  -8.333  -0.113   2.147
  160    HD1  PHE  30           HD2      PHE  30  -5.957   1.038   2.042
  161    HD2  PHE  30           HD1      PHE  30  -5.295  -2.658   4.045
  162    HE1  PHE  30           HE2      PHE  30  -4.304   2.129   3.503
  163    HE2  PHE  30           HE1      PHE  30  -3.641  -1.574   5.508
  164    HZ   PHE  30           HZ       PHE  30  -3.140   0.821   5.236
  165    HB2  PHE  30           2HB      PHE  30  -6.625  -2.621   2.178
  166    HB3  PHE  30           1HB      PHE  30  -6.499  -1.291   1.032
  167    H    HIS  31           H        HIS  31  -8.833  -0.682  -0.079
  168    HA   HIS  31           HA       HIS  31 -10.886  -2.646  -0.399
  169    HD2  HIS  31           HD2      HIS  31 -12.940  -1.408  -0.992
  170    HE1  HIS  31           HE1      HIS  31 -12.241   2.600  -2.108
  171    HE2  HIS  31           HE2      HIS  31 -13.919   0.980  -1.132
  172    HB2  HIS  31           2HB      HIS  31  -9.294  -1.049  -2.423
  173    HB3  HIS  31           1HB      HIS  31 -10.557  -2.184  -2.883
  174    H    LYS  32           H        LYS  32 -10.757  -4.588  -1.709
  175    HA   LYS  32           HA       LYS  32  -8.461  -6.163  -1.392
  176    HB2  LYS  32           2HB      LYS  32 -10.779  -6.388  -3.312
  177    HB3  LYS  32           1HB      LYS  32  -9.500  -7.593  -3.227
  178    HG2  LYS  32           2HG      LYS  32 -10.039  -8.071  -0.928
  179    HG3  LYS  32           1HG      LYS  32 -11.245  -6.782  -0.910
  180    HD2  LYS  32           2HD      LYS  32 -12.601  -7.958  -2.514
  181    HD3  LYS  32           1HD      LYS  32 -11.356  -9.192  -2.722
  182    HE2  LYS  32           2HE      LYS  32 -12.728  -8.627  -0.098
  183    HE3  LYS  32           1HE      LYS  32 -13.276  -9.850  -1.243
  184    HZ1  LYS  32           3HZ      LYS  32 -11.775 -10.627   0.621
  185    HZ2  LYS  32           1HZ      LYS  32 -10.512  -9.827  -0.177
  186    HZ3  LYS  32           2HZ      LYS  32 -11.328 -11.094  -0.946
  187    H    THR  33           H        THR  33  -9.382  -3.878  -3.820
  188    HA   THR  33           HA       THR  33  -7.237  -4.499  -5.635
  189    HB   THR  33           HB       THR  33  -8.033  -2.129  -6.501
  190    HG1  THR  33           HG1      THR  33  -9.634  -1.368  -5.351
  191   HG21  THR  33          3HG2      THR  33  -8.333  -4.194  -7.737
  192   HG22  THR  33          1HG2      THR  33  -9.824  -3.252  -7.781
  193   HG23  THR  33          2HG2      THR  33  -9.691  -4.647  -6.707
  194    H    CYS  34           H        CYS  34  -7.324  -3.033  -2.664
  195    HA   CYS  34           HA       CYS  34  -5.081  -1.250  -3.346
  196    HB2  CYS  34           2HB      CYS  34  -7.140  -0.834  -1.169
  197    HB3  CYS  34           1HB      CYS  34  -5.847   0.280  -1.630
  198    H    PHE  35           H        PHE  35  -5.744  -4.083  -1.929
  199    HA   PHE  35           HA       PHE  35  -4.210  -3.837   0.470
  200    HD1  PHE  35           HD2      PHE  35  -4.586  -5.306   2.480
  201    HD2  PHE  35           HD1      PHE  35  -3.476  -8.029  -0.597
  202    HE1  PHE  35           HE2      PHE  35  -3.302  -6.619   4.108
  203    HE2  PHE  35           HE1      PHE  35  -2.193  -9.346   1.033
  204    HZ   PHE  35           HZ       PHE  35  -2.115  -8.638   3.383
  205    HB2  PHE  35           2HB      PHE  35  -5.903  -5.599   0.260
  206    HB3  PHE  35           1HB      PHE  35  -4.995  -6.317  -1.071
  207    H    HIS  36           H        HIS  36  -3.489  -4.172  -2.816
  208    HA   HIS  36           HA       HIS  36  -0.951  -5.437  -2.278
  209    HD1  HIS  36           HD1      HIS  36  -4.004  -5.507  -5.691
  210    HD2  HIS  36           HD2      HIS  36  -1.006  -2.626  -5.649
  211    HE1  HIS  36           HE1      HIS  36  -4.699  -3.780  -7.375
  212    HE2  HIS  36           HE2      HIS  36  -2.781  -2.156  -7.481
  213    HB2  HIS  36           2HB      HIS  36  -0.568  -5.402  -4.700
  214    HB3  HIS  36           1HB      HIS  36  -2.085  -6.174  -4.281
  215    H    CYS  37           H        CYS  37   0.985  -4.398  -3.488
  216    HA   CYS  37           HA       CYS  37   1.931  -2.690  -1.630
  217    HB2  CYS  37           2HB      CYS  37   3.254  -3.955  -3.229
  218    HB3  CYS  37           1HB      CYS  37   2.756  -2.861  -4.516
  219    H    MET  38           H        MET  38   1.917  -0.637  -1.155
  220    HA   MET  38           HA       MET  38   0.266   1.218  -2.567
  221    HB2  MET  38           2HB      MET  38   2.198   1.676  -0.286
  222    HB3  MET  38           1HB      MET  38   0.976   2.814  -0.841
  223    HG2  MET  38           2HG      MET  38   0.443   0.092   0.319
  224    HG3  MET  38           1HG      MET  38   0.269   1.626   1.168
  225    HE1  MET  38           3HE      MET  38  -2.001  -0.655   0.871
  226    HE2  MET  38           1HE      MET  38  -3.423   0.358   0.615
  227    HE3  MET  38           2HE      MET  38  -2.213   0.822   1.810
  228    H    ALA  39           H        ALA  39   3.513   0.248  -2.835
  229    HA   ALA  39           HA       ALA  39   4.357   2.808  -3.989
  230    HB1  ALA  39           3HB      ALA  39   5.826   1.806  -2.306
  231    HB2  ALA  39           1HB      ALA  39   6.621   1.930  -3.874
  232    HB3  ALA  39           2HB      ALA  39   6.004   0.374  -3.319
  233    H    CYS  40           H        CYS  40   5.107  -0.586  -4.819
  234    HA   CYS  40           HA       CYS  40   5.282   0.251  -7.600
  235    HB2  CYS  40           2HB      CYS  40   6.481  -1.746  -8.022
  236    HB3  CYS  40           1HB      CYS  40   7.066  -1.155  -6.475
  237    H    ARG  41           H        ARG  41   3.042  -1.101  -5.550
  238    HA   ARG  41           HA       ARG  41   0.925  -1.798  -5.826
  239    HE   ARG  41           HE       ARG  41  -1.410   2.029  -6.442
  240    HB2  ARG  41           2HB      ARG  41   1.473  -0.952  -8.649
  241    HB3  ARG  41           1HB      ARG  41  -0.040  -1.741  -8.222
  242    HG2  ARG  41           2HG      ARG  41   1.012   0.794  -6.977
  243    HG3  ARG  41           1HG      ARG  41  -0.232   0.704  -8.228
  244    HD2  ARG  41           2HD      ARG  41  -1.657  -0.584  -6.722
  245    HD3  ARG  41           1HD      ARG  41  -0.408  -0.532  -5.483
  246   HH11  ARG  41          1HH1      ARG  41  -1.389  -0.421  -3.935
  247   HH12  ARG  41          2HH1      ARG  41  -2.180   0.580  -2.761
  248   HH21  ARG  41          1HH2      ARG  41  -2.470   3.358  -4.901
  249   HH22  ARG  41          2HH2      ARG  41  -2.795   2.737  -3.315
  250    H    LYS  42           H        LYS  42   3.366  -3.577  -6.253
  251    HA   LYS  42           HA       LYS  42   2.482  -5.834  -7.716
  252    HB2  LYS  42           2HB      LYS  42   4.803  -5.660  -6.999
  253    HB3  LYS  42           1HB      LYS  42   4.309  -5.624  -5.310
  254    HG2  LYS  42           2HG      LYS  42   3.398  -7.919  -5.582
  255    HG3  LYS  42           1HG      LYS  42   4.069  -7.943  -7.213
  256    HD2  LYS  42           2HD      LYS  42   6.311  -7.655  -6.300
  257    HD3  LYS  42           1HD      LYS  42   5.643  -7.582  -4.665
  258    HE2  LYS  42           2HE      LYS  42   5.375  -9.922  -6.544
  259    HE3  LYS  42           1HE      LYS  42   6.559  -9.811  -5.242
  260    HZ1  LYS  42           3HZ      LYS  42   3.612  -9.711  -4.855
  261    HZ2  LYS  42           1HZ      LYS  42   4.791  -9.767  -3.641
  262    HZ3  LYS  42           2HZ      LYS  42   4.556 -11.103  -4.651
  263    H    ALA  43           H        ALA  43   1.351  -7.678  -7.015
  264    HA   ALA  43           HA       ALA  43  -0.528  -7.293  -4.896
  265    HB1  ALA  43           3HB      ALA  43  -1.287  -9.557  -5.426
  266    HB2  ALA  43           1HB      ALA  43   0.118  -9.789  -6.467
  267    HB3  ALA  43           2HB      ALA  43  -1.104  -8.589  -6.890
  268    H    LEU  44           H        LEU  44  -0.338  -7.828  -2.815
  269    HA   LEU  44           HA       LEU  44   2.040  -9.316  -1.965
  270    HG   LEU  44           HG       LEU  44   2.429  -6.344   0.186
  271    HB2  LEU  44           2HB      LEU  44   0.320  -7.257  -0.643
  272    HB3  LEU  44           1HB      LEU  44   1.204  -8.396   0.348
  273   HD11  LEU  44          1HD1      LEU  44   3.674  -8.563  -1.420
  274   HD12  LEU  44          2HD1      LEU  44   3.818  -8.278   0.316
  275   HD13  LEU  44          3HD1      LEU  44   4.558  -7.153  -0.830
  276   HD21  LEU  44          3HD2      LEU  44   3.295  -5.504  -1.935
  277   HD22  LEU  44          1HD2      LEU  44   1.534  -5.476  -1.876
  278   HD23  LEU  44          2HD2      LEU  44   2.366  -6.733  -2.792
  279    H    ASP  45           H        ASP  45   1.884 -10.978  -0.469
  280    HA   ASP  45           HA       ASP  45  -0.725 -12.299  -0.353
  281    HB2  ASP  45           2HB      ASP  45   1.935 -13.365   0.631
  282    HB3  ASP  45           1HB      ASP  45   0.455 -14.278   0.359
  283    H    SER  46           H        SER  46  -1.127 -13.427   1.836
  284    HA   SER  46           HA       SER  46  -1.277 -11.441   3.856
  285    HG   SER  46           HG       SER  46  -3.953 -13.631   3.782
  286    HB2  SER  46           2HB      SER  46  -1.635 -14.417   4.244
  287    HB3  SER  46           1HB      SER  46  -2.384 -13.109   5.160
  288    H    THR  47           H        THR  47   1.114 -13.683   2.938
  289    HA   THR  47           HA       THR  47   2.389 -13.696   5.573
  290    HB   THR  47           HB       THR  47   3.430 -15.209   3.200
  291    HG1  THR  47           HG1      THR  47   1.691 -16.404   3.153
  292   HG21  THR  47          3HG2      THR  47   4.724 -15.205   5.283
  293   HG22  THR  47          1HG2      THR  47   4.103 -16.816   4.919
  294   HG23  THR  47          2HG2      THR  47   3.324 -15.826   6.156
  295    H    THR  48           H        THR  48   2.743 -12.262   2.416
  296    HA   THR  48           HA       THR  48   5.617 -11.888   2.841
  297    HB   THR  48           HB       THR  48   5.621 -11.196   0.410
  298    HG1  THR  48           HG1      THR  48   3.577 -12.327  -0.583
  299   HG21  THR  48          3HG2      THR  48   6.323 -13.427   1.156
  300   HG22  THR  48          1HG2      THR  48   5.510 -13.497  -0.406
  301   HG23  THR  48          2HG2      THR  48   4.653 -13.985   1.056
  302    H    VAL  49           H        VAL  49   2.813 -10.143   3.283
  303    HA   VAL  49           HA       VAL  49   3.716  -7.599   2.349
  304    HB   VAL  49           HB       VAL  49   1.396  -7.717   2.456
  305   HG11  VAL  49          1HG1      VAL  49   0.122  -8.434   4.439
  306   HG12  VAL  49          2HG1      VAL  49   1.637  -8.769   5.279
  307   HG13  VAL  49          3HG1      VAL  49   1.194  -9.708   3.853
  308   HG21  VAL  49          3HG2      VAL  49   2.184  -5.610   3.358
  309   HG22  VAL  49          1HG2      VAL  49   2.228  -6.297   4.981
  310   HG23  VAL  49          2HG2      VAL  49   0.685  -6.095   4.151
  311    H    ALA  50           H        ALA  50   4.875  -6.089   3.319
  312    HA   ALA  50           HA       ALA  50   5.683  -6.508   6.113
  313    HB1  ALA  50           3HB      ALA  50   7.496  -6.318   4.451
  314    HB2  ALA  50           1HB      ALA  50   7.535  -5.009   5.633
  315    HB3  ALA  50           2HB      ALA  50   6.903  -4.713   4.014
  316    H    ALA  51           H        ALA  51   4.366  -5.469   7.470
  317    HA   ALA  51           HA       ALA  51   3.367  -2.818   6.692
  318    HB1  ALA  51           3HB      ALA  51   1.638  -4.519   7.088
  319    HB2  ALA  51           1HB      ALA  51   1.531  -3.176   8.227
  320    HB3  ALA  51           2HB      ALA  51   2.228  -4.713   8.739
  321    H    HIS  52           H        HIS  52   4.707  -1.332   7.490
  322    HA   HIS  52           HA       HIS  52   5.769  -1.644  10.211
  323    HD1  HIS  52           HD1      HIS  52   9.151  -1.294   9.905
  324    HD2  HIS  52           HD2      HIS  52   6.900   2.145  10.550
  325    HE1  HIS  52           HE1      HIS  52  10.382   0.004  11.666
  326    HE2  HIS  52           HE2      HIS  52   8.888   1.958  12.200
  327    HB2  HIS  52           2HB      HIS  52   7.280  -1.033   8.256
  328    HB3  HIS  52           1HB      HIS  52   6.451   0.517   8.204
  329    H    GLU  53           H        GLU  53   4.616  -0.784  11.788
  330    HA   GLU  53           HA       GLU  53   3.190   0.502  12.980
  331    HB2  GLU  53           2HB      GLU  53   3.790   2.626  10.914
  332    HB3  GLU  53           1HB      GLU  53   2.937   2.898  12.426
  333    HG2  GLU  53           2HG      GLU  53   5.801   2.070  12.076
  334    HG3  GLU  53           1HG      GLU  53   5.198   3.620  12.658
  335    H    SER  54           H        SER  54   2.361   1.940   9.842
  336    HA   SER  54           HA       SER  54  -0.043   0.309   9.675
  337    HG   SER  54           HG       SER  54  -2.337   1.521  10.129
  338    HB2  SER  54           2HB      SER  54  -0.578   2.359  11.074
  339    HB3  SER  54           1HB      SER  54  -0.242   3.331   9.643
  340    H    GLU  55           H        GLU  55   2.485   0.708   8.213
  341    HA   GLU  55           HA       GLU  55   1.398   1.559   5.603
  342    HB2  GLU  55           2HB      GLU  55   4.197   1.867   6.701
  343    HB3  GLU  55           1HB      GLU  55   3.779   2.129   5.012
  344    HG2  GLU  55           2HG      GLU  55   2.403   3.979   5.547
  345    HG3  GLU  55           1HG      GLU  55   2.474   3.617   7.272
  346    H    ILE  56           H        ILE  56   1.251  -0.026   4.176
  347    HA   ILE  56           HA       ILE  56   2.746  -2.507   4.668
  348    HB   ILE  56           HB       ILE  56   0.696  -3.407   4.665
  349   HG12  ILE  56          2HG1      ILE  56   0.720  -2.754   1.711
  350   HG13  ILE  56          1HG1      ILE  56   1.513  -4.137   2.457
  351   HG21  ILE  56          1HG2      ILE  56  -0.366  -1.254   4.955
  352   HG22  ILE  56          2HG2      ILE  56  -1.332  -2.271   3.886
  353   HG23  ILE  56          3HG2      ILE  56  -0.337  -0.979   3.211
  354   HD11  ILE  56          3HD1      ILE  56  -0.599  -4.761   1.415
  355   HD12  ILE  56          1HD1      ILE  56  -1.451  -3.610   2.444
  356   HD13  ILE  56          2HD1      ILE  56  -0.651  -5.008   3.160
  357    H    TYR  57           H        TYR  57   4.145  -3.266   3.219
  358    HA   TYR  57           HA       TYR  57   3.929  -2.535   0.406
  359    HD1  TYR  57           HD2      TYR  57   5.082  -0.106  -0.764
  360    HD2  TYR  57           HD1      TYR  57   5.777  -0.309   3.429
  361    HE1  TYR  57           HE2      TYR  57   4.536   2.279  -0.562
  362    HE2  TYR  57           HE1      TYR  57   5.234   2.075   3.639
  363    HH   TYR  57           HH       TYR  57   4.071   3.946   0.868
  364    HB2  TYR  57           2HB      TYR  57   6.460  -2.090   2.012
  365    HB3  TYR  57           1HB      TYR  57   6.344  -1.973   0.264
  366    H    CYS  58           H        CYS  58   5.632  -3.749  -0.900
  367    HA   CYS  58           HA       CYS  58   5.866  -6.478  -0.329
  368    HB2  CYS  58           2HB      CYS  58   7.813  -4.809  -1.907
  369    HB3  CYS  58           1HB      CYS  58   7.569  -6.536  -2.057
  370    H    LYS  59           H        LYS  59   7.933  -7.652   0.162
  371    HA   LYS  59           HA       LYS  59   9.392  -6.462   2.329
  372    HB2  LYS  59           2HB      LYS  59   9.851  -9.011   0.777
  373    HB3  LYS  59           1HB      LYS  59  10.816  -8.519   2.162
  374    HG2  LYS  59           2HG      LYS  59   8.703  -8.497   3.504
  375    HG3  LYS  59           1HG      LYS  59   7.898  -9.236   2.114
  376    HD2  LYS  59           2HD      LYS  59   9.492 -11.092   2.194
  377    HD3  LYS  59           1HD      LYS  59  10.270 -10.360   3.596
  378    HE2  LYS  59           2HE      LYS  59   8.114 -10.517   4.811
  379    HE3  LYS  59           1HE      LYS  59   7.441 -11.376   3.423
  380    HZ1  LYS  59           3HZ      LYS  59   8.160 -12.959   5.043
  381    HZ2  LYS  59           1HZ      LYS  59   9.702 -12.255   5.131
  382    HZ3  LYS  59           2HZ      LYS  59   9.208 -13.047   3.715
  383    H    VAL  60           H        VAL  60   9.829  -6.928  -1.096
  384    HA   VAL  60           HA       VAL  60  12.530  -6.060  -1.245
  385    HB   VAL  60           HB       VAL  60  10.351  -5.877  -3.347
  386   HG11  VAL  60          1HG1      VAL  60  12.286  -4.394  -3.784
  387   HG12  VAL  60          2HG1      VAL  60  12.132  -5.690  -4.969
  388   HG13  VAL  60          3HG1      VAL  60  13.350  -5.800  -3.699
  389   HG21  VAL  60          3HG2      VAL  60  12.434  -7.996  -2.831
  390   HG22  VAL  60          1HG2      VAL  60  11.363  -7.942  -4.233
  391   HG23  VAL  60          2HG2      VAL  60  10.690  -8.159  -2.617
  392    H    CYS  61           H        CYS  61   9.420  -4.410  -1.479
  393    HA   CYS  61           HA       CYS  61  10.524  -1.839  -1.958
  394    HB2  CYS  61           2HB      CYS  61   7.778  -2.815  -1.175
  395    HB3  CYS  61           1HB      CYS  61   8.144  -1.100  -1.379
  396    H    TYR  62           H        TYR  62   9.328  -3.484   0.943
  397    HA   TYR  62           HA       TYR  62   9.780  -1.374   2.756
  398    HD1  TYR  62           HD2      TYR  62   8.101  -1.711   5.048
  399    HD2  TYR  62           HD1      TYR  62  11.369  -4.434   5.145
  400    HE1  TYR  62           HE2      TYR  62   8.414  -1.244   7.441
  401    HE2  TYR  62           HE1      TYR  62  11.687  -3.970   7.536
  402    HH   TYR  62           HH       TYR  62   9.385  -2.202   9.397
  403    HB2  TYR  62           2HB      TYR  62   8.463  -3.418   3.261
  404    HB3  TYR  62           1HB      TYR  62   9.947  -4.359   3.245
  405    H    GLY  63           H        GLY  63  11.819  -4.006   1.588
  406    HA2  GLY  63           2HA      GLY  63  14.075  -3.326   3.203
  407    HA3  GLY  63           1HA      GLY  63  14.056  -4.447   1.849
  408    H    ARG  64           H        ARG  64  12.811  -1.973   0.346
  409    HA   ARG  64           HA       ARG  64  15.355  -0.896  -0.528
  410    HE   ARG  64           HE       ARG  64  14.789   2.205  -4.458
  411    HB2  ARG  64           2HB      ARG  64  13.526  -1.401  -2.146
  412    HB3  ARG  64           1HB      ARG  64  12.557  -0.140  -1.395
  413    HG2  ARG  64           2HG      ARG  64  14.253   1.518  -2.016
  414    HG3  ARG  64           1HG      ARG  64  15.192   0.247  -2.801
  415    HD2  ARG  64           2HD      ARG  64  13.155  -0.198  -4.229
  416    HD3  ARG  64           1HD      ARG  64  12.478   1.291  -3.570
  417   HH11  ARG  64          1HH1      ARG  64  12.442   0.112  -5.991
  418   HH12  ARG  64          2HH1      ARG  64  12.990   0.461  -7.608
  419   HH21  ARG  64          1HH2      ARG  64  15.490   2.707  -6.584
  420   HH22  ARG  64          2HH2      ARG  64  14.706   1.967  -7.948
  421    H    ARG  65           H        ARG  65  12.359   0.291   0.919
  422    HA   ARG  65           HA       ARG  65  13.134   2.925   1.407
  423    HE   ARG  65           HE       ARG  65  10.150   4.327   5.527
  424    HB2  ARG  65           2HB      ARG  65  10.832   2.212   1.624
  425    HB3  ARG  65           1HB      ARG  65  11.253   1.106   2.919
  426    HG2  ARG  65           2HG      ARG  65  11.728   2.939   4.402
  427    HG3  ARG  65           1HG      ARG  65  11.486   4.103   3.095
  428    HD2  ARG  65           2HD      ARG  65   9.170   3.573   2.946
  429    HD3  ARG  65           1HD      ARG  65   9.355   2.186   4.019
  430   HH11  ARG  65          1HH1      ARG  65   7.257   3.576   3.702
  431   HH12  ARG  65          2HH1      ARG  65   6.190   4.392   4.810
  432   HH21  ARG  65          1HH2      ARG  65   8.751   5.388   6.983
  433   HH22  ARG  65          2HH2      ARG  65   7.041   5.416   6.668
  434    H    TYR  66           H        TYR  66  13.567  -0.003   3.315
  435    HA   TYR  66           HA       TYR  66  15.305   1.464   5.175
  436    HD1  TYR  66           HD2      TYR  66  11.737  -0.164   5.198
  437    HD2  TYR  66           HD1      TYR  66  14.549   1.026   8.168
  438    HE1  TYR  66           HE2      TYR  66   9.949   0.988   6.430
  439    HE2  TYR  66           HE1      TYR  66  12.764   2.173   9.405
  440    HH   TYR  66           HH       TYR  66  10.560   3.170   8.950
  441    HB2  TYR  66           2HB      TYR  66  13.959  -1.235   5.380
  442    HB3  TYR  66           1HB      TYR  66  15.135  -0.649   6.551
  Start of MODEL    7
    1    H1   GLY   7           1H       GLY   7 -20.393   4.196   4.802
    2    HA2  GLY   7           2HA      GLY   7 -20.019   1.850   6.247
    3    HA3  GLY   7           1HA      GLY   7 -19.378   1.559   4.635
    4    H    ALA   8           H        ALA   8 -17.277   1.358   5.380
    5    HA   ALA   8           HA       ALA   8 -16.055   3.626   6.763
    6    HB1  ALA   8           3HB      ALA   8 -15.609   1.359   7.595
    7    HB2  ALA   8           1HB      ALA   8 -14.130   2.146   7.040
    8    HB3  ALA   8           2HB      ALA   8 -14.913   0.928   6.035
    9    H    LYS   9           H        LYS   9 -13.492   3.625   5.835
   10    HA   LYS   9           HA       LYS   9 -13.783   4.111   2.955
   11    HB2  LYS   9           2HB      LYS   9 -12.565   6.135   3.054
   12    HB3  LYS   9           1HB      LYS   9 -13.760   6.249   4.335
   13    HG2  LYS   9           2HG      LYS   9 -12.116   5.818   6.004
   14    HG3  LYS   9           1HG      LYS   9 -10.905   5.409   4.785
   15    HD2  LYS   9           2HD      LYS   9 -12.198   8.119   5.120
   16    HD3  LYS   9           1HD      LYS   9 -10.597   7.677   5.719
   17    HE2  LYS   9           2HE      LYS   9 -11.409   7.538   2.816
   18    HE3  LYS   9           1HE      LYS   9 -10.612   8.930   3.545
   19    HZ1  LYS   9           3HZ      LYS   9  -9.481   6.181   3.463
   20    HZ2  LYS   9           1HZ      LYS   9  -8.705   7.566   4.055
   21    HZ3  LYS   9           2HZ      LYS   9  -9.062   7.426   2.405
   22    H    CYS  10           H        CYS  10 -11.875   3.885   1.753
   23    HA   CYS  10           HA       CYS  10 -10.238   1.720   2.570
   24    HB2  CYS  10           2HB      CYS  10 -10.926   2.217   0.239
   25    HB3  CYS  10           1HB      CYS  10  -9.916   3.650   0.267
   26    H    GLY  11           H        GLY  11  -8.361   1.731   3.580
   27    HA2  GLY  11           2HA      GLY  11  -7.109   4.101   4.519
   28    HA3  GLY  11           1HA      GLY  11  -6.431   2.480   4.583
   29    H    ALA  12           H        ALA  12  -7.093   2.718   1.459
   30    HA   ALA  12           HA       ALA  12  -4.530   4.008   0.803
   31    HB1  ALA  12           3HB      ALA  12  -4.642   1.628   0.216
   32    HB2  ALA  12           1HB      ALA  12  -4.492   2.645  -1.218
   33    HB3  ALA  12           2HB      ALA  12  -6.055   1.949  -0.789
   34    H    CYS  13           H        CYS  13  -7.867   3.583  -0.336
   35    HA   CYS  13           HA       CYS  13  -7.638   5.808  -2.188
   36    HB2  CYS  13           2HB      CYS  13 -10.058   4.184  -1.362
   37    HB3  CYS  13           1HB      CYS  13 -10.013   5.352  -2.673
   38    H    GLU  14           H        GLU  14  -9.522   7.406  -2.136
   39    HA   GLU  14           HA       GLU  14 -10.235   8.159   0.618
   40    HB2  GLU  14           2HB      GLU  14 -10.673   9.723  -1.936
   41    HB3  GLU  14           1HB      GLU  14 -10.897  10.304  -0.292
   42    HG2  GLU  14           2HG      GLU  14  -8.478  10.013   0.101
   43    HG3  GLU  14           1HG      GLU  14  -8.289   9.548  -1.587
   44    H    LYS  15           H        LYS  15 -11.131   6.057  -1.439
   45    HA   LYS  15           HA       LYS  15 -13.955   6.633  -1.762
   46    HB2  LYS  15           2HB      LYS  15 -12.387   4.150  -2.505
   47    HB3  LYS  15           1HB      LYS  15 -14.019   4.545  -3.027
   48    HG2  LYS  15           2HG      LYS  15 -11.498   6.021  -3.758
   49    HG3  LYS  15           1HG      LYS  15 -12.446   4.966  -4.809
   50    HD2  LYS  15           2HD      LYS  15 -14.339   6.499  -4.644
   51    HD3  LYS  15           1HD      LYS  15 -13.411   7.540  -3.563
   52    HE2  LYS  15           2HE      LYS  15 -13.359   8.465  -5.784
   53    HE3  LYS  15           1HE      LYS  15 -11.754   7.863  -5.374
   54    HZ1  LYS  15           3HZ      LYS  15 -13.730   6.326  -6.966
   55    HZ2  LYS  15           1HZ      LYS  15 -12.096   5.948  -6.721
   56    HZ3  LYS  15           2HZ      LYS  15 -12.523   7.299  -7.653
   57    H    THR  16           H        THR  16 -15.278   4.437  -1.401
   58    HA   THR  16           HA       THR  16 -15.159   4.094   1.488
   59    HB   THR  16           HB       THR  16 -17.449   2.956   0.882
   60    HG1  THR  16           HG1      THR  16 -18.283   3.538  -1.021
   61   HG21  THR  16          3HG2      THR  16 -17.198   4.946   2.279
   62   HG22  THR  16          1HG2      THR  16 -18.549   5.138   1.163
   63   HG23  THR  16          2HG2      THR  16 -17.015   5.944   0.836
   64    H    VAL  17           H        VAL  17 -15.073   2.175   2.515
   65    HA   VAL  17           HA       VAL  17 -14.719  -0.256   0.882
   66    HB   VAL  17           HB       VAL  17 -13.392   0.608   3.439
   67   HG11  VAL  17          1HG1      VAL  17 -13.622  -2.242   2.471
   68   HG12  VAL  17          2HG1      VAL  17 -14.306  -1.592   3.961
   69   HG13  VAL  17          3HG1      VAL  17 -12.556  -1.686   3.761
   70   HG21  VAL  17          3HG2      VAL  17 -12.256   1.035   1.344
   71   HG22  VAL  17          1HG2      VAL  17 -12.389  -0.671   0.911
   72   HG23  VAL  17          2HG2      VAL  17 -11.391  -0.182   2.283
   73    H    TYR  18           H        TYR  18 -15.988  -2.004   1.341
   74    HA   TYR  18           HA       TYR  18 -17.953  -1.652   3.509
   75    HD1  TYR  18           HD1      TYR  18 -20.111  -0.214   2.472
   76    HD2  TYR  18           HD2      TYR  18 -17.914  -1.697  -0.856
   77    HE1  TYR  18           HE1      TYR  18 -20.526   1.890   1.266
   78    HE2  TYR  18           HE2      TYR  18 -18.326   0.400  -2.074
   79    HH   TYR  18           HH       TYR  18 -19.962   2.251  -2.061
   80    HB2  TYR  18           2HB      TYR  18 -18.421  -3.143   0.920
   81    HB3  TYR  18           1HB      TYR  18 -19.619  -2.698   2.132
   82    H    HIS  19           H        HIS  19 -19.095  -4.157   3.526
   83    HA   HIS  19           HA       HIS  19 -17.095  -5.676   4.861
   84    HD1  HIS  19           HD1      HIS  19 -20.191  -8.964   4.273
   85    HD2  HIS  19           HD2      HIS  19 -20.836  -5.189   2.648
   86    HE1  HIS  19           HE1      HIS  19 -21.970  -9.271   2.518
   87    HE2  HIS  19           HE2      HIS  19 -22.125  -7.032   1.378
   88    HB2  HIS  19           2HB      HIS  19 -18.795  -7.258   5.363
   89    HB3  HIS  19           1HB      HIS  19 -19.566  -5.678   5.401
   90    H    ALA  20           H        ALA  20 -17.941  -5.454   1.599
   91    HA   ALA  20           HA       ALA  20 -17.585  -8.169   0.809
   92    HB1  ALA  20           3HB      ALA  20 -17.662  -7.288  -1.461
   93    HB2  ALA  20           1HB      ALA  20 -17.500  -5.645  -0.836
   94    HB3  ALA  20           2HB      ALA  20 -18.945  -6.592  -0.472
   95    H    GLU  21           H        GLU  21 -15.612  -5.250   0.379
   96    HA   GLU  21           HA       GLU  21 -13.370  -6.980  -0.425
   97    HB2  GLU  21           2HB      GLU  21 -12.554  -5.029  -1.698
   98    HB3  GLU  21           1HB      GLU  21 -14.149  -5.532  -2.219
   99    HG2  GLU  21           2HG      GLU  21 -13.683  -3.275  -0.291
  100    HG3  GLU  21           1HG      GLU  21 -13.767  -3.054  -2.035
  101    H    GLU  22           H        GLU  22 -13.934  -6.499   2.287
  102    HA   GLU  22           HA       GLU  22 -12.177  -4.370   3.186
  103    HB2  GLU  22           2HB      GLU  22 -14.304  -4.672   4.319
  104    HB3  GLU  22           1HB      GLU  22 -13.892  -6.335   4.712
  105    HG2  GLU  22           2HG      GLU  22 -12.034  -5.521   6.107
  106    HG3  GLU  22           1HG      GLU  22 -12.515  -3.864   5.742
  107    H    ILE  23           H        ILE  23 -10.060  -4.765   3.242
  108    HA   ILE  23           HA       ILE  23  -9.236  -7.149   4.778
  109    HB   ILE  23           HB       ILE  23  -7.755  -5.743   2.551
  110   HG12  ILE  23          2HG1      ILE  23  -8.125  -8.698   2.975
  111   HG13  ILE  23          1HG1      ILE  23  -9.358  -7.730   2.160
  112   HG21  ILE  23          1HG2      ILE  23  -6.222  -5.996   4.437
  113   HG22  ILE  23          2HG2      ILE  23  -5.792  -7.092   3.124
  114   HG23  ILE  23          3HG2      ILE  23  -6.629  -7.709   4.548
  115   HD11  ILE  23          3HD1      ILE  23  -6.504  -8.138   1.295
  116   HD12  ILE  23          1HD1      ILE  23  -7.657  -7.066   0.500
  117   HD13  ILE  23          2HD1      ILE  23  -7.952  -8.805   0.537
  118    H    GLN  24           H        GLN  24  -8.530  -6.619   6.750
  119    HA   GLN  24           HA       GLN  24  -7.691  -3.841   7.174
  120    HB2  GLN  24           2HB      GLN  24  -8.837  -5.842   9.116
  121    HB3  GLN  24           1HB      GLN  24  -8.239  -4.254   9.576
  122    HG2  GLN  24           2HG      GLN  24  -9.908  -3.267   8.001
  123    HG3  GLN  24           1HG      GLN  24 -10.569  -4.886   7.788
  124   HE21  GLN  24          1HE2      GLN  24 -10.061  -5.615  10.567
  125   HE22  GLN  24          2HE2      GLN  24 -11.277  -4.811  11.493
  126    H    CYS  25           H        CYS  25  -5.625  -3.532   7.337
  127    HA   CYS  25           HA       CYS  25  -3.952  -5.671   8.457
  128    HG   CYS  25           HG       CYS  25  -0.626  -3.699   7.054
  129    HB2  CYS  25           2HB      CYS  25  -3.398  -4.955   6.147
  130    HB3  CYS  25           1HB      CYS  25  -3.130  -3.321   6.737
  131    H    ASN  26           H        ASN  26  -3.976  -5.313  10.581
  132    HA   ASN  26           HA       ASN  26  -3.256  -4.479  12.552
  133    HB2  ASN  26           2HB      ASN  26  -1.226  -3.760  11.318
  134    HB3  ASN  26           1HB      ASN  26  -2.009  -2.220  10.981
  135   HD21  ASN  26          1HD2      ASN  26  -0.492  -1.030  12.079
  136   HD22  ASN  26          2HD2      ASN  26  -0.341  -1.058  13.803
  137    H    GLY  27           H        GLY  27  -3.944  -1.484  10.699
  138    HA2  GLY  27           2HA      GLY  27  -6.256  -1.016  12.421
  139    HA3  GLY  27           1HA      GLY  27  -4.941   0.139  12.542
  140    H    ARG  28           H        ARG  28  -5.252  -1.122   9.402
  141    HA   ARG  28           HA       ARG  28  -6.972   1.133   8.625
  142    HE   ARG  28           HE       ARG  28  -4.098   3.075   5.656
  143    HB2  ARG  28           2HB      ARG  28  -4.381   0.320   7.292
  144    HB3  ARG  28           1HB      ARG  28  -5.538   1.447   6.595
  145    HG2  ARG  28           2HG      ARG  28  -5.208   2.994   8.392
  146    HG3  ARG  28           1HG      ARG  28  -4.192   1.841   9.259
  147    HD2  ARG  28           2HD      ARG  28  -2.722   3.390   8.248
  148    HD3  ARG  28           1HD      ARG  28  -2.628   1.924   7.280
  149   HH11  ARG  28          1HH1      ARG  28  -2.433   5.021   8.022
  150   HH12  ARG  28          2HH1      ARG  28  -2.252   6.396   6.969
  151   HH21  ARG  28          1HH2      ARG  28  -3.906   4.901   4.254
  152   HH22  ARG  28          2HH2      ARG  28  -3.094   6.331   4.831
  153    H    SER  29           H        SER  29  -8.570   0.632   7.284
  154    HA   SER  29           HA       SER  29  -8.746  -2.107   6.299
  155    HG   SER  29           HG       SER  29 -11.197  -1.800   8.156
  156    HB2  SER  29           2HB      SER  29 -10.871   0.042   6.198
  157    HB3  SER  29           1HB      SER  29 -11.096  -1.701   6.063
  158    H    PHE  30           H        PHE  30  -8.030  -2.489   4.300
  159    HA   PHE  30           HA       PHE  30  -8.172  -0.326   2.304
  160    HD1  PHE  30           HD2      PHE  30  -5.555   0.725   1.972
  161    HD2  PHE  30           HD1      PHE  30  -5.282  -2.868   4.232
  162    HE1  PHE  30           HE2      PHE  30  -3.825   1.751   3.388
  163    HE2  PHE  30           HE1      PHE  30  -3.555  -1.846   5.655
  164    HZ   PHE  30           HZ       PHE  30  -2.822   0.462   5.231
  165    HB2  PHE  30           2HB      PHE  30  -6.482  -2.839   2.219
  166    HB3  PHE  30           1HB      PHE  30  -6.391  -1.473   1.116
  167    H    HIS  31           H        HIS  31  -8.700  -0.970   0.092
  168    HA   HIS  31           HA       HIS  31 -10.815  -2.855  -0.142
  169    HD2  HIS  31           HD2      HIS  31 -12.834  -1.732  -0.906
  170    HE1  HIS  31           HE1      HIS  31 -12.153   2.188  -2.299
  171    HE2  HIS  31           HE2      HIS  31 -13.782   0.665  -1.132
  172    HB2  HIS  31           2HB      HIS  31  -9.140  -1.422  -2.211
  173    HB3  HIS  31           1HB      HIS  31 -10.363  -2.601  -2.663
  174    H    LYS  32           H        LYS  32 -10.777  -4.879  -1.291
  175    HA   LYS  32           HA       LYS  32  -8.656  -6.606  -0.808
  176    HB2  LYS  32           2HB      LYS  32 -10.958  -7.320  -1.437
  177    HB3  LYS  32           1HB      LYS  32 -10.648  -6.784  -3.082
  178    HG2  LYS  32           2HG      LYS  32  -8.814  -8.429  -3.235
  179    HG3  LYS  32           1HG      LYS  32  -9.234  -9.004  -1.619
  180    HD2  LYS  32           2HD      LYS  32 -11.489  -9.568  -2.430
  181    HD3  LYS  32           1HD      LYS  32 -11.025  -9.030  -4.046
  182    HE2  LYS  32           2HE      LYS  32 -10.852 -11.425  -3.940
  183    HE3  LYS  32           1HE      LYS  32  -9.232 -10.741  -4.053
  184    HZ1  LYS  32           3HZ      LYS  32 -10.554 -11.723  -1.578
  185    HZ2  LYS  32           1HZ      LYS  32  -9.009 -11.024  -1.648
  186    HZ3  LYS  32           2HZ      LYS  32  -9.305 -12.502  -2.422
  187    H    THR  33           H        THR  33  -9.394  -4.626  -3.620
  188    HA   THR  33           HA       THR  33  -7.177  -5.439  -5.196
  189    HB   THR  33           HB       THR  33  -8.630  -2.790  -5.336
  190    HG1  THR  33           HG1      THR  33 -10.193  -4.400  -5.450
  191   HG21  THR  33          3HG2      THR  33  -8.062  -2.902  -7.719
  192   HG22  THR  33          1HG2      THR  33  -7.202  -4.416  -7.444
  193   HG23  THR  33          2HG2      THR  33  -6.614  -2.922  -6.712
  194    H    CYS  34           H        CYS  34  -7.573  -3.167  -2.596
  195    HA   CYS  34           HA       CYS  34  -5.100  -1.766  -3.240
  196    HB2  CYS  34           2HB      CYS  34  -7.172  -1.228  -1.106
  197    HB3  CYS  34           1HB      CYS  34  -5.793  -0.194  -1.488
  198    H    PHE  35           H        PHE  35  -5.234  -4.569  -2.167
  199    HA   PHE  35           HA       PHE  35  -3.893  -4.189   0.392
  200    HD1  PHE  35           HD2      PHE  35  -4.174  -5.226   2.381
  201    HD2  PHE  35           HD1      PHE  35  -3.437  -8.566  -0.145
  202    HE1  PHE  35           HE2      PHE  35  -3.027  -6.372   4.234
  203    HE2  PHE  35           HE1      PHE  35  -2.288  -9.716   1.696
  204    HZ   PHE  35           HZ       PHE  35  -2.053  -8.525   3.917
  205    HB2  PHE  35           2HB      PHE  35  -5.616  -5.977   0.157
  206    HB3  PHE  35           1HB      PHE  35  -4.559  -6.791  -0.995
  207    H    HIS  36           H        HIS  36  -3.039  -4.192  -2.797
  208    HA   HIS  36           HA       HIS  36  -0.509  -5.561  -2.351
  209    HD1  HIS  36           HD1      HIS  36  -3.403  -5.197  -5.893
  210    HD2  HIS  36           HD2      HIS  36  -0.496  -2.307  -5.251
  211    HE1  HIS  36           HE1      HIS  36  -4.086  -3.239  -7.309
  212    HE2  HIS  36           HE2      HIS  36  -2.386  -1.453  -6.804
  213    HB2  HIS  36           2HB      HIS  36  -0.052  -5.221  -4.735
  214    HB3  HIS  36           1HB      HIS  36  -1.584  -6.032  -4.472
  215    H    CYS  37           H        CYS  37   1.414  -4.271  -3.569
  216    HA   CYS  37           HA       CYS  37   2.177  -2.584  -1.501
  217    HB2  CYS  37           2HB      CYS  37   3.670  -3.892  -3.029
  218    HB3  CYS  37           1HB      CYS  37   3.420  -2.644  -4.242
  219    H    MET  38           H        MET  38   1.987  -0.569  -1.069
  220    HA   MET  38           HA       MET  38   0.572   1.277  -2.732
  221    HB2  MET  38           2HB      MET  38   2.150   1.810  -0.208
  222    HB3  MET  38           1HB      MET  38   0.926   2.855  -0.918
  223    HG2  MET  38           2HG      MET  38   0.452   0.107   0.210
  224    HG3  MET  38           1HG      MET  38   0.071   1.632   1.005
  225    HE1  MET  38           3HE      MET  38  -1.928  -0.869   0.400
  226    HE2  MET  38           1HE      MET  38  -3.399   0.026   0.007
  227    HE3  MET  38           2HE      MET  38  -2.378   0.552   1.344
  228    H    ALA  39           H        ALA  39   3.915   0.533  -2.129
  229    HA   ALA  39           HA       ALA  39   4.914   3.115  -2.901
  230    HB1  ALA  39           3HB      ALA  39   6.390   0.534  -2.418
  231    HB2  ALA  39           1HB      ALA  39   6.082   1.800  -1.229
  232    HB3  ALA  39           2HB      ALA  39   7.127   2.125  -2.613
  233    H    CYS  40           H        CYS  40   5.182  -0.157  -4.348
  234    HA   CYS  40           HA       CYS  40   5.727   1.204  -6.879
  235    HB2  CYS  40           2HB      CYS  40   6.541  -0.957  -7.731
  236    HB3  CYS  40           1HB      CYS  40   7.424  -0.447  -6.302
  237    H    ARG  41           H        ARG  41   4.448  -2.004  -6.657
  238    HA   ARG  41           HA       ARG  41   1.749  -1.595  -6.375
  239    HE   ARG  41           HE       ARG  41  -1.827   0.508  -8.023
  240    HB2  ARG  41           2HB      ARG  41   2.384  -0.478  -8.791
  241    HB3  ARG  41           1HB      ARG  41   1.935  -2.109  -9.270
  242    HG2  ARG  41           2HG      ARG  41   0.035  -0.562  -9.359
  243    HG3  ARG  41           1HG      ARG  41  -0.225  -1.864  -8.195
  244    HD2  ARG  41           2HD      ARG  41   0.444  -0.361  -6.373
  245    HD3  ARG  41           1HD      ARG  41   0.690   0.937  -7.537
  246   HH11  ARG  41          1HH1      ARG  41  -0.293   0.275  -4.868
  247   HH12  ARG  41          2HH1      ARG  41  -1.713   0.774  -4.003
  248   HH21  ARG  41          1HH2      ARG  41  -3.694   1.157  -6.878
  249   HH22  ARG  41          2HH2      ARG  41  -3.654   1.283  -5.143
  250    H    LYS  42           H        LYS  42   4.128  -3.436  -6.165
  251    HA   LYS  42           HA       LYS  42   3.654  -5.864  -7.475
  252    HB2  LYS  42           2HB      LYS  42   5.714  -5.353  -6.222
  253    HB3  LYS  42           1HB      LYS  42   4.804  -5.329  -4.721
  254    HG2  LYS  42           2HG      LYS  42   5.931  -7.395  -4.804
  255    HG3  LYS  42           1HG      LYS  42   4.236  -7.739  -5.149
  256    HD2  LYS  42           2HD      LYS  42   4.807  -7.685  -7.581
  257    HD3  LYS  42           1HD      LYS  42   6.506  -7.554  -7.119
  258    HE2  LYS  42           2HE      LYS  42   5.956  -9.861  -7.605
  259    HE3  LYS  42           1HE      LYS  42   6.310  -9.671  -5.887
  260    HZ1  LYS  42           3HZ      LYS  42   4.337 -11.062  -6.354
  261    HZ2  LYS  42           1HZ      LYS  42   3.568  -9.706  -7.020
  262    HZ3  LYS  42           2HZ      LYS  42   3.998  -9.722  -5.378
  263    H    ALA  43           H        ALA  43   2.218  -7.500  -7.115
  264    HA   ALA  43           HA       ALA  43  -0.033  -7.024  -5.431
  265    HB1  ALA  43           3HB      ALA  43  -0.769  -9.247  -6.157
  266    HB2  ALA  43           1HB      ALA  43   0.810  -9.529  -6.888
  267    HB3  ALA  43           2HB      ALA  43  -0.242  -8.262  -7.522
  268    H    LEU  44           H        LEU  44  -0.251  -7.480  -3.335
  269    HA   LEU  44           HA       LEU  44   1.734  -9.237  -2.078
  270    HG   LEU  44           HG       LEU  44   2.293  -6.457   0.220
  271    HB2  LEU  44           2HB      LEU  44   0.213  -6.868  -1.111
  272    HB3  LEU  44           1HB      LEU  44   0.615  -8.117   0.050
  273   HD11  LEU  44          1HD1      LEU  44   3.370  -8.728  -1.454
  274   HD12  LEU  44          2HD1      LEU  44   3.134  -8.745   0.292
  275   HD13  LEU  44          3HD1      LEU  44   4.325  -7.661  -0.426
  276   HD21  LEU  44          3HD2      LEU  44   1.915  -5.311  -1.883
  277   HD22  LEU  44          1HD2      LEU  44   2.618  -6.660  -2.772
  278   HD23  LEU  44          2HD2      LEU  44   3.625  -5.699  -1.690
  279    H    ASP  45           H        ASP  45   1.160 -10.999  -1.040
  280    HA   ASP  45           HA       ASP  45  -1.686 -11.505  -0.500
  281    HB2  ASP  45           2HB      ASP  45   0.700 -13.375  -0.607
  282    HB3  ASP  45           1HB      ASP  45  -0.896 -13.864  -0.051
  283    H    SER  46           H        SER  46  -2.095 -12.537   1.664
  284    HA   SER  46           HA       SER  46  -1.117 -10.791   3.665
  285    HG   SER  46           HG       SER  46  -1.597 -12.118   5.873
  286    HB2  SER  46           2HB      SER  46  -3.372 -11.819   3.718
  287    HB3  SER  46           1HB      SER  46  -2.632 -13.392   4.006
  288    H    THR  47           H        THR  47   0.208 -13.604   2.368
  289    HA   THR  47           HA       THR  47   1.736 -14.228   4.780
  290    HB   THR  47           HB       THR  47   2.022 -15.745   2.216
  291    HG1  THR  47           HG1      THR  47   0.087 -16.723   2.462
  292   HG21  THR  47          3HG2      THR  47   3.388 -16.370   4.156
  293   HG22  THR  47          1HG2      THR  47   2.242 -17.648   3.752
  294   HG23  THR  47          2HG2      THR  47   1.928 -16.584   5.122
  295    H    THR  48           H        THR  48   2.031 -12.026   2.428
  296    HA   THR  48           HA       THR  48   4.950 -12.362   2.226
  297    HB   THR  48           HB       THR  48   4.806 -11.445  -0.118
  298    HG1  THR  48           HG1      THR  48   2.197 -11.328   0.557
  299   HG21  THR  48          3HG2      THR  48   5.223 -13.814   0.310
  300   HG22  THR  48          1HG2      THR  48   4.215 -13.604  -1.123
  301   HG23  THR  48          2HG2      THR  48   3.487 -14.112   0.401
  302    H    VAL  49           H        VAL  49   2.281 -10.204   2.666
  303    HA   VAL  49           HA       VAL  49   3.563  -7.800   1.906
  304    HB   VAL  49           HB       VAL  49   1.241  -7.636   1.964
  305   HG11  VAL  49          1HG1      VAL  49   0.786  -9.598   3.347
  306   HG12  VAL  49          2HG1      VAL  49  -0.146  -8.215   3.917
  307   HG13  VAL  49          3HG1      VAL  49   1.303  -8.721   4.789
  308   HG21  VAL  49          3HG2      VAL  49   2.181  -6.331   4.515
  309   HG22  VAL  49          1HG2      VAL  49   0.709  -5.929   3.631
  310   HG23  VAL  49          2HG2      VAL  49   2.285  -5.647   2.894
  311    H    ALA  50           H        ALA  50   4.775  -6.370   2.972
  312    HA   ALA  50           HA       ALA  50   5.542  -7.017   5.733
  313    HB1  ALA  50           3HB      ALA  50   6.938  -5.239   3.733
  314    HB2  ALA  50           1HB      ALA  50   7.387  -6.904   4.109
  315    HB3  ALA  50           2HB      ALA  50   7.520  -5.653   5.345
  316    H    ALA  51           H        ALA  51   4.274  -5.958   7.114
  317    HA   ALA  51           HA       ALA  51   3.388  -3.252   6.456
  318    HB1  ALA  51           3HB      ALA  51   1.660  -4.922   7.006
  319    HB2  ALA  51           1HB      ALA  51   1.673  -3.565   8.133
  320    HB3  ALA  51           2HB      ALA  51   2.379  -5.111   8.606
  321    H    HIS  52           H        HIS  52   3.453  -1.619   8.010
  322    HA   HIS  52           HA       HIS  52   5.016  -2.018  10.438
  323    HD1  HIS  52           HD1      HIS  52   6.380   2.213   9.228
  324    HD2  HIS  52           HD2      HIS  52   7.184  -0.890  11.889
  325    HE1  HIS  52           HE1      HIS  52   7.465   3.289  11.231
  326    HE2  HIS  52           HE2      HIS  52   7.739   1.423  12.900
  327    HB2  HIS  52           2HB      HIS  52   6.734  -1.296   8.890
  328    HB3  HIS  52           1HB      HIS  52   5.720   0.019   8.307
  329    H    GLU  53           H        GLU  53   3.061  -1.723  11.495
  330    HA   GLU  53           HA       GLU  53   1.498  -0.569  12.637
  331    HB2  GLU  53           2HB      GLU  53   3.204   1.815  11.907
  332    HB3  GLU  53           1HB      GLU  53   1.919   1.825  13.104
  333    HG2  GLU  53           2HG      GLU  53   3.127   0.157  14.422
  334    HG3  GLU  53           1HG      GLU  53   4.420   0.159  13.225
  335    H    SER  54           H        SER  54   1.986   2.195  10.504
  336    HA   SER  54           HA       SER  54  -0.769   1.807   9.562
  337    HG   SER  54           HG       SER  54   0.387   4.136  11.608
  338    HB2  SER  54           2HB      SER  54   0.942   4.305   9.554
  339    HB3  SER  54           1HB      SER  54  -0.749   4.211   9.056
  340    H    GLU  55           H        GLU  55   2.066   0.875   8.552
  341    HA   GLU  55           HA       GLU  55   1.687   1.764   5.764
  342    HB2  GLU  55           2HB      GLU  55   4.282   0.992   7.107
  343    HB3  GLU  55           1HB      GLU  55   4.096   1.572   5.458
  344    HG2  GLU  55           2HG      GLU  55   3.326   3.727   6.288
  345    HG3  GLU  55           1HG      GLU  55   3.477   3.149   7.948
  346    H    ILE  56           H        ILE  56   2.045   0.260   4.109
  347    HA   ILE  56           HA       ILE  56   2.805  -2.464   4.733
  348    HB   ILE  56           HB       ILE  56   0.695  -3.229   4.865
  349   HG12  ILE  56          2HG1      ILE  56   0.658  -2.563   1.918
  350   HG13  ILE  56          1HG1      ILE  56   1.312  -4.027   2.644
  351   HG21  ILE  56          1HG2      ILE  56  -0.280  -0.731   3.506
  352   HG22  ILE  56          2HG2      ILE  56  -0.250  -1.054   5.241
  353   HG23  ILE  56          3HG2      ILE  56  -1.308  -1.992   4.187
  354   HD11  ILE  56          3HD1      ILE  56  -0.943  -4.615   3.424
  355   HD12  ILE  56          1HD1      ILE  56  -0.849  -4.466   1.670
  356   HD13  ILE  56          2HD1      ILE  56  -1.575  -3.174   2.628
  357    H    TYR  57           H        TYR  57   4.108  -3.185   3.183
  358    HA   TYR  57           HA       TYR  57   3.762  -2.234   0.440
  359    HD1  TYR  57           HD2      TYR  57   4.819   0.451  -0.194
  360    HD2  TYR  57           HD1      TYR  57   6.111  -0.714   3.682
  361    HE1  TYR  57           HE2      TYR  57   4.468   2.747   0.603
  362    HE2  TYR  57           HE1      TYR  57   5.766   1.582   4.494
  363    HH   TYR  57           HH       TYR  57   4.128   3.974   2.622
  364    HB2  TYR  57           2HB      TYR  57   6.461  -2.157   1.818
  365    HB3  TYR  57           1HB      TYR  57   6.100  -1.637   0.179
  366    H    CYS  58           H        CYS  58   5.310  -3.422  -1.044
  367    HA   CYS  58           HA       CYS  58   5.428  -6.206  -0.413
  368    HB2  CYS  58           2HB      CYS  58   6.388  -6.504  -2.564
  369    HB3  CYS  58           1HB      CYS  58   5.256  -5.173  -2.758
  370    H    LYS  59           H        LYS  59   7.418  -7.416  -0.164
  371    HA   LYS  59           HA       LYS  59   9.132  -6.156   1.706
  372    HB2  LYS  59           2HB      LYS  59   9.224  -8.871   0.410
  373    HB3  LYS  59           1HB      LYS  59  10.390  -8.343   1.618
  374    HG2  LYS  59           2HG      LYS  59   8.574  -7.994   3.220
  375    HG3  LYS  59           1HG      LYS  59   7.409  -8.539   2.015
  376    HD2  LYS  59           2HD      LYS  59   9.688 -10.213   3.059
  377    HD3  LYS  59           1HD      LYS  59   8.041 -10.270   3.688
  378    HE2  LYS  59           2HE      LYS  59   7.260 -10.843   1.388
  379    HE3  LYS  59           1HE      LYS  59   8.951 -10.966   0.899
  380    HZ1  LYS  59           3HZ      LYS  59   7.593 -12.608   2.970
  381    HZ2  LYS  59           1HZ      LYS  59   9.245 -12.693   2.593
  382    HZ3  LYS  59           2HZ      LYS  59   8.085 -13.131   1.433
  383    H    VAL  60           H        VAL  60   9.095  -5.994  -1.589
  384    HA   VAL  60           HA       VAL  60  11.936  -5.801  -2.024
  385    HB   VAL  60           HB       VAL  60   9.672  -4.825  -3.779
  386   HG11  VAL  60          1HG1      VAL  60  12.593  -5.283  -4.383
  387   HG12  VAL  60          2HG1      VAL  60  11.775  -3.723  -4.291
  388   HG13  VAL  60          3HG1      VAL  60  11.360  -4.864  -5.572
  389   HG21  VAL  60          3HG2      VAL  60  11.236  -7.404  -3.899
  390   HG22  VAL  60          1HG2      VAL  60  10.010  -6.881  -5.057
  391   HG23  VAL  60          2HG2      VAL  60   9.556  -7.238  -3.391
  392    H    CYS  61           H        CYS  61   9.218  -3.462  -1.947
  393    HA   CYS  61           HA       CYS  61  10.900  -1.182  -1.872
  394    HB2  CYS  61           2HB      CYS  61   8.024  -1.485  -1.013
  395    HB3  CYS  61           1HB      CYS  61   8.872   0.052  -1.130
  396    H    TYR  62           H        TYR  62   9.576  -3.256   0.613
  397    HA   TYR  62           HA       TYR  62  10.146  -1.684   2.852
  398    HD1  TYR  62           HD2      TYR  62   8.062  -2.746   4.725
  399    HD2  TYR  62           HD1      TYR  62  11.841  -4.697   4.785
  400    HE1  TYR  62           HE2      TYR  62   8.089  -2.604   7.181
  401    HE2  TYR  62           HE1      TYR  62  11.876  -4.566   7.238
  402    HH   TYR  62           HH       TYR  62   9.211  -3.931   9.091
  403    HB2  TYR  62           2HB      TYR  62   8.922  -3.939   2.747
  404    HB3  TYR  62           1HB      TYR  62  10.519  -4.677   2.779
  405    H    GLY  63           H        GLY  63  12.192  -4.239   1.384
  406    HA2  GLY  63           2HA      GLY  63  14.520  -3.540   2.858
  407    HA3  GLY  63           1HA      GLY  63  14.480  -4.516   1.397
  408    H    ARG  64           H        ARG  64  13.050  -2.242   0.047
  409    HA   ARG  64           HA       ARG  64  15.299  -0.993  -1.132
  410    HE   ARG  64           HE       ARG  64  12.666   2.924  -3.918
  411    HB2  ARG  64           2HB      ARG  64  13.465  -1.293  -2.536
  412    HB3  ARG  64           1HB      ARG  64  12.326  -0.692  -1.346
  413    HG2  ARG  64           2HG      ARG  64  13.261   1.588  -1.697
  414    HG3  ARG  64           1HG      ARG  64  14.246   0.921  -3.006
  415    HD2  ARG  64           2HD      ARG  64  12.360   0.377  -4.297
  416    HD3  ARG  64           1HD      ARG  64  11.268   0.540  -2.923
  417   HH11  ARG  64          1HH1      ARG  64   9.687   1.089  -3.558
  418   HH12  ARG  64          2HH1      ARG  64   8.674   2.447  -3.923
  419   HH21  ARG  64          1HH2      ARG  64  11.311   4.702  -4.395
  420   HH22  ARG  64          2HH2      ARG  64   9.581   4.499  -4.370
  421    H    ARG  65           H        ARG  65  12.716   0.298   0.993
  422    HA   ARG  65           HA       ARG  65  14.109   2.824   1.172
  423    HE   ARG  65           HE       ARG  65  10.210   1.358   5.321
  424    HB2  ARG  65           2HB      ARG  65  12.260   3.644   2.378
  425    HB3  ARG  65           1HB      ARG  65  11.575   2.546   1.191
  426    HG2  ARG  65           2HG      ARG  65  11.250   0.854   2.845
  427    HG3  ARG  65           1HG      ARG  65  12.128   1.801   4.049
  428    HD2  ARG  65           2HD      ARG  65  10.362   3.607   3.644
  429    HD3  ARG  65           1HD      ARG  65   9.438   2.340   2.836
  430   HH11  ARG  65          1HH1      ARG  65   8.185   3.907   4.037
  431   HH12  ARG  65          2HH1      ARG  65   7.107   3.912   5.412
  432   HH21  ARG  65          1HH2      ARG  65   8.842   1.403   7.152
  433   HH22  ARG  65          2HH2      ARG  65   7.484   2.499   7.181
  434    H    TYR  66           H        TYR  66  14.320  -0.141   2.772
  435    HA   TYR  66           HA       TYR  66  15.646   1.143   5.057
  436    HD1  TYR  66           HD1      TYR  66  14.975   0.544   7.685
  437    HD2  TYR  66           HD2      TYR  66  12.184  -1.050   4.900
  438    HE1  TYR  66           HE1      TYR  66  13.124   1.384   9.069
  439    HE2  TYR  66           HE2      TYR  66  10.331  -0.218   6.276
  440    HH   TYR  66           HH       TYR  66  10.833   1.940   8.942
  441    HB2  TYR  66           2HB      TYR  66  14.478  -1.615   4.717
  442    HB3  TYR  66           1HB      TYR  66  15.603  -1.240   6.016
  Start of MODEL    8
    1    H1   GLY   7           1H       GLY   7 -17.619   0.452   7.849
    2    HA2  GLY   7           2HA      GLY   7 -18.302   2.129   5.566
    3    HA3  GLY   7           1HA      GLY   7 -18.898   2.654   7.133
    4    H    ALA   8           H        ALA   8 -16.027   1.985   5.245
    5    HA   ALA   8           HA       ALA   8 -14.557   3.913   6.906
    6    HB1  ALA   8           3HB      ALA   8 -13.464   1.261   5.952
    7    HB2  ALA   8           1HB      ALA   8 -13.878   1.666   7.619
    8    HB3  ALA   8           2HB      ALA   8 -12.557   2.508   6.808
    9    H    LYS   9           H        LYS   9 -12.307   4.300   5.624
   10    HA   LYS   9           HA       LYS   9 -12.976   4.482   2.773
   11    HB2  LYS   9           2HB      LYS   9 -11.856   6.628   2.611
   12    HB3  LYS   9           1HB      LYS   9 -13.130   6.720   3.821
   13    HG2  LYS   9           2HG      LYS   9 -11.477   6.536   5.602
   14    HG3  LYS   9           1HG      LYS   9 -10.190   6.396   4.399
   15    HD2  LYS   9           2HD      LYS   9 -12.022   8.767   4.791
   16    HD3  LYS   9           1HD      LYS   9 -10.321   8.675   5.253
   17    HE2  LYS   9           2HE      LYS   9  -9.689   8.408   2.906
   18    HE3  LYS   9           1HE      LYS   9 -11.388   8.456   2.437
   19    HZ1  LYS   9           3HZ      LYS   9  -9.823  10.660   3.665
   20    HZ2  LYS   9           1HZ      LYS   9 -11.497  10.719   3.382
   21    HZ3  LYS   9           2HZ      LYS   9 -10.413  10.595   2.081
   22    H    CYS  10           H        CYS  10 -11.256   4.282   1.358
   23    HA   CYS  10           HA       CYS  10  -9.381   2.319   2.192
   24    HB2  CYS  10           2HB      CYS  10 -10.529   2.479  -0.023
   25    HB3  CYS  10           1HB      CYS  10  -9.521   3.864  -0.391
   26    H    GLY  11           H        GLY  11  -7.362   2.553   2.849
   27    HA2  GLY  11           2HA      GLY  11  -6.070   5.073   3.123
   28    HA3  GLY  11           1HA      GLY  11  -5.326   3.498   3.356
   29    H    ALA  12           H        ALA  12  -6.634   3.339   0.376
   30    HA   ALA  12           HA       ALA  12  -4.266   4.499  -0.941
   31    HB1  ALA  12           3HB      ALA  12  -5.895   2.128  -1.858
   32    HB2  ALA  12           1HB      ALA  12  -4.326   2.037  -1.054
   33    HB3  ALA  12           2HB      ALA  12  -4.460   2.784  -2.647
   34    H    CYS  13           H        CYS  13  -7.732   3.852  -1.211
   35    HA   CYS  13           HA       CYS  13  -7.979   5.652  -3.489
   36    HB2  CYS  13           2HB      CYS  13 -10.077   4.081  -1.982
   37    HB3  CYS  13           1HB      CYS  13 -10.371   5.030  -3.429
   38    H    GLU  14           H        GLU  14  -9.813   7.222  -3.441
   39    HA   GLU  14           HA       GLU  14 -10.309   8.369  -0.772
   40    HB2  GLU  14           2HB      GLU  14 -10.966   9.437  -3.536
   41    HB3  GLU  14           1HB      GLU  14 -11.293  10.268  -2.020
   42    HG2  GLU  14           2HG      GLU  14  -8.980  10.555  -1.584
   43    HG3  GLU  14           1HG      GLU  14  -8.530   9.486  -2.912
   44    H    LYS  15           H        LYS  15 -11.279   5.978  -2.526
   45    HA   LYS  15           HA       LYS  15 -14.145   6.329  -2.523
   46    HB2  LYS  15           2HB      LYS  15 -12.564   3.801  -3.030
   47    HB3  LYS  15           1HB      LYS  15 -14.224   4.132  -3.504
   48    HG2  LYS  15           2HG      LYS  15 -11.767   5.493  -4.593
   49    HG3  LYS  15           1HG      LYS  15 -12.712   4.244  -5.402
   50    HD2  LYS  15           2HD      LYS  15 -14.666   5.735  -5.395
   51    HD3  LYS  15           1HD      LYS  15 -13.697   6.982  -4.611
   52    HE2  LYS  15           2HE      LYS  15 -13.800   7.443  -6.966
   53    HE3  LYS  15           1HE      LYS  15 -12.161   6.948  -6.550
   54    HZ1  LYS  15           3HZ      LYS  15 -12.739   4.694  -7.341
   55    HZ2  LYS  15           1HZ      LYS  15 -12.822   5.872  -8.561
   56    HZ3  LYS  15           2HZ      LYS  15 -14.245   5.282  -7.852
   57    H    THR  16           H        THR  16 -15.406   4.441  -1.540
   58    HA   THR  16           HA       THR  16 -14.586   4.349   1.252
   59    HB   THR  16           HB       THR  16 -17.048   3.263   1.262
   60    HG1  THR  16           HG1      THR  16 -16.893   4.969  -1.016
   61   HG21  THR  16          3HG2      THR  16 -16.345   5.133   2.637
   62   HG22  THR  16          1HG2      THR  16 -17.878   5.516   1.851
   63   HG23  THR  16          2HG2      THR  16 -16.376   6.204   1.237
   64    H    VAL  17           H        VAL  17 -14.307   2.561   2.410
   65    HA   VAL  17           HA       VAL  17 -14.204  -0.006   0.989
   66    HB   VAL  17           HB       VAL  17 -12.951   0.886   3.589
   67   HG11  VAL  17          1HG1      VAL  17 -11.865  -1.294   3.677
   68   HG12  VAL  17          2HG1      VAL  17 -12.740  -1.796   2.232
   69   HG13  VAL  17          3HG1      VAL  17 -13.620  -1.467   3.724
   70   HG21  VAL  17          3HG2      VAL  17 -11.713   0.112   0.963
   71   HG22  VAL  17          1HG2      VAL  17 -10.838   0.563   2.428
   72   HG23  VAL  17          2HG2      VAL  17 -11.851   1.750   1.604
   73    H    TYR  18           H        TYR  18 -15.629  -1.578   1.493
   74    HA   TYR  18           HA       TYR  18 -17.349  -1.136   3.849
   75    HD1  TYR  18           HD2      TYR  18 -19.151   0.597   2.859
   76    HD2  TYR  18           HD1      TYR  18 -18.094  -1.646  -0.596
   77    HE1  TYR  18           HE2      TYR  18 -19.592   2.565   1.454
   78    HE2  TYR  18           HE1      TYR  18 -18.526   0.315  -2.011
   79    HH   TYR  18           HH       TYR  18 -18.806   3.405  -0.815
   80    HB2  TYR  18           2HB      TYR  18 -18.208  -2.720   1.431
   81    HB3  TYR  18           1HB      TYR  18 -19.208  -2.032   2.703
   82    H    HIS  19           H        HIS  19 -18.503  -3.347   4.359
   83    HA   HIS  19           HA       HIS  19 -16.614  -5.256   5.175
   84    HD1  HIS  19           HD1      HIS  19 -17.853  -7.266   7.456
   85    HD2  HIS  19           HD2      HIS  19 -19.884  -7.972   3.896
   86    HE1  HIS  19           HE1      HIS  19 -18.366  -9.730   7.445
   87    HE2  HIS  19           HE2      HIS  19 -19.782 -10.081   5.383
   88    HB2  HIS  19           2HB      HIS  19 -18.732  -5.139   6.278
   89    HB3  HIS  19           1HB      HIS  19 -19.606  -5.344   4.768
   90    H    ALA  20           H        ALA  20 -18.120  -4.656   2.180
   91    HA   ALA  20           HA       ALA  20 -18.204  -7.064   0.852
   92    HB1  ALA  20           3HB      ALA  20 -19.036  -4.936  -0.039
   93    HB2  ALA  20           1HB      ALA  20 -17.994  -5.766  -1.197
   94    HB3  ALA  20           2HB      ALA  20 -17.374  -4.392  -0.277
   95    H    GLU  21           H        GLU  21 -15.423  -4.793   0.873
   96    HA   GLU  21           HA       GLU  21 -13.693  -7.086   0.328
   97    HB2  GLU  21           2HB      GLU  21 -12.477  -5.898  -1.397
   98    HB3  GLU  21           1HB      GLU  21 -14.167  -6.050  -1.839
   99    HG2  GLU  21           2HG      GLU  21 -14.518  -3.692  -1.176
  100    HG3  GLU  21           1HG      GLU  21 -12.802  -3.578  -0.790
  101    H    GLU  22           H        GLU  22 -14.043  -5.890   2.778
  102    HA   GLU  22           HA       GLU  22 -11.819  -4.064   3.170
  103    HB2  GLU  22           2HB      GLU  22 -13.894  -3.618   4.390
  104    HB3  GLU  22           1HB      GLU  22 -13.791  -5.197   5.159
  105    HG2  GLU  22           2HG      GLU  22 -11.688  -4.532   6.222
  106    HG3  GLU  22           1HG      GLU  22 -11.834  -2.939   5.479
  107    H    ILE  23           H        ILE  23  -9.856  -4.893   3.335
  108    HA   ILE  23           HA       ILE  23  -9.519  -7.145   5.207
  109    HB   ILE  23           HB       ILE  23  -7.649  -6.115   3.064
  110   HG12  ILE  23          2HG1      ILE  23  -7.806  -8.838   2.817
  111   HG13  ILE  23          1HG1      ILE  23  -9.434  -8.424   3.350
  112   HG21  ILE  23          1HG2      ILE  23  -6.014  -7.753   3.818
  113   HG22  ILE  23          2HG2      ILE  23  -7.060  -8.185   5.172
  114   HG23  ILE  23          3HG2      ILE  23  -6.357  -6.569   5.079
  115   HD11  ILE  23          3HD1      ILE  23  -9.638  -6.852   1.505
  116   HD12  ILE  23          1HD1      ILE  23  -9.281  -8.483   0.936
  117   HD13  ILE  23          2HD1      ILE  23  -8.006  -7.265   0.977
  118    H    GLN  24           H        GLN  24  -8.926  -6.569   7.176
  119    HA   GLN  24           HA       GLN  24  -7.836  -3.900   7.588
  120    HB2  GLN  24           2HB      GLN  24  -9.489  -5.673   9.102
  121    HB3  GLN  24           1HB      GLN  24  -8.039  -5.324  10.033
  122    HG2  GLN  24           2HG      GLN  24  -8.449  -2.976   9.921
  123    HG3  GLN  24           1HG      GLN  24  -9.788  -3.220   8.798
  124   HE21  GLN  24          1HE2      GLN  24 -11.752  -3.902   9.548
  125   HE22  GLN  24          2HE2      GLN  24 -12.137  -3.978  11.238
  126    H    CYS  25           H        CYS  25  -5.746  -3.843   7.135
  127    HA   CYS  25           HA       CYS  25  -4.026  -6.079   7.858
  128    HG   CYS  25           HG       CYS  25  -1.471  -5.733   5.127
  129    HB2  CYS  25           2HB      CYS  25  -3.887  -5.004   5.592
  130    HB3  CYS  25           1HB      CYS  25  -3.317  -3.537   6.374
  131    H    ASN  26           H        ASN  26  -3.314  -6.103   9.834
  132    HA   ASN  26           HA       ASN  26  -2.298  -5.546  11.770
  133    HB2  ASN  26           2HB      ASN  26  -0.668  -4.310  10.318
  134    HB3  ASN  26           1HB      ASN  26  -1.643  -2.861  10.550
  135   HD21  ASN  26          1HD2      ASN  26  -0.099  -1.703  11.635
  136   HD22  ASN  26          2HD2      ASN  26   0.452  -2.117  13.220
  137    H    GLY  27           H        GLY  27  -3.834  -2.537  10.585
  138    HA2  GLY  27           2HA      GLY  27  -5.918  -2.691  12.523
  139    HA3  GLY  27           1HA      GLY  27  -4.684  -1.546  13.024
  140    H    ARG  28           H        ARG  28  -5.380  -2.020   9.636
  141    HA   ARG  28           HA       ARG  28  -7.171   0.285   9.595
  142    HE   ARG  28           HE       ARG  28  -4.673   4.281  10.144
  143    HB2  ARG  28           2HB      ARG  28  -4.478   0.187   8.313
  144    HB3  ARG  28           1HB      ARG  28  -5.782   1.009   7.466
  145    HG2  ARG  28           2HG      ARG  28  -6.141   2.386   9.515
  146    HG3  ARG  28           1HG      ARG  28  -4.686   1.651  10.191
  147    HD2  ARG  28           2HD      ARG  28  -3.329   2.558   8.452
  148    HD3  ARG  28           1HD      ARG  28  -4.746   3.105   7.558
  149   HH11  ARG  28          1HH1      ARG  28  -3.170   4.455   6.991
  150   HH12  ARG  28          2HH1      ARG  28  -2.776   6.143   7.109
  151   HH21  ARG  28          1HH2      ARG  28  -4.151   6.513  10.328
  152   HH22  ARG  28          2HH2      ARG  28  -3.317   7.310   9.024
  153    H    SER  29           H        SER  29  -8.533   0.388   7.848
  154    HA   SER  29           HA       SER  29  -9.038  -2.183   6.601
  155    HG   SER  29           HG       SER  29 -11.479  -1.660   8.108
  156    HB2  SER  29           2HB      SER  29 -10.650   0.374   6.416
  157    HB3  SER  29           1HB      SER  29 -11.200  -1.257   6.045
  158    H    PHE  30           H        PHE  30  -8.517  -2.680   4.570
  159    HA   PHE  30           HA       PHE  30  -8.164  -0.518   2.603
  160    HD1  PHE  30           HD2      PHE  30  -5.886   0.724   2.431
  161    HD2  PHE  30           HD1      PHE  30  -5.116  -2.691   4.853
  162    HE1  PHE  30           HE2      PHE  30  -4.399   2.070   3.854
  163    HE2  PHE  30           HE1      PHE  30  -3.628  -1.347   6.278
  164    HZ   PHE  30           HZ       PHE  30  -3.241   1.022   5.762
  165    HB2  PHE  30           2HB      PHE  30  -6.362  -2.934   2.924
  166    HB3  PHE  30           1HB      PHE  30  -6.237  -1.727   1.650
  167    H    HIS  31           H        HIS  31  -8.657  -1.101   0.441
  168    HA   HIS  31           HA       HIS  31 -10.705  -3.014   0.077
  169    HD2  HIS  31           HD2      HIS  31 -12.516  -1.755  -0.248
  170    HE1  HIS  31           HE1      HIS  31 -12.258   1.881  -2.374
  171    HE2  HIS  31           HE2      HIS  31 -13.736   0.427  -0.939
  172    HB2  HIS  31           2HB      HIS  31  -8.984  -1.464  -1.845
  173    HB3  HIS  31           1HB      HIS  31 -10.133  -2.664  -2.423
  174    H    LYS  32           H        LYS  32 -10.719  -5.023  -0.917
  175    HA   LYS  32           HA       LYS  32  -8.436  -6.678  -0.873
  176    HB2  LYS  32           2HB      LYS  32 -10.824  -7.470  -0.858
  177    HB3  LYS  32           1HB      LYS  32 -10.942  -7.022  -2.553
  178    HG2  LYS  32           2HG      LYS  32  -8.850  -8.961  -1.639
  179    HG3  LYS  32           1HG      LYS  32 -10.511  -9.489  -1.902
  180    HD2  LYS  32           2HD      LYS  32 -10.418  -8.702  -4.205
  181    HD3  LYS  32           1HD      LYS  32  -8.779  -8.103  -3.948
  182    HE2  LYS  32           2HE      LYS  32  -8.739 -10.242  -5.106
  183    HE3  LYS  32           1HE      LYS  32  -8.016 -10.385  -3.506
  184    HZ1  LYS  32           3HZ      LYS  32  -9.929 -11.465  -2.683
  185    HZ2  LYS  32           1HZ      LYS  32  -9.565 -12.215  -4.158
  186    HZ3  LYS  32           2HZ      LYS  32 -10.839 -11.095  -4.065
  187    H    THR  33           H        THR  33  -9.812  -4.514  -3.176
  188    HA   THR  33           HA       THR  33  -8.157  -5.300  -5.392
  189    HB   THR  33           HB       THR  33  -9.670  -2.701  -5.123
  190    HG1  THR  33           HG1      THR  33 -11.234  -4.184  -4.635
  191   HG21  THR  33          3HG2      THR  33  -9.049  -4.470  -7.495
  192   HG22  THR  33          1HG2      THR  33  -8.242  -2.954  -7.100
  193   HG23  THR  33          2HG2      THR  33  -9.947  -2.952  -7.550
  194    H    CYS  34           H        CYS  34  -7.504  -3.732  -2.551
  195    HA   CYS  34           HA       CYS  34  -5.314  -2.176  -3.743
  196    HB2  CYS  34           2HB      CYS  34  -7.093  -1.251  -1.475
  197    HB3  CYS  34           1HB      CYS  34  -5.727  -0.366  -2.156
  198    H    PHE  35           H        PHE  35  -5.638  -4.825  -2.204
  199    HA   PHE  35           HA       PHE  35  -4.320  -4.346   0.291
  200    HD1  PHE  35           HD2      PHE  35  -4.870  -5.761   2.336
  201    HD2  PHE  35           HD1      PHE  35  -3.183  -8.473  -0.476
  202    HE1  PHE  35           HE2      PHE  35  -3.640  -6.870   4.149
  203    HE2  PHE  35           HE1      PHE  35  -1.939  -9.581   1.335
  204    HZ   PHE  35           HZ       PHE  35  -2.161  -8.774   3.651
  205    HB2  PHE  35           2HB      PHE  35  -5.874  -6.239   0.001
  206    HB3  PHE  35           1HB      PHE  35  -4.779  -6.952  -1.181
  207    H    HIS  36           H        HIS  36  -3.264  -4.460  -2.867
  208    HA   HIS  36           HA       HIS  36  -0.711  -5.674  -2.267
  209    HD1  HIS  36           HD1      HIS  36  -3.881  -5.525  -5.061
  210    HD2  HIS  36           HD2      HIS  36  -0.886  -2.758  -5.898
  211    HE1  HIS  36           HE1      HIS  36  -4.905  -3.871  -6.656
  212    HE2  HIS  36           HE2      HIS  36  -3.054  -2.268  -7.237
  213    HB2  HIS  36           2HB      HIS  36  -0.194  -5.192  -4.688
  214    HB3  HIS  36           1HB      HIS  36  -1.534  -6.287  -4.386
  215    H    CYS  37           H        CYS  37   1.231  -4.386  -3.457
  216    HA   CYS  37           HA       CYS  37   2.007  -2.737  -1.397
  217    HB2  CYS  37           2HB      CYS  37   3.489  -3.921  -3.035
  218    HB3  CYS  37           1HB      CYS  37   3.149  -2.634  -4.187
  219    H    MET  38           H        MET  38   1.673  -0.752  -0.838
  220    HA   MET  38           HA       MET  38   0.108   1.053  -2.401
  221    HB2  MET  38           2HB      MET  38   1.618   1.476   0.181
  222    HB3  MET  38           1HB      MET  38   0.454   2.601  -0.501
  223    HG2  MET  38           2HG      MET  38  -0.131  -0.205   0.403
  224    HG3  MET  38           1HG      MET  38  -0.507   1.266   1.295
  225    HE1  MET  38           3HE      MET  38  -4.032   0.008   0.201
  226    HE2  MET  38           1HE      MET  38  -3.009   0.508   1.550
  227    HE3  MET  38           2HE      MET  38  -2.652  -0.982   0.672
  228    H    ALA  39           H        ALA  39   3.457   0.414  -2.184
  229    HA   ALA  39           HA       ALA  39   4.247   3.122  -2.884
  230    HB1  ALA  39           3HB      ALA  39   5.610   1.801  -1.315
  231    HB2  ALA  39           1HB      ALA  39   6.519   2.341  -2.728
  232    HB3  ALA  39           2HB      ALA  39   5.972   0.667  -2.618
  233    H    CYS  40           H        CYS  40   5.240   0.002  -4.325
  234    HA   CYS  40           HA       CYS  40   5.364   1.304  -6.895
  235    HB2  CYS  40           2HB      CYS  40   6.220  -0.840  -7.751
  236    HB3  CYS  40           1HB      CYS  40   7.115  -0.317  -6.335
  237    H    ARG  41           H        ARG  41   4.097  -1.905  -6.410
  238    HA   ARG  41           HA       ARG  41   1.446  -1.577  -6.023
  239    HE   ARG  41           HE       ARG  41  -2.363   0.288  -7.177
  240    HB2  ARG  41           2HB      ARG  41   1.822  -0.371  -8.433
  241    HB3  ARG  41           1HB      ARG  41   1.425  -2.007  -8.948
  242    HG2  ARG  41           2HG      ARG  41  -0.542  -0.501  -8.786
  243    HG3  ARG  41           1HG      ARG  41  -0.667  -1.941  -7.773
  244    HD2  ARG  41           2HD      ARG  41   0.096  -0.609  -5.834
  245    HD3  ARG  41           1HD      ARG  41   0.134   0.827  -6.855
  246   HH11  ARG  41          1HH1      ARG  41  -0.561  -0.286  -4.222
  247   HH12  ARG  41          2HH1      ARG  41  -1.944  -0.081  -3.191
  248   HH21  ARG  41          1HH2      ARG  41  -4.194   0.519  -5.812
  249   HH22  ARG  41          2HH2      ARG  41  -3.995   0.396  -4.094
  250    H    LYS  42           H        LYS  42   3.926  -3.405  -6.203
  251    HA   LYS  42           HA       LYS  42   3.402  -5.780  -7.510
  252    HB2  LYS  42           2HB      LYS  42   5.493  -5.383  -6.358
  253    HB3  LYS  42           1HB      LYS  42   4.670  -5.279  -4.811
  254    HG2  LYS  42           2HG      LYS  42   5.750  -7.383  -4.904
  255    HG3  LYS  42           1HG      LYS  42   4.020  -7.682  -5.092
  256    HD2  LYS  42           2HD      LYS  42   4.332  -7.820  -7.527
  257    HD3  LYS  42           1HD      LYS  42   6.067  -7.578  -7.305
  258    HE2  LYS  42           2HE      LYS  42   5.727  -9.915  -7.549
  259    HE3  LYS  42           1HE      LYS  42   6.064  -9.618  -5.847
  260    HZ1  LYS  42           3HZ      LYS  42   3.676  -9.725  -5.406
  261    HZ2  LYS  42           1HZ      LYS  42   4.243 -11.161  -6.099
  262    HZ3  LYS  42           2HZ      LYS  42   3.379 -10.050  -7.041
  263    H    ALA  43           H        ALA  43   2.055  -7.494  -7.181
  264    HA   ALA  43           HA       ALA  43  -0.140  -7.232  -5.392
  265    HB1  ALA  43           3HB      ALA  43   0.781  -9.633  -6.960
  266    HB2  ALA  43           1HB      ALA  43  -0.352  -8.404  -7.519
  267    HB3  ALA  43           2HB      ALA  43  -0.788  -9.456  -6.170
  268    H    LEU  44           H        LEU  44  -0.162  -7.682  -3.290
  269    HA   LEU  44           HA       LEU  44   1.962  -9.364  -2.186
  270    HG   LEU  44           HG       LEU  44   2.336  -6.643   0.201
  271    HB2  LEU  44           2HB      LEU  44   0.259  -7.186  -1.082
  272    HB3  LEU  44           1HB      LEU  44   0.808  -8.434   0.016
  273   HD11  LEU  44          1HD1      LEU  44   3.393  -8.821   0.176
  274   HD12  LEU  44          2HD1      LEU  44   4.447  -7.625  -0.581
  275   HD13  LEU  44          3HD1      LEU  44   3.538  -8.761  -1.580
  276   HD21  LEU  44          3HD2      LEU  44   1.787  -5.448  -1.823
  277   HD22  LEU  44          1HD2      LEU  44   2.569  -6.692  -2.800
  278   HD23  LEU  44          2HD2      LEU  44   3.528  -5.694  -1.707
  279    H    ASP  45           H        ASP  45   1.545 -11.095  -0.904
  280    HA   ASP  45           HA       ASP  45  -1.254 -11.979  -0.780
  281    HB2  ASP  45           2HB      ASP  45   1.275 -13.636  -0.954
  282    HB3  ASP  45           1HB      ASP  45  -0.312 -14.309  -0.596
  283    H    SER  46           H        SER  46  -1.552 -13.561   1.149
  284    HA   SER  46           HA       SER  46  -1.479 -12.044   3.426
  285    HG   SER  46           HG       SER  46  -3.886 -14.445   3.305
  286    HB2  SER  46           2HB      SER  46  -1.460 -15.057   3.430
  287    HB3  SER  46           1HB      SER  46  -2.235 -13.981   4.596
  288    H    THR  47           H        THR  47   0.955 -14.378   2.384
  289    HA   THR  47           HA       THR  47   2.329 -14.223   4.932
  290    HB   THR  47           HB       THR  47   3.287 -15.702   2.488
  291    HG1  THR  47           HG1      THR  47   2.061 -17.498   3.654
  292   HG21  THR  47          3HG2      THR  47   3.571 -16.228   5.451
  293   HG22  THR  47          1HG2      THR  47   4.823 -15.566   4.396
  294   HG23  THR  47          2HG2      THR  47   4.248 -17.216   4.156
  295    H    THR  48           H        THR  48   2.545 -12.655   1.852
  296    HA   THR  48           HA       THR  48   5.428 -12.228   2.132
  297    HB   THR  48           HB       THR  48   5.184 -11.267  -0.224
  298    HG1  THR  48           HG1      THR  48   3.281 -12.002  -1.318
  299   HG21  THR  48          3HG2      THR  48   4.513 -14.170   0.272
  300   HG22  THR  48          1HG2      THR  48   6.132 -13.475   0.220
  301   HG23  THR  48          2HG2      THR  48   5.139 -13.507  -1.237
  302    H    VAL  49           H        VAL  49   2.458 -10.477   2.446
  303    HA   VAL  49           HA       VAL  49   3.423  -7.906   1.795
  304    HB   VAL  49           HB       VAL  49   1.094  -8.022   1.835
  305   HG11  VAL  49          1HG1      VAL  49   1.272  -9.136   4.643
  306   HG12  VAL  49          2HG1      VAL  49   0.839 -10.040   3.194
  307   HG13  VAL  49          3HG1      VAL  49  -0.224  -8.765   3.788
  308   HG21  VAL  49          3HG2      VAL  49   1.861  -6.665   4.414
  309   HG22  VAL  49          1HG2      VAL  49   0.371  -6.405   3.509
  310   HG23  VAL  49          2HG2      VAL  49   1.920  -5.946   2.805
  311    H    ALA  50           H        ALA  50   4.558  -6.441   2.842
  312    HA   ALA  50           HA       ALA  50   5.342  -6.995   5.616
  313    HB1  ALA  50           3HB      ALA  50   7.182  -5.439   5.212
  314    HB2  ALA  50           1HB      ALA  50   6.561  -5.114   3.592
  315    HB3  ALA  50           2HB      ALA  50   7.166  -6.721   3.999
  316    H    ALA  51           H        ALA  51   3.966  -6.073   6.987
  317    HA   ALA  51           HA       ALA  51   2.970  -3.377   6.396
  318    HB1  ALA  51           3HB      ALA  51   1.194  -3.832   7.996
  319    HB2  ALA  51           1HB      ALA  51   1.897  -5.411   8.350
  320    HB3  ALA  51           2HB      ALA  51   1.244  -5.075   6.746
  321    H    HIS  52           H        HIS  52   3.250  -1.716   7.825
  322    HA   HIS  52           HA       HIS  52   4.516  -2.233  10.394
  323    HD1  HIS  52           HD1      HIS  52   7.520  -2.616  10.827
  324    HD2  HIS  52           HD2      HIS  52   6.545   1.419  10.614
  325    HE1  HIS  52           HE1      HIS  52   8.822  -1.509  12.667
  326    HE2  HIS  52           HE2      HIS  52   8.018   0.881  12.670
  327    HB2  HIS  52           2HB      HIS  52   6.339  -1.914   8.626
  328    HB3  HIS  52           1HB      HIS  52   5.784  -0.251   8.500
  329    H    GLU  53           H        GLU  53   3.268  -1.190  11.761
  330    HA   GLU  53           HA       GLU  53   1.969   0.352  12.771
  331    HB2  GLU  53           2HB      GLU  53   3.221   2.339  10.869
  332    HB3  GLU  53           1HB      GLU  53   2.382   2.715  12.368
  333    HG2  GLU  53           2HG      GLU  53   5.022   1.319  12.028
  334    HG3  GLU  53           1HG      GLU  53   4.707   2.878  12.790
  335    H    SER  54           H        SER  54   1.822   2.246   9.834
  336    HA   SER  54           HA       SER  54  -0.964   1.356   9.472
  337    HG   SER  54           HG       SER  54  -0.858   2.789  11.348
  338    HB2  SER  54           2HB      SER  54   0.071   4.191   9.203
  339    HB3  SER  54           1HB      SER  54  -1.601   3.665   8.991
  340    H    GLU  55           H        GLU  55   1.769   0.877   8.162
  341    HA   GLU  55           HA       GLU  55   0.968   1.566   5.413
  342    HB2  GLU  55           2HB      GLU  55   3.760   1.396   6.556
  343    HB3  GLU  55           1HB      GLU  55   3.377   1.669   4.862
  344    HG2  GLU  55           2HG      GLU  55   2.235   3.757   5.477
  345    HG3  GLU  55           1HG      GLU  55   2.683   3.483   7.160
  346    H    ILE  56           H        ILE  56   1.424   0.032   3.795
  347    HA   ILE  56           HA       ILE  56   2.430  -2.585   4.587
  348    HB   ILE  56           HB       ILE  56   0.348  -3.407   4.812
  349   HG12  ILE  56          2HG1      ILE  56   0.266  -3.021   1.814
  350   HG13  ILE  56          1HG1      ILE  56   0.968  -4.392   2.667
  351   HG21  ILE  56          1HG2      ILE  56  -1.700  -2.294   4.051
  352   HG22  ILE  56          2HG2      ILE  56  -0.719  -1.079   3.230
  353   HG23  ILE  56          3HG2      ILE  56  -0.654  -1.225   4.987
  354   HD11  ILE  56          3HD1      ILE  56  -1.230  -5.003   3.509
  355   HD12  ILE  56          1HD1      ILE  56  -1.215  -4.934   1.746
  356   HD13  ILE  56          2HD1      ILE  56  -1.938  -3.620   2.674
  357    H    TYR  57           H        TYR  57   3.740  -3.389   3.044
  358    HA   TYR  57           HA       TYR  57   3.418  -2.515   0.279
  359    HD1  TYR  57           HD2      TYR  57   4.330   0.172  -0.524
  360    HD2  TYR  57           HD1      TYR  57   5.420  -0.651   3.499
  361    HE1  TYR  57           HE2      TYR  57   3.678   2.454   0.112
  362    HE2  TYR  57           HE1      TYR  57   4.780   1.627   4.145
  363    HH   TYR  57           HH       TYR  57   4.247   3.689   3.369
  364    HB2  TYR  57           2HB      TYR  57   6.035  -2.151   1.756
  365    HB3  TYR  57           1HB      TYR  57   5.732  -1.770   0.067
  366    H    CYS  58           H        CYS  58   5.141  -3.509  -1.131
  367    HA   CYS  58           HA       CYS  58   5.397  -6.308  -0.598
  368    HB2  CYS  58           2HB      CYS  58   6.412  -6.465  -2.737
  369    HB3  CYS  58           1HB      CYS  58   5.200  -5.201  -2.900
  370    H    LYS  59           H        LYS  59   7.567  -7.377  -0.624
  371    HA   LYS  59           HA       LYS  59   9.126  -6.331   1.499
  372    HB2  LYS  59           2HB      LYS  59   9.618  -8.661  -0.356
  373    HB3  LYS  59           1HB      LYS  59  10.622  -8.285   1.039
  374    HG2  LYS  59           2HG      LYS  59   8.696  -8.579   2.511
  375    HG3  LYS  59           1HG      LYS  59   7.686  -8.958   1.114
  376    HD2  LYS  59           2HD      LYS  59  10.128 -10.515   1.960
  377    HD3  LYS  59           1HD      LYS  59   8.461 -10.970   2.320
  378    HE2  LYS  59           2HE      LYS  59   7.976 -11.154  -0.057
  379    HE3  LYS  59           1HE      LYS  59   9.615 -10.632  -0.443
  380    HZ1  LYS  59           3HZ      LYS  59   9.353 -13.046  -0.579
  381    HZ2  LYS  59           1HZ      LYS  59   8.924 -13.098   1.061
  382    HZ3  LYS  59           2HZ      LYS  59  10.479 -12.605   0.609
  383    H    VAL  60           H        VAL  60   9.172  -5.686  -1.806
  384    HA   VAL  60           HA       VAL  60  12.005  -5.214  -2.041
  385    HB   VAL  60           HB       VAL  60   9.774  -4.298  -3.867
  386   HG11  VAL  60          1HG1      VAL  60  11.848  -3.067  -4.193
  387   HG12  VAL  60          2HG1      VAL  60  11.532  -4.138  -5.558
  388   HG13  VAL  60          3HG1      VAL  60  12.738  -4.581  -4.350
  389   HG21  VAL  60          3HG2      VAL  60   9.748  -6.716  -3.636
  390   HG22  VAL  60          1HG2      VAL  60  11.474  -6.790  -3.995
  391   HG23  VAL  60          2HG2      VAL  60  10.335  -6.256  -5.233
  392    H    CYS  61           H        CYS  61   9.096  -3.121  -1.980
  393    HA   CYS  61           HA       CYS  61  10.591  -0.715  -1.796
  394    HB2  CYS  61           2HB      CYS  61   7.715  -1.249  -1.047
  395    HB3  CYS  61           1HB      CYS  61   8.441   0.347  -1.201
  396    H    TYR  62           H        TYR  62   9.245  -2.916   0.573
  397    HA   TYR  62           HA       TYR  62   9.587  -1.314   2.858
  398    HD1  TYR  62           HD2      TYR  62   7.355  -2.359   4.610
  399    HD2  TYR  62           HD1      TYR  62  11.068  -4.423   4.856
  400    HE1  TYR  62           HE2      TYR  62   7.232  -2.281   7.065
  401    HE2  TYR  62           HE1      TYR  62  10.954  -4.349   7.308
  402    HH   TYR  62           HH       TYR  62   9.816  -2.845   9.056
  403    HB2  TYR  62           2HB      TYR  62   8.303  -3.508   2.660
  404    HB3  TYR  62           1HB      TYR  62   9.856  -4.322   2.767
  405    H    GLY  63           H        GLY  63  11.729  -3.705   1.331
  406    HA2  GLY  63           2HA      GLY  63  13.835  -3.452   3.210
  407    HA3  GLY  63           1HA      GLY  63  13.960  -4.158   1.607
  408    H    ARG  64           H        ARG  64  12.925  -1.553   0.460
  409    HA   ARG  64           HA       ARG  64  15.480  -0.305   0.109
  410    HE   ARG  64           HE       ARG  64  14.697   1.478  -3.532
  411    HB2  ARG  64           2HB      ARG  64  12.719   0.479  -0.828
  412    HB3  ARG  64           1HB      ARG  64  14.181   1.351  -1.262
  413    HG2  ARG  64           2HG      ARG  64  15.056  -0.627  -2.364
  414    HG3  ARG  64           1HG      ARG  64  13.619  -1.538  -1.889
  415    HD2  ARG  64           2HD      ARG  64  13.361  -0.839  -4.167
  416    HD3  ARG  64           1HD      ARG  64  12.239   0.075  -3.161
  417   HH11  ARG  64          1HH1      ARG  64  11.656   0.687  -5.092
  418   HH12  ARG  64          2HH1      ARG  64  11.679   2.087  -6.128
  419   HH21  ARG  64          1HH2      ARG  64  14.751   3.278  -4.895
  420   HH22  ARG  64          2HH2      ARG  64  13.460   3.561  -6.024
  421    H    ARG  65           H        ARG  65  12.420   0.711   1.629
  422    HA   ARG  65           HA       ARG  65  13.503   3.225   2.459
  423    HE   ARG  65           HE       ARG  65   9.552   4.475   2.016
  424    HB2  ARG  65           2HB      ARG  65  11.088   2.865   2.012
  425    HB3  ARG  65           1HB      ARG  65  11.001   1.834   3.433
  426    HG2  ARG  65           2HG      ARG  65  11.720   3.761   4.812
  427    HG3  ARG  65           1HG      ARG  65  11.656   4.770   3.370
  428    HD2  ARG  65           2HD      ARG  65   9.332   3.231   4.512
  429    HD3  ARG  65           1HD      ARG  65   9.634   4.942   4.781
  430   HH11  ARG  65          1HH1      ARG  65   7.452   4.500   4.804
  431   HH12  ARG  65          2HH1      ARG  65   6.020   4.888   3.900
  432   HH21  ARG  65          1HH2      ARG  65   7.697   5.015   0.799
  433   HH22  ARG  65          2HH2      ARG  65   6.164   5.227   1.608
  434    H    TYR  66           H        TYR  66  12.898   0.123   4.062
  435    HA   TYR  66           HA       TYR  66  13.986   1.180   6.562
  436    HD1  TYR  66           HD2      TYR  66  12.347   0.526   8.938
  437    HD2  TYR  66           HD1      TYR  66  10.608  -0.443   5.181
  438    HE1  TYR  66           HE2      TYR  66  10.232   1.557   9.657
  439    HE2  TYR  66           HE1      TYR  66   8.494   0.589   5.883
  440    HH   TYR  66           HH       TYR  66   7.332   1.075   8.077
  441    HB2  TYR  66           2HB      TYR  66  12.679  -1.452   5.858
  442    HB3  TYR  66           1HB      TYR  66  13.383  -1.119   7.436
  Start of MODEL    9
    1    H1   GLY   7           1H       GLY   7 -18.996   1.826   7.682
    2    HA2  GLY   7           2HA      GLY   7 -17.278   0.157   6.489
    3    HA3  GLY   7           1HA      GLY   7 -17.874   1.084   5.116
    4    H    ALA   8           H        ALA   8 -15.494   1.569   5.074
    5    HA   ALA   8           HA       ALA   8 -14.991   4.024   6.614
    6    HB1  ALA   8           3HB      ALA   8 -12.996   1.796   6.188
    7    HB2  ALA   8           1HB      ALA   8 -13.774   2.203   7.718
    8    HB3  ALA   8           2HB      ALA   8 -12.662   3.343   6.962
    9    H    LYS   9           H        LYS   9 -12.425   4.482   5.527
   10    HA   LYS   9           HA       LYS   9 -12.925   4.516   2.643
   11    HB2  LYS   9           2HB      LYS   9 -11.750   6.711   2.517
   12    HB3  LYS   9           1HB      LYS   9 -13.303   6.784   3.332
   13    HG2  LYS   9           2HG      LYS   9 -12.298   7.034   5.445
   14    HG3  LYS   9           1HG      LYS   9 -10.710   6.569   4.829
   15    HD2  LYS   9           2HD      LYS   9 -10.937   9.004   5.211
   16    HD3  LYS   9           1HD      LYS   9 -10.554   8.595   3.540
   17    HE2  LYS   9           2HE      LYS   9 -12.253  10.367   3.707
   18    HE3  LYS   9           1HE      LYS   9 -12.874   8.931   2.893
   19    HZ1  LYS   9           3HZ      LYS   9 -13.343   9.660   5.744
   20    HZ2  LYS   9           1HZ      LYS   9 -13.956   8.282   4.968
   21    HZ3  LYS   9           2HZ      LYS   9 -14.470   9.822   4.485
   22    H    CYS  10           H        CYS  10 -11.160   4.246   1.384
   23    HA   CYS  10           HA       CYS  10  -9.348   2.367   2.360
   24    HB2  CYS  10           2HB      CYS  10 -10.231   2.638   0.037
   25    HB3  CYS  10           1HB      CYS  10  -9.155   4.008  -0.158
   26    H    GLY  11           H        GLY  11  -7.342   2.485   3.099
   27    HA2  GLY  11           2HA      GLY  11  -6.030   4.964   3.612
   28    HA3  GLY  11           1HA      GLY  11  -5.319   3.367   3.787
   29    H    ALA  12           H        ALA  12  -6.439   3.319   0.749
   30    HA   ALA  12           HA       ALA  12  -3.976   4.498  -0.372
   31    HB1  ALA  12           3HB      ALA  12  -5.510   2.113  -1.401
   32    HB2  ALA  12           1HB      ALA  12  -3.981   2.054  -0.525
   33    HB3  ALA  12           2HB      ALA  12  -4.054   2.799  -2.122
   34    H    CYS  13           H        CYS  13  -7.422   4.271  -0.535
   35    HA   CYS  13           HA       CYS  13  -7.482   6.010  -2.924
   36    HB2  CYS  13           2HB      CYS  13  -9.685   4.291  -1.749
   37    HB3  CYS  13           1HB      CYS  13  -9.834   5.301  -3.177
   38    H    GLU  14           H        GLU  14  -9.177   7.718  -2.903
   39    HA   GLU  14           HA       GLU  14 -10.081   8.479  -0.217
   40    HB2  GLU  14           2HB      GLU  14 -10.365   9.814  -2.914
   41    HB3  GLU  14           1HB      GLU  14 -11.293  10.333  -1.514
   42    HG2  GLU  14           2HG      GLU  14  -9.403  11.767  -1.761
   43    HG3  GLU  14           1HG      GLU  14  -9.177  10.779  -0.321
   44    H    LYS  15           H        LYS  15 -10.769   6.269  -2.357
   45    HA   LYS  15           HA       LYS  15 -13.632   6.420  -2.554
   46    HB2  LYS  15           2HB      LYS  15 -11.768   4.095  -3.106
   47    HB3  LYS  15           1HB      LYS  15 -13.434   4.252  -3.649
   48    HG2  LYS  15           2HG      LYS  15 -12.873   6.019  -5.135
   49    HG3  LYS  15           1HG      LYS  15 -11.252   6.161  -4.450
   50    HD2  LYS  15           2HD      LYS  15 -10.779   3.849  -5.246
   51    HD3  LYS  15           1HD      LYS  15 -12.357   3.842  -6.037
   52    HE2  LYS  15           2HE      LYS  15 -11.697   5.752  -7.395
   53    HE3  LYS  15           1HE      LYS  15 -10.133   5.800  -6.583
   54    HZ1  LYS  15           3HZ      LYS  15  -9.606   3.648  -7.502
   55    HZ2  LYS  15           1HZ      LYS  15 -10.036   4.708  -8.751
   56    HZ3  LYS  15           2HZ      LYS  15 -11.136   3.530  -8.225
   57    H    THR  16           H        THR  16 -15.005   4.693  -1.691
   58    HA   THR  16           HA       THR  16 -14.462   4.429   1.124
   59    HB   THR  16           HB       THR  16 -16.820   3.183   0.787
   60    HG1  THR  16           HG1      THR  16 -16.700   3.535  -1.529
   61   HG21  THR  16          3HG2      THR  16 -16.396   5.114   2.241
   62   HG22  THR  16          1HG2      THR  16 -17.882   5.328   1.314
   63   HG23  THR  16          2HG2      THR  16 -16.412   6.176   0.833
   64    H    VAL  17           H        VAL  17 -14.172   2.613   2.277
   65    HA   VAL  17           HA       VAL  17 -13.861   0.087   0.802
   66    HB   VAL  17           HB       VAL  17 -12.724   1.016   3.437
   67   HG11  VAL  17          1HG1      VAL  17 -13.477  -1.306   3.684
   68   HG12  VAL  17          2HG1      VAL  17 -11.717  -1.194   3.688
   69   HG13  VAL  17          3HG1      VAL  17 -12.561  -1.749   2.243
   70   HG21  VAL  17          3HG2      VAL  17 -11.448   0.064   0.893
   71   HG22  VAL  17          1HG2      VAL  17 -10.586   0.525   2.361
   72   HG23  VAL  17          2HG2      VAL  17 -11.515   1.731   1.470
   73    H    TYR  18           H        TYR  18 -15.446  -1.342   1.007
   74    HA   TYR  18           HA       TYR  18 -17.143  -1.195   3.414
   75    HD1  TYR  18           HD1      TYR  18 -18.484   0.534   3.018
   76    HD2  TYR  18           HD2      TYR  18 -18.692  -0.978  -0.955
   77    HE1  TYR  18           HE1      TYR  18 -19.184   2.748   2.216
   78    HE2  TYR  18           HE2      TYR  18 -19.387   1.235  -1.767
   79    HH   TYR  18           HH       TYR  18 -19.010   4.004  -0.119
   80    HB2  TYR  18           2HB      TYR  18 -17.875  -2.343   0.710
   81    HB3  TYR  18           1HB      TYR  18 -18.942  -2.185   2.100
   82    H    HIS  19           H        HIS  19 -18.129  -3.383   3.969
   83    HA   HIS  19           HA       HIS  19 -16.164  -5.307   4.437
   84    HD1  HIS  19           HD1      HIS  19 -20.461  -7.419   5.286
   85    HD2  HIS  19           HD2      HIS  19 -19.691  -4.218   2.742
   86    HE1  HIS  19           HE1      HIS  19 -22.599  -7.020   4.018
   87    HE2  HIS  19           HE2      HIS  19 -22.035  -5.228   2.344
   88    HB2  HIS  19           2HB      HIS  19 -17.972  -6.807   5.108
   89    HB3  HIS  19           1HB      HIS  19 -18.259  -5.185   5.723
   90    H    ALA  20           H        ALA  20 -17.795  -4.602   1.577
   91    HA   ALA  20           HA       ALA  20 -17.942  -6.979   0.179
   92    HB1  ALA  20           3HB      ALA  20 -17.130  -4.254  -0.837
   93    HB2  ALA  20           1HB      ALA  20 -18.784  -4.844  -0.661
   94    HB3  ALA  20           2HB      ALA  20 -17.701  -5.596  -1.832
   95    H    GLU  21           H        GLU  21 -15.186  -4.739   0.450
   96    HA   GLU  21           HA       GLU  21 -13.405  -6.969  -0.166
   97    HB2  GLU  21           2HB      GLU  21 -12.116  -5.658  -1.734
   98    HB3  GLU  21           1HB      GLU  21 -13.781  -5.752  -2.272
   99    HG2  GLU  21           2HG      GLU  21 -14.170  -3.473  -1.537
  100    HG3  GLU  21           1HG      GLU  21 -12.537  -3.395  -0.872
  101    H    GLU  22           H        GLU  22 -13.898  -6.008   2.350
  102    HA   GLU  22           HA       GLU  22 -11.762  -4.144   3.002
  103    HB2  GLU  22           2HB      GLU  22 -13.882  -3.776   4.122
  104    HB3  GLU  22           1HB      GLU  22 -13.869  -5.422   4.747
  105    HG2  GLU  22           2HG      GLU  22 -11.773  -4.871   5.966
  106    HG3  GLU  22           1HG      GLU  22 -11.970  -3.199   5.445
  107    H    ILE  23           H        ILE  23  -9.803  -4.922   3.295
  108    HA   ILE  23           HA       ILE  23  -9.529  -7.386   4.885
  109    HB   ILE  23           HB       ILE  23  -7.602  -6.065   2.966
  110   HG12  ILE  23          2HG1      ILE  23  -8.341  -8.970   3.075
  111   HG13  ILE  23          1HG1      ILE  23  -9.425  -7.821   2.290
  112   HG21  ILE  23          1HG2      ILE  23  -5.936  -7.732   3.651
  113   HG22  ILE  23          2HG2      ILE  23  -7.023  -8.291   4.922
  114   HG23  ILE  23          3HG2      ILE  23  -6.365  -6.656   4.981
  115   HD11  ILE  23          3HD1      ILE  23  -6.560  -8.382   1.562
  116   HD12  ILE  23          1HD1      ILE  23  -7.593  -7.187   0.780
  117   HD13  ILE  23          2HD1      ILE  23  -7.993  -8.902   0.676
  118    H    GLN  24           H        GLN  24  -9.018  -7.095   6.942
  119    HA   GLN  24           HA       GLN  24  -8.201  -4.479   7.866
  120    HB2  GLN  24           2HB      GLN  24  -8.477  -7.000   9.513
  121    HB3  GLN  24           1HB      GLN  24  -8.484  -5.342  10.092
  122    HG2  GLN  24           2HG      GLN  24 -10.712  -5.996  10.185
  123    HG3  GLN  24           1HG      GLN  24 -10.608  -5.049   8.703
  124   HE21  GLN  24          1HE2      GLN  24 -12.443  -6.063   7.819
  125   HE22  GLN  24          2HE2      GLN  24 -12.379  -7.700   7.245
  126    H    CYS  25           H        CYS  25  -6.120  -4.007   7.425
  127    HA   CYS  25           HA       CYS  25  -4.116  -6.102   7.879
  128    HG   CYS  25           HG       CYS  25  -1.682  -5.275   5.020
  129    HB2  CYS  25           2HB      CYS  25  -4.188  -5.070   5.619
  130    HB3  CYS  25           1HB      CYS  25  -3.813  -3.515   6.345
  131    H    ASN  26           H        ASN  26  -3.429  -6.038   9.870
  132    HA   ASN  26           HA       ASN  26  -2.214  -5.424  11.669
  133    HB2  ASN  26           2HB      ASN  26  -0.773  -4.203  10.031
  134    HB3  ASN  26           1HB      ASN  26  -1.744  -2.763  10.314
  135   HD21  ASN  26          1HD2      ASN  26  -1.448  -1.591  12.162
  136   HD22  ASN  26          2HD2      ASN  26  -0.205  -1.926  13.320
  137    H    GLY  27           H        GLY  27  -4.273  -2.739  10.543
  138    HA2  GLY  27           2HA      GLY  27  -6.011  -2.910  12.739
  139    HA3  GLY  27           1HA      GLY  27  -4.805  -1.686  13.105
  140    H    ARG  28           H        ARG  28  -5.824  -2.211   9.811
  141    HA   ARG  28           HA       ARG  28  -7.762  -0.062   9.932
  142    HE   ARG  28           HE       ARG  28  -6.088   3.180  10.058
  143    HB2  ARG  28           2HB      ARG  28  -5.560   1.065   9.707
  144    HB3  ARG  28           1HB      ARG  28  -5.294   0.194   8.203
  145    HG2  ARG  28           2HG      ARG  28  -7.011   1.360   7.099
  146    HG3  ARG  28           1HG      ARG  28  -7.678   1.970   8.613
  147    HD2  ARG  28           2HD      ARG  28  -5.003   2.712   7.445
  148    HD3  ARG  28           1HD      ARG  28  -6.456   3.708   7.405
  149   HH11  ARG  28          1HH1      ARG  28  -4.105   4.585   7.533
  150   HH12  ARG  28          2HH1      ARG  28  -3.191   5.571   8.628
  151   HH21  ARG  28          1HH2      ARG  28  -4.884   4.499  11.488
  152   HH22  ARG  28          2HH2      ARG  28  -3.642   5.541  10.858
  153    H    SER  29           H        SER  29  -9.149  -0.007   8.200
  154    HA   SER  29           HA       SER  29  -9.397  -2.428   6.691
  155    HG   SER  29           HG       SER  29 -12.337  -1.805   7.758
  156    HB2  SER  29           2HB      SER  29 -11.017   0.127   6.558
  157    HB3  SER  29           1HB      SER  29 -11.486  -1.434   5.884
  158    H    PHE  30           H        PHE  30  -8.633  -2.816   4.725
  159    HA   PHE  30           HA       PHE  30  -8.139  -0.551   2.909
  160    HD1  PHE  30           HD2      PHE  30  -5.819   0.660   2.799
  161    HD2  PHE  30           HD1      PHE  30  -5.303  -2.717   5.333
  162    HE1  PHE  30           HE2      PHE  30  -4.432   2.017   4.308
  163    HE2  PHE  30           HE1      PHE  30  -3.919  -1.365   6.855
  164    HZ   PHE  30           HZ       PHE  30  -3.443   0.976   6.334
  165    HB2  PHE  30           2HB      PHE  30  -6.366  -2.977   3.297
  166    HB3  PHE  30           1HB      PHE  30  -6.158  -1.774   2.030
  167    H    HIS  31           H        HIS  31  -8.330  -1.048   0.662
  168    HA   HIS  31           HA       HIS  31 -10.429  -2.827  -0.001
  169    HD2  HIS  31           HD2      HIS  31 -12.146  -1.586  -0.444
  170    HE1  HIS  31           HE1      HIS  31 -11.739   2.068  -2.503
  171    HE2  HIS  31           HE2      HIS  31 -13.227   0.702  -1.008
  172    HB2  HIS  31           2HB      HIS  31  -8.483  -1.219  -1.623
  173    HB3  HIS  31           1HB      HIS  31  -9.517  -2.396  -2.413
  174    H    LYS  32           H        LYS  32 -10.444  -4.781  -1.025
  175    HA   LYS  32           HA       LYS  32  -8.227  -6.527  -0.989
  176    HB2  LYS  32           2HB      LYS  32 -10.555  -7.317  -1.090
  177    HB3  LYS  32           1HB      LYS  32 -10.752  -6.575  -2.668
  178    HG2  LYS  32           2HG      LYS  32  -9.076  -8.115  -3.587
  179    HG3  LYS  32           1HG      LYS  32  -8.935  -8.882  -2.001
  180    HD2  LYS  32           2HD      LYS  32 -11.290  -9.497  -2.075
  181    HD3  LYS  32           1HD      LYS  32 -11.467  -8.687  -3.630
  182    HE2  LYS  32           2HE      LYS  32  -9.886 -10.254  -4.633
  183    HE3  LYS  32           1HE      LYS  32  -9.684 -11.055  -3.074
  184    HZ1  LYS  32           3HZ      LYS  32 -12.035 -11.632  -3.109
  185    HZ2  LYS  32           1HZ      LYS  32 -11.243 -12.252  -4.475
  186    HZ3  LYS  32           2HZ      LYS  32 -12.220 -10.874  -4.615
  187    H    THR  33           H        THR  33  -9.484  -4.210  -3.248
  188    HA   THR  33           HA       THR  33  -7.723  -4.871  -5.417
  189    HB   THR  33           HB       THR  33  -9.132  -2.232  -5.020
  190    HG1  THR  33           HG1      THR  33 -10.732  -3.772  -4.705
  191   HG21  THR  33          3HG2      THR  33  -7.610  -2.391  -6.933
  192   HG22  THR  33          1HG2      THR  33  -9.288  -2.278  -7.466
  193   HG23  THR  33          2HG2      THR  33  -8.458  -3.835  -7.493
  194    H    CYS  34           H        CYS  34  -7.183  -3.494  -2.442
  195    HA   CYS  34           HA       CYS  34  -4.847  -2.009  -3.424
  196    HB2  CYS  34           2HB      CYS  34  -6.742  -1.088  -1.252
  197    HB3  CYS  34           1HB      CYS  34  -5.256  -0.271  -1.730
  198    H    PHE  35           H        PHE  35  -5.534  -4.687  -1.944
  199    HA   PHE  35           HA       PHE  35  -4.090  -4.357   0.513
  200    HD1  PHE  35           HD2      PHE  35  -4.599  -5.518   2.565
  201    HD2  PHE  35           HD1      PHE  35  -3.520  -8.626  -0.130
  202    HE1  PHE  35           HE2      PHE  35  -3.486  -6.722   4.402
  203    HE2  PHE  35           HE1      PHE  35  -2.411  -9.836   1.696
  204    HZ   PHE  35           HZ       PHE  35  -2.276  -8.732   3.980
  205    HB2  PHE  35           2HB      PHE  35  -5.851  -6.092   0.281
  206    HB3  PHE  35           1HB      PHE  35  -4.829  -6.935  -0.886
  207    H    HIS  36           H        HIS  36  -3.306  -4.853  -2.723
  208    HA   HIS  36           HA       HIS  36  -0.680  -5.884  -2.114
  209    HD1  HIS  36           HD1      HIS  36  -3.841  -6.432  -4.935
  210    HD2  HIS  36           HD2      HIS  36  -1.357  -3.215  -5.826
  211    HE1  HIS  36           HE1      HIS  36  -5.129  -5.009  -6.565
  212    HE2  HIS  36           HE2      HIS  36  -3.679  -2.983  -6.955
  213    HB2  HIS  36           2HB      HIS  36  -0.284  -5.547  -4.605
  214    HB3  HIS  36           1HB      HIS  36  -1.475  -6.754  -4.143
  215    H    CYS  37           H        CYS  37   1.170  -4.600  -3.340
  216    HA   CYS  37           HA       CYS  37   1.833  -2.862  -1.363
  217    HB2  CYS  37           2HB      CYS  37   3.374  -3.950  -2.982
  218    HB3  CYS  37           1HB      CYS  37   2.918  -2.737  -4.168
  219    H    MET  38           H        MET  38   1.610  -0.831  -0.848
  220    HA   MET  38           HA       MET  38  -0.208   0.860  -2.255
  221    HB2  MET  38           2HB      MET  38   1.651   1.505   0.041
  222    HB3  MET  38           1HB      MET  38   0.313   2.504  -0.505
  223    HG2  MET  38           2HG      MET  38   0.047  -0.279   0.600
  224    HG3  MET  38           1HG      MET  38  -0.192   1.206   1.520
  225    HE1  MET  38           3HE      MET  38  -2.603   0.245   2.236
  226    HE2  MET  38           1HE      MET  38  -2.292  -1.195   1.264
  227    HE3  MET  38           2HE      MET  38  -3.803  -0.305   1.069
  228    H    ALA  39           H        ALA  39   3.154   0.292  -2.457
  229    HA   ALA  39           HA       ALA  39   3.710   2.979  -3.470
  230    HB1  ALA  39           3HB      ALA  39   6.063   2.385  -3.276
  231    HB2  ALA  39           1HB      ALA  39   5.618   0.742  -2.815
  232    HB3  ALA  39           2HB      ALA  39   5.210   2.094  -1.759
  233    H    CYS  40           H        CYS  40   4.253  -0.425  -4.470
  234    HA   CYS  40           HA       CYS  40   4.543   0.614  -7.213
  235    HB2  CYS  40           2HB      CYS  40   6.034  -1.208  -7.711
  236    HB3  CYS  40           1HB      CYS  40   6.604  -0.398  -6.256
  237    H    ARG  41           H        ARG  41   2.416  -0.870  -5.296
  238    HA   ARG  41           HA       ARG  41   0.552  -2.105  -5.562
  239    HE   ARG  41           HE       ARG  41  -1.709   1.702  -6.491
  240    HB2  ARG  41           2HB      ARG  41   1.029  -1.460  -8.471
  241    HB3  ARG  41           1HB      ARG  41  -0.400  -2.302  -7.887
  242    HG2  ARG  41           2HG      ARG  41   0.449   0.467  -7.049
  243    HG3  ARG  41           1HG      ARG  41  -0.797   0.096  -8.241
  244    HD2  ARG  41           2HD      ARG  41  -2.060  -1.115  -6.495
  245    HD3  ARG  41           1HD      ARG  41  -0.835  -0.647  -5.317
  246   HH11  ARG  41          1HH1      ARG  41  -3.104  -0.863  -4.551
  247   HH12  ARG  41          2HH1      ARG  41  -4.348   0.141  -3.884
  248   HH21  ARG  41          1HH2      ARG  41  -3.341   3.025  -5.603
  249   HH22  ARG  41          2HH2      ARG  41  -4.477   2.349  -4.478
  250    H    LYS  42           H        LYS  42   3.338  -3.280  -5.822
  251    HA   LYS  42           HA       LYS  42   3.369  -5.679  -7.194
  252    HB2  LYS  42           2HB      LYS  42   5.229  -4.814  -5.813
  253    HB3  LYS  42           1HB      LYS  42   4.303  -5.152  -4.360
  254    HG2  LYS  42           2HG      LYS  42   5.824  -6.910  -4.540
  255    HG3  LYS  42           1HG      LYS  42   4.289  -7.572  -5.108
  256    HD2  LYS  42           2HD      LYS  42   4.972  -7.298  -7.405
  257    HD3  LYS  42           1HD      LYS  42   6.457  -6.491  -6.899
  258    HE2  LYS  42           2HE      LYS  42   7.043  -8.609  -5.660
  259    HE3  LYS  42           1HE      LYS  42   5.684  -9.371  -6.489
  260    HZ1  LYS  42           3HZ      LYS  42   7.699  -9.793  -7.691
  261    HZ2  LYS  42           1HZ      LYS  42   8.064  -8.136  -7.759
  262    HZ3  LYS  42           2HZ      LYS  42   6.733  -8.749  -8.607
  263    H    ALA  43           H        ALA  43   2.300  -7.599  -6.996
  264    HA   ALA  43           HA       ALA  43  -0.057  -7.741  -5.444
  265    HB1  ALA  43           3HB      ALA  43   0.246  -8.959  -7.567
  266    HB2  ALA  43           1HB      ALA  43  -0.255 -10.020  -6.249
  267    HB3  ALA  43           2HB      ALA  43   1.426 -10.003  -6.779
  268    H    LEU  44           H        LEU  44   0.046  -7.751  -3.280
  269    HA   LEU  44           HA       LEU  44   2.048  -9.365  -1.915
  270    HG   LEU  44           HG       LEU  44   2.125  -6.575   0.419
  271    HB2  LEU  44           2HB      LEU  44   0.194  -7.197  -1.078
  272    HB3  LEU  44           1HB      LEU  44   0.648  -8.385   0.126
  273   HD11  LEU  44          1HD1      LEU  44   3.577  -8.618  -1.264
  274   HD12  LEU  44          2HD1      LEU  44   3.223  -8.759   0.459
  275   HD13  LEU  44          3HD1      LEU  44   4.312  -7.498  -0.116
  276   HD21  LEU  44          3HD2      LEU  44   1.793  -5.343  -1.574
  277   HD22  LEU  44          1HD2      LEU  44   2.494  -6.627  -2.562
  278   HD23  LEU  44          2HD2      LEU  44   3.514  -5.708  -1.455
  279    H    ASP  45           H        ASP  45   1.647 -11.173  -0.860
  280    HA   ASP  45           HA       ASP  45  -1.130 -12.125  -0.714
  281    HB2  ASP  45           2HB      ASP  45   0.588 -13.536  -1.949
  282    HB3  ASP  45           1HB      ASP  45   1.408 -13.757  -0.407
  283    H    SER  46           H        SER  46  -1.291 -13.681   1.377
  284    HA   SER  46           HA       SER  46  -1.235 -11.959   3.570
  285    HG   SER  46           HG       SER  46  -3.386 -13.072   3.338
  286    HB2  SER  46           2HB      SER  46  -1.298 -14.983   3.612
  287    HB3  SER  46           1HB      SER  46  -1.861 -13.907   4.889
  288    H    THR  47           H        THR  47   1.133 -14.280   2.434
  289    HA   THR  47           HA       THR  47   2.624 -14.257   4.900
  290    HB   THR  47           HB       THR  47   4.245 -15.657   3.506
  291    HG1  THR  47           HG1      THR  47   3.269 -16.491   1.557
  292   HG21  THR  47          3HG2      THR  47   2.801 -17.637   3.604
  293   HG22  THR  47          1HG2      THR  47   1.388 -16.598   3.799
  294   HG23  THR  47          2HG2      THR  47   2.627 -16.645   5.052
  295    H    THR  48           H        THR  48   2.637 -12.314   2.061
  296    HA   THR  48           HA       THR  48   5.520 -11.835   2.301
  297    HB   THR  48           HB       THR  48   5.307 -10.765   0.044
  298    HG1  THR  48           HG1      THR  48   3.204 -10.275  -0.210
  299   HG21  THR  48          3HG2      THR  48   6.069 -13.077   0.290
  300   HG22  THR  48          1HG2      THR  48   5.086 -12.893  -1.164
  301   HG23  THR  48          2HG2      THR  48   4.397 -13.639   0.278
  302    H    VAL  49           H        VAL  49   2.471 -10.207   2.725
  303    HA   VAL  49           HA       VAL  49   3.361  -7.591   2.174
  304    HB   VAL  49           HB       VAL  49   1.048  -7.806   2.134
  305   HG11  VAL  49          1HG1      VAL  49  -0.311  -8.625   4.022
  306   HG12  VAL  49          2HG1      VAL  49   1.168  -8.968   4.919
  307   HG13  VAL  49          3HG1      VAL  49   0.815  -9.852   3.435
  308   HG21  VAL  49          3HG2      VAL  49   1.717  -6.451   4.738
  309   HG22  VAL  49          1HG2      VAL  49   0.198  -6.278   3.857
  310   HG23  VAL  49          2HG2      VAL  49   1.706  -5.712   3.137
  311    H    ALA  50           H        ALA  50   4.535  -6.217   3.222
  312    HA   ALA  50           HA       ALA  50   5.229  -6.731   6.022
  313    HB1  ALA  50           3HB      ALA  50   7.068  -5.157   5.662
  314    HB2  ALA  50           1HB      ALA  50   6.496  -4.862   4.020
  315    HB3  ALA  50           2HB      ALA  50   7.103  -6.457   4.468
  316    H    ALA  51           H        ALA  51   3.846  -5.784   7.366
  317    HA   ALA  51           HA       ALA  51   2.843  -3.111   6.705
  318    HB1  ALA  51           3HB      ALA  51   1.787  -5.123   8.691
  319    HB2  ALA  51           1HB      ALA  51   1.122  -4.792   7.092
  320    HB3  ALA  51           2HB      ALA  51   1.080  -3.546   8.339
  321    H    HIS  52           H        HIS  52   3.031  -1.441   8.122
  322    HA   HIS  52           HA       HIS  52   4.490  -1.871  10.619
  323    HD1  HIS  52           HD1      HIS  52   7.698  -1.109  11.037
  324    HD2  HIS  52           HD2      HIS  52   5.310   2.246  10.463
  325    HE1  HIS  52           HE1      HIS  52   8.556   0.615  12.646
  326    HE2  HIS  52           HE2      HIS  52   6.866   2.480  12.509
  327    HB2  HIS  52           2HB      HIS  52   6.208  -1.271   8.975
  328    HB3  HIS  52           1HB      HIS  52   5.294   0.160   8.515
  329    H    GLU  53           H        GLU  53   2.636  -1.454  11.735
  330    HA   GLU  53           HA       GLU  53   1.219  -0.221  12.968
  331    HB2  GLU  53           2HB      GLU  53   2.890   2.076  11.954
  332    HB3  GLU  53           1HB      GLU  53   1.680   2.214  13.225
  333    HG2  GLU  53           2HG      GLU  53   2.909   0.647  14.607
  334    HG3  GLU  53           1HG      GLU  53   4.093   0.412  13.324
  335    H    SER  54           H        SER  54   1.622   1.960  10.143
  336    HA   SER  54           HA       SER  54  -1.244   1.558   9.616
  337    HG   SER  54           HG       SER  54  -1.017   2.833  11.598
  338    HB2  SER  54           2HB      SER  54   0.158   4.241   9.650
  339    HB3  SER  54           1HB      SER  54  -1.531   3.964   9.224
  340    H    GLU  55           H        GLU  55   1.648   1.030   8.430
  341    HA   GLU  55           HA       GLU  55   0.901   1.752   5.670
  342    HB2  GLU  55           2HB      GLU  55   3.668   1.447   6.852
  343    HB3  GLU  55           1HB      GLU  55   3.326   1.737   5.153
  344    HG2  GLU  55           2HG      GLU  55   2.279   3.880   5.759
  345    HG3  GLU  55           1HG      GLU  55   2.715   3.589   7.444
  346    H    ILE  56           H        ILE  56   1.342   0.215   4.036
  347    HA   ILE  56           HA       ILE  56   2.314  -2.421   4.808
  348    HB   ILE  56           HB       ILE  56   0.250  -3.303   4.949
  349   HG12  ILE  56          2HG1      ILE  56   0.199  -2.750   1.977
  350   HG13  ILE  56          1HG1      ILE  56   0.883  -4.168   2.766
  351   HG21  ILE  56          1HG2      ILE  56  -0.771  -1.124   5.228
  352   HG22  ILE  56          2HG2      ILE  56  -1.808  -2.184   4.273
  353   HG23  ILE  56          3HG2      ILE  56  -0.864  -0.924   3.478
  354   HD11  ILE  56          3HD1      ILE  56  -1.277  -4.652   1.775
  355   HD12  ILE  56          1HD1      ILE  56  -2.018  -3.383   2.750
  356   HD13  ILE  56          2HD1      ILE  56  -1.338  -4.811   3.531
  357    H    TYR  57           H        TYR  57   3.681  -3.155   3.303
  358    HA   TYR  57           HA       TYR  57   3.338  -2.332   0.527
  359    HD1  TYR  57           HD2      TYR  57   4.274   0.330  -0.365
  360    HD2  TYR  57           HD1      TYR  57   5.339  -0.401   3.683
  361    HE1  TYR  57           HE2      TYR  57   3.640   2.636   0.209
  362    HE2  TYR  57           HE1      TYR  57   4.716   1.895   4.273
  363    HH   TYR  57           HH       TYR  57   4.321   4.004   3.352
  364    HB2  TYR  57           2HB      TYR  57   5.969  -1.940   1.983
  365    HB3  TYR  57           1HB      TYR  57   5.661  -1.609   0.283
  366    H    CYS  58           H        CYS  58   5.094  -3.380  -0.850
  367    HA   CYS  58           HA       CYS  58   5.181  -6.180  -0.321
  368    HB2  CYS  58           2HB      CYS  58   6.301  -6.355  -2.438
  369    HB3  CYS  58           1HB      CYS  58   5.060  -5.121  -2.611
  370    H    LYS  59           H        LYS  59   7.509  -7.231  -0.755
  371    HA   LYS  59           HA       LYS  59   9.142  -6.348   1.447
  372    HB2  LYS  59           2HB      LYS  59   9.479  -8.577  -0.561
  373    HB3  LYS  59           1HB      LYS  59  10.630  -8.254   0.727
  374    HG2  LYS  59           2HG      LYS  59   8.853  -8.626   2.385
  375    HG3  LYS  59           1HG      LYS  59   7.736  -9.012   1.073
  376    HD2  LYS  59           2HD      LYS  59   9.108 -10.897   0.419
  377    HD3  LYS  59           1HD      LYS  59  10.308 -10.482   1.644
  378    HE2  LYS  59           2HE      LYS  59   7.448 -11.251   2.205
  379    HE3  LYS  59           1HE      LYS  59   8.826 -12.344   2.318
  380    HZ1  LYS  59           3HZ      LYS  59   9.762 -10.878   4.034
  381    HZ2  LYS  59           1HZ      LYS  59   8.252 -11.503   4.482
  382    HZ3  LYS  59           2HZ      LYS  59   8.377  -9.898   3.958
  383    H    VAL  60           H        VAL  60   8.931  -5.590  -1.835
  384    HA   VAL  60           HA       VAL  60  11.740  -5.106  -2.275
  385    HB   VAL  60           HB       VAL  60   9.376  -4.237  -3.951
  386   HG11  VAL  60          1HG1      VAL  60  11.365  -2.927  -4.417
  387   HG12  VAL  60          2HG1      VAL  60  11.027  -4.024  -5.756
  388   HG13  VAL  60          3HG1      VAL  60  12.315  -4.398  -4.609
  389   HG21  VAL  60          3HG2      VAL  60  11.147  -6.666  -4.212
  390   HG22  VAL  60          1HG2      VAL  60   9.899  -6.173  -5.357
  391   HG23  VAL  60          2HG2      VAL  60   9.453  -6.660  -3.722
  392    H    CYS  61           H        CYS  61   8.831  -3.035  -1.991
  393    HA   CYS  61           HA       CYS  61  10.350  -0.626  -1.924
  394    HB2  CYS  61           2HB      CYS  61   7.518  -1.122  -0.995
  395    HB3  CYS  61           1HB      CYS  61   8.255   0.462  -1.233
  396    H    TYR  62           H        TYR  62   8.991  -2.713   0.588
  397    HA   TYR  62           HA       TYR  62   9.769  -1.079   2.776
  398    HD1  TYR  62           HD1      TYR  62  10.993  -4.095   4.854
  399    HD2  TYR  62           HD2      TYR  62   7.393  -1.829   4.694
  400    HE1  TYR  62           HE1      TYR  62  11.024  -3.875   7.301
  401    HE2  TYR  62           HE2      TYR  62   7.421  -1.600   7.139
  402    HH   TYR  62           HH       TYR  62   8.341  -2.717   9.079
  403    HB2  TYR  62           2HB      TYR  62   8.140  -3.072   2.768
  404    HB3  TYR  62           1HB      TYR  62   9.568  -4.094   2.844
  405    H    GLY  63           H        GLY  63  11.389  -3.384   0.742
  406    HA2  GLY  63           2HA      GLY  63  13.696  -3.681   2.437
  407    HA3  GLY  63           1HA      GLY  63  13.503  -4.309   0.809
  408    H    ARG  64           H        ARG  64  12.794  -1.513  -0.162
  409    HA   ARG  64           HA       ARG  64  15.555  -0.645  -0.442
  410    HE   ARG  64           HE       ARG  64  10.297   0.184  -3.224
  411    HB2  ARG  64           2HB      ARG  64  14.660   0.967  -2.131
  412    HB3  ARG  64           1HB      ARG  64  14.376  -0.723  -2.508
  413    HG2  ARG  64           2HG      ARG  64  12.061  -0.502  -1.756
  414    HG3  ARG  64           1HG      ARG  64  12.348   1.198  -1.375
  415    HD2  ARG  64           2HD      ARG  64  12.740   1.721  -3.663
  416    HD3  ARG  64           1HD      ARG  64  12.771   0.018  -4.111
  417   HH11  ARG  64          1HH1      ARG  64  12.039   2.563  -5.107
  418   HH12  ARG  64          2HH1      ARG  64  10.645   3.039  -6.023
  419   HH21  ARG  64          1HH2      ARG  64   8.461   0.804  -4.412
  420   HH22  ARG  64          2HH2      ARG  64   8.609   2.033  -5.644
  421    H    ARG  65           H        ARG  65  12.500   0.629   0.817
  422    HA   ARG  65           HA       ARG  65  13.485   3.166   1.545
  423    HE   ARG  65           HE       ARG  65  10.094   3.626   5.676
  424    HB2  ARG  65           2HB      ARG  65  11.119   2.821   1.457
  425    HB3  ARG  65           1HB      ARG  65  11.205   1.504   2.613
  426    HG2  ARG  65           2HG      ARG  65  11.691   3.000   4.402
  427    HG3  ARG  65           1HG      ARG  65  11.902   4.352   3.288
  428    HD2  ARG  65           2HD      ARG  65   9.694   4.726   3.141
  429    HD3  ARG  65           1HD      ARG  65   9.318   3.006   3.053
  430   HH11  ARG  65          1HH1      ARG  65   7.504   4.433   3.468
  431   HH12  ARG  65          2HH1      ARG  65   6.271   4.422   4.705
  432   HH21  ARG  65          1HH2      ARG  65   8.499   3.633   7.309
  433   HH22  ARG  65          2HH2      ARG  65   6.837   3.975   6.887
  434    H    TYR  66           H        TYR  66  13.368   0.085   3.271
  435    HA   TYR  66           HA       TYR  66  15.120   1.239   5.337
  436    HD1  TYR  66           HD1      TYR  66  14.063   1.710   7.580
  437    HD2  TYR  66           HD2      TYR  66  11.193  -0.715   5.584
  438    HE1  TYR  66           HE1      TYR  66  12.254   3.014   8.614
  439    HE2  TYR  66           HE2      TYR  66   9.375   0.588   6.605
  440    HH   TYR  66           HH       TYR  66   9.208   2.027   8.857
  441    HB2  TYR  66           2HB      TYR  66  13.425  -1.265   5.408
  442    HB3  TYR  66           1HB      TYR  66  14.512  -0.756   6.694
  Start of MODEL   10
    1    H1   GLY   7           1H       GLY   7 -19.678   2.746   7.481
    2    HA2  GLY   7           2HA      GLY   7 -18.012   0.565   6.552
    3    HA3  GLY   7           1HA      GLY   7 -18.465   1.725   5.312
    4    H    ALA   8           H        ALA   8 -16.057   1.871   5.284
    5    HA   ALA   8           HA       ALA   8 -15.252   4.163   6.925
    6    HB1  ALA   8           3HB      ALA   8 -13.580   1.673   6.551
    7    HB2  ALA   8           1HB      ALA   8 -14.315   2.216   8.058
    8    HB3  ALA   8           2HB      ALA   8 -13.031   3.169   7.308
    9    H    LYS   9           H        LYS   9 -12.685   4.458   5.933
   10    HA   LYS   9           HA       LYS   9 -13.147   4.679   3.038
   11    HB2  LYS   9           2HB      LYS   9 -11.613   6.630   3.060
   12    HB3  LYS   9           1HB      LYS   9 -13.076   6.899   3.998
   13    HG2  LYS   9           2HG      LYS   9 -11.880   6.561   6.057
   14    HG3  LYS   9           1HG      LYS   9 -10.418   6.114   5.174
   15    HD2  LYS   9           2HD      LYS   9 -11.784   8.802   5.021
   16    HD3  LYS   9           1HD      LYS   9 -10.369   8.443   6.015
   17    HE2  LYS   9           2HE      LYS   9  -9.128   7.831   3.976
   18    HE3  LYS   9           1HE      LYS   9 -10.537   8.258   3.007
   19    HZ1  LYS   9           3HZ      LYS   9  -8.869  10.027   3.092
   20    HZ2  LYS   9           1HZ      LYS   9  -9.059  10.136   4.772
   21    HZ3  LYS   9           2HZ      LYS   9 -10.351  10.528   3.745
   22    H    CYS  10           H        CYS  10 -11.586   3.996   1.703
   23    HA   CYS  10           HA       CYS  10  -9.923   1.916   2.520
   24    HB2  CYS  10           2HB      CYS  10 -10.889   2.509   0.225
   25    HB3  CYS  10           1HB      CYS  10  -9.523   3.594   0.059
   26    H    GLY  11           H        GLY  11  -7.994   1.907   3.446
   27    HA2  GLY  11           2HA      GLY  11  -6.436   4.261   3.841
   28    HA3  GLY  11           1HA      GLY  11  -5.926   2.612   4.179
   29    H    ALA  12           H        ALA  12  -6.885   2.336   1.147
   30    HA   ALA  12           HA       ALA  12  -4.197   2.868   0.091
   31    HB1  ALA  12           3HB      ALA  12  -4.951   0.552  -0.035
   32    HB2  ALA  12           1HB      ALA  12  -4.739   1.246  -1.642
   33    HB3  ALA  12           2HB      ALA  12  -6.357   1.057  -0.970
   34    H    CYS  13           H        CYS  13  -7.584   2.928  -1.091
   35    HA   CYS  13           HA       CYS  13  -6.801   5.234  -2.745
   36    HB2  CYS  13           2HB      CYS  13  -8.503   4.677  -4.308
   37    HB3  CYS  13           1HB      CYS  13  -7.694   3.164  -3.924
   38    H    GLU  14           H        GLU  14  -8.994   6.612  -3.168
   39    HA   GLU  14           HA       GLU  14  -9.718   7.418  -0.447
   40    HB2  GLU  14           2HB      GLU  14  -9.955   8.918  -3.067
   41    HB3  GLU  14           1HB      GLU  14 -10.382   9.562  -1.486
   42    HG2  GLU  14           2HG      GLU  14  -8.088   9.386  -0.753
   43    HG3  GLU  14           1HG      GLU  14  -7.631   8.637  -2.282
   44    H    LYS  15           H        LYS  15 -10.964   5.188  -2.005
   45    HA   LYS  15           HA       LYS  15 -13.712   6.188  -2.218
   46    HB2  LYS  15           2HB      LYS  15 -12.547   3.516  -3.030
   47    HB3  LYS  15           1HB      LYS  15 -14.218   4.015  -3.274
   48    HG2  LYS  15           2HG      LYS  15 -13.314   5.938  -4.638
   49    HG3  LYS  15           1HG      LYS  15 -11.747   5.135  -4.565
   50    HD2  LYS  15           2HD      LYS  15 -14.273   3.918  -5.679
   51    HD3  LYS  15           1HD      LYS  15 -12.981   4.636  -6.640
   52    HE2  LYS  15           2HE      LYS  15 -12.709   2.256  -4.810
   53    HE3  LYS  15           1HE      LYS  15 -12.808   2.196  -6.569
   54    HZ1  LYS  15           3HZ      LYS  15 -10.542   2.049  -6.056
   55    HZ2  LYS  15           1HZ      LYS  15 -10.619   3.280  -4.891
   56    HZ3  LYS  15           2HZ      LYS  15 -10.757   3.663  -6.534
   57    H    THR  16           H        THR  16 -15.424   4.740  -1.330
   58    HA   THR  16           HA       THR  16 -14.879   4.356   1.454
   59    HB   THR  16           HB       THR  16 -17.376   3.540   1.298
   60    HG1  THR  16           HG1      THR  16 -17.569   3.427  -0.921
   61   HG21  THR  16          3HG2      THR  16 -18.120   5.892   1.413
   62   HG22  THR  16          1HG2      THR  16 -16.535   6.405   0.838
   63   HG23  THR  16          2HG2      THR  16 -16.689   5.605   2.401
   64    H    VAL  17           H        VAL  17 -14.810   2.519   2.605
   65    HA   VAL  17           HA       VAL  17 -14.876  -0.016   1.110
   66    HB   VAL  17           HB       VAL  17 -13.322   0.727   3.594
   67   HG11  VAL  17          1HG1      VAL  17 -13.525  -1.953   2.224
   68   HG12  VAL  17          2HG1      VAL  17 -14.192  -1.549   3.804
   69   HG13  VAL  17          3HG1      VAL  17 -12.446  -1.555   3.561
   70   HG21  VAL  17          3HG2      VAL  17 -12.447  -0.152   0.854
   71   HG22  VAL  17          1HG2      VAL  17 -11.380   0.197   2.216
   72   HG23  VAL  17          2HG2      VAL  17 -12.346   1.488   1.497
   73    H    TYR  18           H        TYR  18 -16.444  -1.363   1.577
   74    HA   TYR  18           HA       TYR  18 -17.631  -1.297   4.266
   75    HD1  TYR  18           HD1      TYR  18 -20.323  -0.114   4.370
   76    HD2  TYR  18           HD2      TYR  18 -18.741  -0.164   0.424
   77    HE1  TYR  18           HE1      TYR  18 -21.153   2.169   4.016
   78    HE2  TYR  18           HE2      TYR  18 -19.568   2.120   0.056
   79    HH   TYR  18           HH       TYR  18 -21.315   3.610   0.944
   80    HB2  TYR  18           2HB      TYR  18 -18.925  -2.197   1.679
   81    HB3  TYR  18           1HB      TYR  18 -19.681  -2.220   3.270
   82    H    HIS  19           H        HIS  19 -18.732  -3.669   4.585
   83    HA   HIS  19           HA       HIS  19 -16.564  -5.350   5.031
   84    HD1  HIS  19           HD1      HIS  19 -19.575  -8.279   3.891
   85    HD2  HIS  19           HD2      HIS  19 -21.074  -4.559   5.007
   86    HE1  HIS  19           HE1      HIS  19 -21.922  -8.194   2.986
   87    HE2  HIS  19           HE2      HIS  19 -22.847  -5.977   3.750
   88    HB2  HIS  19           2HB      HIS  19 -18.149  -7.085   5.626
   89    HB3  HIS  19           1HB      HIS  19 -18.707  -5.534   6.238
   90    H    ALA  20           H        ALA  20 -18.514  -5.031   2.182
   91    HA   ALA  20           HA       ALA  20 -18.284  -7.488   0.944
   92    HB1  ALA  20           3HB      ALA  20 -18.193  -4.769  -0.355
   93    HB2  ALA  20           1HB      ALA  20 -19.656  -5.630   0.132
   94    HB3  ALA  20           2HB      ALA  20 -18.631  -6.289  -1.145
   95    H    GLU  21           H        GLU  21 -16.133  -4.700   0.459
   96    HA   GLU  21           HA       GLU  21 -14.220  -6.480  -0.897
   97    HB2  GLU  21           2HB      GLU  21 -15.239  -4.678  -2.262
   98    HB3  GLU  21           1HB      GLU  21 -14.637  -3.486  -1.129
   99    HG2  GLU  21           2HG      GLU  21 -13.244  -3.440  -3.038
  100    HG3  GLU  21           1HG      GLU  21 -12.325  -4.177  -1.731
  101    H    GLU  22           H        GLU  22 -14.538  -5.930   2.026
  102    HA   GLU  22           HA       GLU  22 -12.398  -4.129   2.732
  103    HB2  GLU  22           2HB      GLU  22 -14.381  -4.156   4.115
  104    HB3  GLU  22           1HB      GLU  22 -14.186  -5.877   4.425
  105    HG2  GLU  22           2HG      GLU  22 -11.971  -5.313   5.489
  106    HG3  GLU  22           1HG      GLU  22 -12.449  -3.619   5.382
  107    H    ILE  23           H        ILE  23 -10.395  -4.615   3.260
  108    HA   ILE  23           HA       ILE  23  -9.831  -7.268   4.365
  109    HB   ILE  23           HB       ILE  23  -8.952  -6.993   1.970
  110   HG12  ILE  23          2HG1      ILE  23  -6.911  -7.576   4.120
  111   HG13  ILE  23          1HG1      ILE  23  -8.170  -8.695   3.612
  112   HG21  ILE  23          1HG2      ILE  23  -6.805  -5.824   1.733
  113   HG22  ILE  23          2HG2      ILE  23  -7.039  -5.139   3.341
  114   HG23  ILE  23          3HG2      ILE  23  -8.166  -4.745   2.040
  115   HD11  ILE  23          3HD1      ILE  23  -6.040  -9.246   2.603
  116   HD12  ILE  23          1HD1      ILE  23  -5.945  -7.637   1.887
  117   HD13  ILE  23          2HD1      ILE  23  -7.207  -8.759   1.376
  118    H    GLN  24           H        GLN  24  -8.824  -7.132   6.326
  119    HA   GLN  24           HA       GLN  24  -8.174  -4.399   7.183
  120    HB2  GLN  24           2HB      GLN  24  -8.949  -6.812   8.816
  121    HB3  GLN  24           1HB      GLN  24  -8.475  -5.262   9.498
  122    HG2  GLN  24           2HG      GLN  24 -10.354  -4.230   8.200
  123    HG3  GLN  24           1HG      GLN  24 -10.884  -5.864   7.809
  124   HE21  GLN  24          1HE2      GLN  24 -12.247  -3.784   9.311
  125   HE22  GLN  24          2HE2      GLN  24 -12.573  -4.446  10.878
  126    H    CYS  25           H        CYS  25  -6.150  -3.907   7.177
  127    HA   CYS  25           HA       CYS  25  -4.199  -5.882   8.158
  128    HG   CYS  25           HG       CYS  25  -1.167  -4.532   5.638
  129    HB2  CYS  25           2HB      CYS  25  -3.831  -5.320   5.782
  130    HB3  CYS  25           1HB      CYS  25  -3.744  -3.612   6.199
  131    H    ASN  26           H        ASN  26  -3.421  -5.398  10.077
  132    HA   ASN  26           HA       ASN  26  -2.531  -4.286  11.831
  133    HB2  ASN  26           2HB      ASN  26  -1.174  -2.967  10.371
  134    HB3  ASN  26           1HB      ASN  26  -2.538  -1.948   9.924
  135   HD21  ASN  26          1HD2      ASN  26  -0.264  -2.751  12.445
  136   HD22  ASN  26          2HD2      ASN  26  -0.488  -1.302  13.362
  137    H    GLY  27           H        GLY  27  -4.655  -1.803  10.407
  138    HA2  GLY  27           2HA      GLY  27  -6.682  -2.201  12.390
  139    HA3  GLY  27           1HA      GLY  27  -5.681  -0.799  12.742
  140    H    ARG  28           H        ARG  28  -6.138  -1.647   9.438
  141    HA   ARG  28           HA       ARG  28  -8.104   0.519   9.148
  142    HE   ARG  28           HE       ARG  28  -4.231   3.646   9.636
  143    HB2  ARG  28           2HB      ARG  28  -5.652   0.070   7.435
  144    HB3  ARG  28           1HB      ARG  28  -6.915   1.243   7.096
  145    HG2  ARG  28           2HG      ARG  28  -6.371   2.431   9.157
  146    HG3  ARG  28           1HG      ARG  28  -5.113   1.245   9.510
  147    HD2  ARG  28           2HD      ARG  28  -3.948   1.875   7.452
  148    HD3  ARG  28           1HD      ARG  28  -5.203   3.064   7.103
  149   HH11  ARG  28          1HH1      ARG  28  -3.012   3.560   6.356
  150   HH12  ARG  28          2HH1      ARG  28  -1.804   4.775   6.623
  151   HH21  ARG  28          1HH2      ARG  28  -2.629   5.252  10.002
  152   HH22  ARG  28          2HH2      ARG  28  -1.604   5.748   8.690
  153    H    SER  29           H        SER  29  -9.653   0.225   7.597
  154    HA   SER  29           HA       SER  29  -9.801  -2.408   6.366
  155    HG   SER  29           HG       SER  29 -12.624  -2.454   7.545
  156    HB2  SER  29           2HB      SER  29 -11.790  -0.127   6.504
  157    HB3  SER  29           1HB      SER  29 -12.098  -1.656   5.685
  158    H    PHE  30           H        PHE  30  -8.889  -2.696   4.479
  159    HA   PHE  30           HA       PHE  30  -8.751  -0.477   2.541
  160    HD1  PHE  30           HD1      PHE  30  -6.448  -2.953   4.874
  161    HD2  PHE  30           HD2      PHE  30  -5.755   0.176   2.079
  162    HE1  PHE  30           HE1      PHE  30  -4.733  -2.010   6.364
  163    HE2  PHE  30           HE2      PHE  30  -4.037   1.124   3.562
  164    HZ   PHE  30           HZ       PHE  30  -3.523   0.031   5.711
  165    HB2  PHE  30           2HB      PHE  30  -7.238  -3.108   2.572
  166    HB3  PHE  30           1HB      PHE  30  -6.986  -1.777   1.446
  167    H    HIS  31           H        HIS  31  -9.008  -1.223   0.215
  168    HA   HIS  31           HA       HIS  31 -11.039  -3.277  -0.091
  169    HD2  HIS  31           HD2      HIS  31 -13.124  -2.077  -0.567
  170    HE1  HIS  31           HE1      HIS  31 -12.759   1.778  -2.277
  171    HE2  HIS  31           HE2      HIS  31 -14.340   0.144  -1.156
  172    HB2  HIS  31           2HB      HIS  31  -9.532  -1.603  -2.116
  173    HB3  HIS  31           1HB      HIS  31 -10.701  -2.837  -2.563
  174    H    LYS  32           H        LYS  32 -10.670  -5.340  -0.868
  175    HA   LYS  32           HA       LYS  32  -8.131  -6.498  -0.576
  176    HB2  LYS  32           2HB      LYS  32 -10.139  -7.861  -0.477
  177    HB3  LYS  32           1HB      LYS  32 -10.527  -7.471  -2.148
  178    HG2  LYS  32           2HG      LYS  32  -8.470  -8.629  -2.865
  179    HG3  LYS  32           1HG      LYS  32  -8.167  -9.073  -1.183
  180    HD2  LYS  32           2HD      LYS  32 -10.204 -10.360  -1.110
  181    HD3  LYS  32           1HD      LYS  32 -10.640  -9.825  -2.737
  182    HE2  LYS  32           2HE      LYS  32  -8.668 -10.935  -3.639
  183    HE3  LYS  32           1HE      LYS  32  -8.206 -11.450  -2.019
  184    HZ1  LYS  32           3HZ      LYS  32 -10.101 -12.847  -1.881
  185    HZ2  LYS  32           1HZ      LYS  32  -9.355 -13.169  -3.373
  186    HZ3  LYS  32           2HZ      LYS  32 -10.762 -12.221  -3.311
  187    H    THR  33           H        THR  33  -9.816  -5.198  -3.355
  188    HA   THR  33           HA       THR  33  -7.927  -5.891  -5.332
  189    HB   THR  33           HB       THR  33  -9.769  -3.492  -5.315
  190    HG1  THR  33           HG1      THR  33 -10.819  -5.576  -4.878
  191   HG21  THR  33          3HG2      THR  33  -8.629  -5.111  -7.598
  192   HG22  THR  33          1HG2      THR  33  -8.097  -3.498  -7.119
  193   HG23  THR  33          2HG2      THR  33  -9.729  -3.739  -7.744
  194    H    CYS  34           H        CYS  34  -8.053  -3.321  -2.976
  195    HA   CYS  34           HA       CYS  34  -5.885  -1.850  -4.230
  196    HB2  CYS  34           2HB      CYS  34  -7.486  -1.345  -1.715
  197    HB3  CYS  34           1HB      CYS  34  -6.195  -0.298  -2.291
  198    H    PHE  35           H        PHE  35  -6.055  -4.546  -2.389
  199    HA   PHE  35           HA       PHE  35  -3.987  -3.924  -0.478
  200    HD1  PHE  35           HD2      PHE  35  -4.577  -4.744   1.955
  201    HD2  PHE  35           HD1      PHE  35  -3.361  -8.086  -0.383
  202    HE1  PHE  35           HE2      PHE  35  -3.212  -5.558   3.833
  203    HE2  PHE  35           HE1      PHE  35  -1.998  -8.908   1.492
  204    HZ   PHE  35           HZ       PHE  35  -1.921  -7.641   3.604
  205    HB2  PHE  35           2HB      PHE  35  -5.871  -5.581  -0.086
  206    HB3  PHE  35           1HB      PHE  35  -5.031  -6.668  -1.186
  207    H    HIS  36           H        HIS  36  -2.824  -3.177  -2.576
  208    HA   HIS  36           HA       HIS  36  -0.884  -5.300  -3.188
  209    HD1  HIS  36           HD1      HIS  36  -2.676  -6.431  -4.022
  210    HD2  HIS  36           HD2      HIS  36  -2.910  -4.027  -7.391
  211    HE1  HIS  36           HE1      HIS  36  -4.379  -7.524  -5.515
  212    HE2  HIS  36           HE2      HIS  36  -4.669  -5.923  -7.442
  213    HB2  HIS  36           2HB      HIS  36  -1.691  -3.022  -5.012
  214    HB3  HIS  36           1HB      HIS  36  -0.454  -4.225  -5.352
  215    H    CYS  37           H        CYS  37   1.264  -4.014  -4.020
  216    HA   CYS  37           HA       CYS  37   2.232  -2.862  -1.704
  217    HB2  CYS  37           2HB      CYS  37   3.716  -3.751  -3.460
  218    HB3  CYS  37           1HB      CYS  37   3.352  -2.341  -4.453
  219    H    MET  38           H        MET  38   1.967  -1.129  -0.790
  220    HA   MET  38           HA       MET  38   0.459   1.036  -1.799
  221    HB2  MET  38           2HB      MET  38   0.354   0.177   0.493
  222    HB3  MET  38           1HB      MET  38   2.033   0.609   0.746
  223    HG2  MET  38           2HG      MET  38   0.386   2.107   1.777
  224    HG3  MET  38           1HG      MET  38   1.531   2.891   0.707
  225    HE1  MET  38           3HE      MET  38  -2.764   1.865  -0.631
  226    HE2  MET  38           1HE      MET  38  -2.105   1.381   0.931
  227    HE3  MET  38           2HE      MET  38  -1.437   0.705  -0.553
  228    H    ALA  39           H        ALA  39   3.562   0.183  -2.404
  229    HA   ALA  39           HA       ALA  39   4.452   2.981  -2.630
  230    HB1  ALA  39           3HB      ALA  39   6.175   0.526  -2.362
  231    HB2  ALA  39           1HB      ALA  39   5.845   1.703  -1.092
  232    HB3  ALA  39           2HB      ALA  39   6.747   2.186  -2.529
  233    H    CYS  40           H        CYS  40   4.996  -0.216  -4.229
  234    HA   CYS  40           HA       CYS  40   5.375   1.316  -6.698
  235    HB2  CYS  40           2HB      CYS  40   6.485  -0.663  -7.644
  236    HB3  CYS  40           1HB      CYS  40   7.280  -0.106  -6.183
  237    H    ARG  41           H        ARG  41   4.495  -2.057  -6.611
  238    HA   ARG  41           HA       ARG  41   1.708  -1.747  -6.886
  239    HE   ARG  41           HE       ARG  41   0.423  -3.684  -9.311
  240    HB2  ARG  41           2HB      ARG  41   3.206  -1.274  -9.292
  241    HB3  ARG  41           1HB      ARG  41   2.278  -2.752  -9.483
  242    HG2  ARG  41           2HG      ARG  41   1.163  -0.065  -8.707
  243    HG3  ARG  41           1HG      ARG  41   1.061  -0.807 -10.304
  244    HD2  ARG  41           2HD      ARG  41  -0.152  -1.855  -7.751
  245    HD3  ARG  41           1HD      ARG  41  -1.019  -1.113  -9.094
  246   HH11  ARG  41          1HH1      ARG  41  -2.303  -1.601 -10.070
  247   HH12  ARG  41          2HH1      ARG  41  -3.109  -2.806 -11.040
  248   HH21  ARG  41          1HH2      ARG  41  -0.653  -5.274 -10.561
  249   HH22  ARG  41          2HH2      ARG  41  -2.185  -4.894 -11.286
  250    H    LYS  42           H        LYS  42   4.254  -3.524  -6.171
  251    HA   LYS  42           HA       LYS  42   3.937  -6.071  -7.184
  252    HB2  LYS  42           2HB      LYS  42   5.784  -5.439  -5.730
  253    HB3  LYS  42           1HB      LYS  42   4.684  -5.214  -4.380
  254    HG2  LYS  42           2HG      LYS  42   5.799  -7.280  -4.055
  255    HG3  LYS  42           1HG      LYS  42   4.143  -7.655  -4.527
  256    HD2  LYS  42           2HD      LYS  42   4.905  -8.030  -6.831
  257    HD3  LYS  42           1HD      LYS  42   6.563  -7.701  -6.321
  258    HE2  LYS  42           2HE      LYS  42   6.259 -10.075  -6.391
  259    HE3  LYS  42           1HE      LYS  42   6.369  -9.575  -4.705
  260    HZ1  LYS  42           3HZ      LYS  42   3.945  -9.670  -4.569
  261    HZ2  LYS  42           1HZ      LYS  42   4.604 -11.171  -4.998
  262    HZ3  LYS  42           2HZ      LYS  42   3.867 -10.196  -6.178
  263    H    ALA  43           H        ALA  43   2.577  -7.778  -6.783
  264    HA   ALA  43           HA       ALA  43   0.099  -7.224  -5.415
  265    HB1  ALA  43           3HB      ALA  43   1.133  -9.780  -6.657
  266    HB2  ALA  43           1HB      ALA  43   0.106  -8.581  -7.444
  267    HB3  ALA  43           2HB      ALA  43  -0.510  -9.509  -6.076
  268    H    LEU  44           H        LEU  44   0.128  -7.212  -3.237
  269    HA   LEU  44           HA       LEU  44   1.849  -9.071  -1.791
  270    HG   LEU  44           HG       LEU  44   2.372  -6.013   0.205
  271    HB2  LEU  44           2HB      LEU  44   0.259  -6.658  -0.973
  272    HB3  LEU  44           1HB      LEU  44   0.810  -7.803   0.231
  273   HD11  LEU  44          1HD1      LEU  44   3.368  -8.233   0.383
  274   HD12  LEU  44          2HD1      LEU  44   4.447  -7.124  -0.464
  275   HD13  LEU  44          3HD1      LEU  44   3.522  -8.319  -1.371
  276   HD21  LEU  44          3HD2      LEU  44   1.815  -5.042  -1.939
  277   HD22  LEU  44          1HD2      LEU  44   2.549  -6.410  -2.777
  278   HD23  LEU  44          2HD2      LEU  44   3.554  -5.317  -1.824
  279    H    ASP  45           H        ASP  45   1.131 -10.744  -0.618
  280    HA   ASP  45           HA       ASP  45  -1.782 -11.152  -0.499
  281    HB2  ASP  45           2HB      ASP  45  -1.439 -13.536  -0.557
  282    HB3  ASP  45           1HB      ASP  45  -0.567 -12.830  -1.913
  283    H    SER  46           H        SER  46  -1.781 -13.243   1.327
  284    HA   SER  46           HA       SER  46  -2.015 -11.839   3.697
  285    HG   SER  46           HG       SER  46  -4.136 -14.210   3.558
  286    HB2  SER  46           2HB      SER  46  -1.572 -14.816   3.449
  287    HB3  SER  46           1HB      SER  46  -2.428 -13.966   4.737
  288    H    THR  47           H        THR  47   0.777 -13.685   2.511
  289    HA   THR  47           HA       THR  47   2.023 -13.358   5.149
  290    HB   THR  47           HB       THR  47   1.918 -15.653   4.253
  291    HG1  THR  47           HG1      THR  47   3.610 -15.247   5.652
  292   HG21  THR  47          3HG2      THR  47   2.136 -15.166   1.864
  293   HG22  THR  47          1HG2      THR  47   3.372 -16.308   2.392
  294   HG23  THR  47          2HG2      THR  47   3.792 -14.616   2.124
  295    H    THR  48           H        THR  48   2.261 -12.129   1.927
  296    HA   THR  48           HA       THR  48   5.116 -11.684   2.143
  297    HB   THR  48           HB       THR  48   4.778 -10.639  -0.174
  298    HG1  THR  48           HG1      THR  48   2.535 -12.160  -0.576
  299   HG21  THR  48          3HG2      THR  48   5.767 -12.843   0.197
  300   HG22  THR  48          1HG2      THR  48   4.724 -12.855  -1.227
  301   HG23  THR  48          2HG2      THR  48   4.157 -13.559   0.288
  302    H    VAL  49           H        VAL  49   2.217  -9.780   2.538
  303    HA   VAL  49           HA       VAL  49   3.350  -7.264   1.951
  304    HB   VAL  49           HB       VAL  49   1.029  -7.215   2.018
  305   HG11  VAL  49          1HG1      VAL  49  -0.325  -7.960   3.942
  306   HG12  VAL  49          2HG1      VAL  49   1.149  -8.451   4.777
  307   HG13  VAL  49          3HG1      VAL  49   0.660  -9.271   3.293
  308   HG21  VAL  49          3HG2      VAL  49   1.949  -5.227   3.050
  309   HG22  VAL  49          1HG2      VAL  49   1.929  -6.012   4.629
  310   HG23  VAL  49          2HG2      VAL  49   0.413  -5.647   3.806
  311    H    ALA  50           H        ALA  50   4.579  -5.903   3.029
  312    HA   ALA  50           HA       ALA  50   5.400  -6.667   5.724
  313    HB1  ALA  50           3HB      ALA  50   7.203  -6.513   4.069
  314    HB2  ALA  50           1HB      ALA  50   7.393  -5.315   5.349
  315    HB3  ALA  50           2HB      ALA  50   6.771  -4.828   3.772
  316    H    ALA  51           H        ALA  51   4.235  -5.704   7.214
  317    HA   ALA  51           HA       ALA  51   3.531  -2.881   6.787
  318    HB1  ALA  51           3HB      ALA  51   2.254  -4.878   8.648
  319    HB2  ALA  51           1HB      ALA  51   1.617  -4.369   7.085
  320    HB3  ALA  51           2HB      ALA  51   1.744  -3.206   8.407
  321    H    HIS  52           H        HIS  52   4.904  -1.568   7.721
  322    HA   HIS  52           HA       HIS  52   5.864  -2.170  10.421
  323    HD1  HIS  52           HD1      HIS  52   8.443  -1.368  11.484
  324    HD2  HIS  52           HD2      HIS  52   6.811   2.242  10.217
  325    HE1  HIS  52           HE1      HIS  52   9.138   0.335  13.199
  326    HE2  HIS  52           HE2      HIS  52   7.880   2.422  12.558
  327    HB2  HIS  52           2HB      HIS  52   7.577  -1.276   8.927
  328    HB3  HIS  52           1HB      HIS  52   6.558   0.105   8.534
  329    H    GLU  53           H        GLU  53   4.041  -1.984  11.594
  330    HA   GLU  53           HA       GLU  53   2.310  -1.057  12.699
  331    HB2  GLU  53           2HB      GLU  53   3.703   1.556  12.081
  332    HB3  GLU  53           1HB      GLU  53   2.504   1.286  13.344
  333    HG2  GLU  53           2HG      GLU  53   3.990  -0.232  14.485
  334    HG3  GLU  53           1HG      GLU  53   5.178  -0.084  13.194
  335    H    SER  54           H        SER  54   2.322   1.955  10.984
  336    HA   SER  54           HA       SER  54  -0.274   1.187   9.865
  337    HG   SER  54           HG       SER  54   0.637   3.582  12.156
  338    HB2  SER  54           2HB      SER  54   0.926   3.953  10.095
  339    HB3  SER  54           1HB      SER  54  -0.759   3.546   9.765
  340    H    GLU  55           H        GLU  55   2.669   0.895   8.712
  341    HA   GLU  55           HA       GLU  55   1.960   1.935   6.045
  342    HB2  GLU  55           2HB      GLU  55   4.656   1.835   7.382
  343    HB3  GLU  55           1HB      GLU  55   4.465   2.066   5.651
  344    HG2  GLU  55           2HG      GLU  55   3.102   4.078   6.122
  345    HG3  GLU  55           1HG      GLU  55   3.451   3.865   7.837
  346    H    ILE  56           H        ILE  56   1.479   0.352   4.726
  347    HA   ILE  56           HA       ILE  56   2.862  -2.236   4.965
  348    HB   ILE  56           HB       ILE  56   0.854  -3.159   4.688
  349   HG12  ILE  56          2HG1      ILE  56   0.620  -1.662   2.071
  350   HG13  ILE  56          1HG1      ILE  56   1.567  -3.132   2.296
  351   HG21  ILE  56          1HG2      ILE  56  -0.143  -1.170   5.661
  352   HG22  ILE  56          2HG2      ILE  56  -1.199  -1.845   4.422
  353   HG23  ILE  56          3HG2      ILE  56  -0.229  -0.414   4.070
  354   HD11  ILE  56          3HD1      ILE  56  -0.570  -3.639   1.276
  355   HD12  ILE  56          1HD1      ILE  56  -1.421  -2.848   2.601
  356   HD13  ILE  56          2HD1      ILE  56  -0.508  -4.327   2.898
  357    H    TYR  57           H        TYR  57   4.157  -2.971   3.353
  358    HA   TYR  57           HA       TYR  57   3.898  -1.895   0.667
  359    HD1  TYR  57           HD2      TYR  57   4.941   0.715  -0.057
  360    HD2  TYR  57           HD1      TYR  57   6.135  -0.267   3.900
  361    HE1  TYR  57           HE2      TYR  57   4.438   3.009   0.654
  362    HE2  TYR  57           HE1      TYR  57   5.639   2.025   4.626
  363    HH   TYR  57           HH       TYR  57   5.237   4.169   3.868
  364    HB2  TYR  57           2HB      TYR  57   6.562  -1.773   2.120
  365    HB3  TYR  57           1HB      TYR  57   6.276  -1.318   0.445
  366    H    CYS  58           H        CYS  58   5.528  -3.060  -0.830
  367    HA   CYS  58           HA       CYS  58   5.515  -5.870  -0.218
  368    HB2  CYS  58           2HB      CYS  58   6.348  -6.229  -2.403
  369    HB3  CYS  58           1HB      CYS  58   5.260  -4.860  -2.554
  370    H    LYS  59           H        LYS  59   7.563  -7.157  -0.350
  371    HA   LYS  59           HA       LYS  59   9.367  -6.150   1.603
  372    HB2  LYS  59           2HB      LYS  59   9.464  -8.640  -0.099
  373    HB3  LYS  59           1HB      LYS  59  10.597  -8.291   1.201
  374    HG2  LYS  59           2HG      LYS  59   8.768  -8.254   2.803
  375    HG3  LYS  59           1HG      LYS  59   7.618  -8.578   1.507
  376    HD2  LYS  59           2HD      LYS  59   8.717 -10.724   1.079
  377    HD3  LYS  59           1HD      LYS  59   9.859 -10.397   2.384
  378    HE2  LYS  59           2HE      LYS  59   6.866 -10.590   2.702
  379    HE3  LYS  59           1HE      LYS  59   8.008 -11.884   3.073
  380    HZ1  LYS  59           3HZ      LYS  59   8.816 -10.776   4.901
  381    HZ2  LYS  59           1HZ      LYS  59   7.186 -10.314   4.947
  382    HZ3  LYS  59           2HZ      LYS  59   8.354  -9.243   4.343
  383    H    VAL  60           H        VAL  60   9.199  -5.750  -1.728
  384    HA   VAL  60           HA       VAL  60  12.025  -5.436  -2.188
  385    HB   VAL  60           HB       VAL  60   9.712  -4.489  -3.888
  386   HG11  VAL  60          1HG1      VAL  60  11.347  -4.407  -5.699
  387   HG12  VAL  60          2HG1      VAL  60  12.621  -4.879  -4.575
  388   HG13  VAL  60          3HG1      VAL  60  11.802  -3.329  -4.379
  389   HG21  VAL  60          3HG2      VAL  60  11.332  -7.022  -4.109
  390   HG22  VAL  60          1HG2      VAL  60  10.075  -6.498  -5.226
  391   HG23  VAL  60          2HG2      VAL  60   9.660  -6.916  -3.561
  392    H    CYS  61           H        CYS  61   9.219  -3.264  -1.836
  393    HA   CYS  61           HA       CYS  61  10.831  -0.906  -1.825
  394    HB2  CYS  61           2HB      CYS  61   7.974  -1.339  -0.950
  395    HB3  CYS  61           1HB      CYS  61   8.760   0.235  -1.033
  396    H    TYR  62           H        TYR  62   9.619  -3.071   0.661
  397    HA   TYR  62           HA       TYR  62  10.231  -1.465   2.888
  398    HD1  TYR  62           HD2      TYR  62   8.199  -2.426   4.823
  399    HD2  TYR  62           HD1      TYR  62  11.901  -4.524   4.788
  400    HE1  TYR  62           HE2      TYR  62   8.296  -2.285   7.274
  401    HE2  TYR  62           HE1      TYR  62  12.008  -4.393   7.242
  402    HH   TYR  62           HH       TYR  62  11.070  -2.905   9.047
  403    HB2  TYR  62           2HB      TYR  62   8.940  -3.672   2.846
  404    HB3  TYR  62           1HB      TYR  62  10.510  -4.469   2.827
  405    H    GLY  63           H        GLY  63  12.185  -3.871   1.132
  406    HA2  GLY  63           2HA      GLY  63  14.573  -3.236   2.621
  407    HA3  GLY  63           1HA      GLY  63  14.472  -4.268   1.200
  408    H    ARG  64           H        ARG  64  12.926  -1.739   0.132
  409    HA   ARG  64           HA       ARG  64  15.191  -0.522  -1.168
  410    HE   ARG  64           HE       ARG  64  12.829   3.115  -4.402
  411    HB2  ARG  64           2HB      ARG  64  13.219  -0.885  -2.470
  412    HB3  ARG  64           1HB      ARG  64  12.204  -0.101  -1.275
  413    HG2  ARG  64           2HG      ARG  64  13.243   2.053  -1.838
  414    HG3  ARG  64           1HG      ARG  64  14.210   1.241  -3.078
  415    HD2  ARG  64           2HD      ARG  64  12.268   0.620  -4.301
  416    HD3  ARG  64           1HD      ARG  64  11.203   1.104  -2.987
  417   HH11  ARG  64          1HH1      ARG  64   9.704   1.820  -3.447
  418   HH12  ARG  64          2HH1      ARG  64   8.826   3.223  -3.980
  419   HH21  ARG  64          1HH2      ARG  64  11.658   4.941  -5.131
  420   HH22  ARG  64          2HH2      ARG  64   9.927   4.982  -4.939
  421    H    ARG  65           H        ARG  65  12.733   0.377   1.203
  422    HA   ARG  65           HA       ARG  65  13.887   2.977   1.679
  423    HE   ARG  65           HE       ARG  65  10.978   4.083   4.111
  424    HB2  ARG  65           2HB      ARG  65  11.675   1.415   3.002
  425    HB3  ARG  65           1HB      ARG  65  12.239   2.953   3.636
  426    HG2  ARG  65           2HG      ARG  65  11.661   4.020   1.493
  427    HG3  ARG  65           1HG      ARG  65  11.027   2.474   0.925
  428    HD2  ARG  65           2HD      ARG  65   9.310   4.072   1.833
  429    HD3  ARG  65           1HD      ARG  65   9.317   2.473   2.577
  430   HH11  ARG  65          1HH1      ARG  65   7.604   4.126   3.186
  431   HH12  ARG  65          2HH1      ARG  65   7.055   4.746   4.717
  432   HH21  ARG  65          1HH2      ARG  65  10.295   4.934   6.082
  433   HH22  ARG  65          2HH2      ARG  65   8.603   5.247   6.366
  434    H    TYR  66           H        TYR  66  13.526  -0.000   3.614
  435    HA   TYR  66           HA       TYR  66  15.403   1.097   5.573
  436    HD1  TYR  66           HD1      TYR  66  14.231   1.167   8.298
  437    HD2  TYR  66           HD2      TYR  66  11.538  -0.129   5.272
  438    HE1  TYR  66           HE1      TYR  66  12.492   2.640   9.223
  439    HE2  TYR  66           HE2      TYR  66   9.790   1.334   6.188
  440    HH   TYR  66           HH       TYR  66   9.217   2.416   8.308
  441    HB2  TYR  66           2HB      TYR  66  13.581  -1.317   5.663
  442    HB3  TYR  66           1HB      TYR  66  14.675  -0.853   6.962
  Start of MODEL   11
    1    H1   GLY   7           1H       GLY   7 -19.511   5.187   7.359
    2    HA2  GLY   7           2HA      GLY   7 -19.699   2.633   6.874
    3    HA3  GLY   7           1HA      GLY   7 -19.321   3.166   5.238
    4    H    ALA   8           H        ALA   8 -17.338   1.956   5.293
    5    HA   ALA   8           HA       ALA   8 -15.291   3.184   7.013
    6    HB1  ALA   8           3HB      ALA   8 -15.392   0.741   7.098
    7    HB2  ALA   8           1HB      ALA   8 -13.875   1.286   6.380
    8    HB3  ALA   8           2HB      ALA   8 -15.166   0.666   5.350
    9    H    LYS   9           H        LYS   9 -13.139   3.541   5.870
   10    HA   LYS   9           HA       LYS   9 -13.557   4.240   3.052
   11    HB2  LYS   9           2HB      LYS   9 -12.392   6.347   3.312
   12    HB3  LYS   9           1HB      LYS   9 -13.769   6.299   4.399
   13    HG2  LYS   9           2HG      LYS   9 -12.212   7.183   5.788
   14    HG3  LYS   9           1HG      LYS   9 -11.935   5.472   6.111
   15    HD2  LYS   9           2HD      LYS   9  -9.819   6.648   5.776
   16    HD3  LYS   9           1HD      LYS   9 -10.091   5.464   4.496
   17    HE2  LYS   9           2HE      LYS   9 -10.952   7.311   3.058
   18    HE3  LYS   9           1HE      LYS   9 -10.505   8.452   4.323
   19    HZ1  LYS   9           3HZ      LYS   9  -8.673   6.696   2.779
   20    HZ2  LYS   9           1HZ      LYS   9  -8.193   7.639   4.108
   21    HZ3  LYS   9           2HZ      LYS   9  -8.770   8.390   2.701
   22    H    CYS  10           H        CYS  10 -11.827   3.941   1.734
   23    HA   CYS  10           HA       CYS  10  -9.948   1.978   2.524
   24    HB2  CYS  10           2HB      CYS  10 -10.830   2.327   0.225
   25    HB3  CYS  10           1HB      CYS  10  -9.887   3.805   0.123
   26    H    GLY  11           H        GLY  11  -8.004   2.174   3.432
   27    HA2  GLY  11           2HA      GLY  11  -6.882   4.674   4.166
   28    HA3  GLY  11           1HA      GLY  11  -6.083   3.111   4.266
   29    H    ALA  12           H        ALA  12  -6.814   2.931   1.235
   30    HA   ALA  12           HA       ALA  12  -4.379   4.301   0.338
   31    HB1  ALA  12           3HB      ALA  12  -5.986   2.133  -1.017
   32    HB2  ALA  12           1HB      ALA  12  -4.493   1.898  -0.105
   33    HB3  ALA  12           2HB      ALA  12  -4.474   2.821  -1.607
   34    H    CYS  13           H        CYS  13  -7.812   3.899  -0.452
   35    HA   CYS  13           HA       CYS  13  -7.646   6.031  -2.451
   36    HB2  CYS  13           2HB      CYS  13 -10.014   4.357  -1.580
   37    HB3  CYS  13           1HB      CYS  13  -9.981   5.468  -2.939
   38    H    GLU  14           H        GLU  14  -9.674   7.528  -2.395
   39    HA   GLU  14           HA       GLU  14 -10.414   8.232   0.368
   40    HB2  GLU  14           2HB      GLU  14 -10.916   9.691  -2.241
   41    HB3  GLU  14           1HB      GLU  14 -11.489  10.225  -0.669
   42    HG2  GLU  14           2HG      GLU  14  -9.216  10.503   0.105
   43    HG3  GLU  14           1HG      GLU  14  -8.601   9.889  -1.428
   44    H    LYS  15           H        LYS  15 -11.166   6.154  -1.886
   45    HA   LYS  15           HA       LYS  15 -13.999   6.421  -2.185
   46    HB2  LYS  15           2HB      LYS  15 -12.306   3.959  -2.637
   47    HB3  LYS  15           1HB      LYS  15 -13.876   4.314  -3.343
   48    HG2  LYS  15           2HG      LYS  15 -12.925   6.087  -4.672
   49    HG3  LYS  15           1HG      LYS  15 -11.357   5.868  -3.892
   50    HD2  LYS  15           2HD      LYS  15 -11.409   3.488  -4.752
   51    HD3  LYS  15           1HD      LYS  15 -12.796   3.967  -5.731
   52    HE2  LYS  15           2HE      LYS  15 -10.778   4.086  -7.055
   53    HE3  LYS  15           1HE      LYS  15 -11.404   5.713  -6.787
   54    HZ1  LYS  15           3HZ      LYS  15  -9.293   4.525  -5.077
   55    HZ2  LYS  15           1HZ      LYS  15  -9.739   6.156  -5.207
   56    HZ3  LYS  15           2HZ      LYS  15  -8.932   5.393  -6.492
   57    H    THR  16           H        THR  16 -15.555   5.000  -1.329
   58    HA   THR  16           HA       THR  16 -15.197   4.469   1.437
   59    HB   THR  16           HB       THR  16 -17.519   3.195   0.409
   60    HG1  THR  16           HG1      THR  16 -18.324   4.626  -0.990
   61   HG21  THR  16          3HG2      THR  16 -18.684   4.960   1.681
   62   HG22  THR  16          1HG2      THR  16 -17.157   5.819   1.859
   63   HG23  THR  16          2HG2      THR  16 -17.370   4.238   2.608
   64    H    VAL  17           H        VAL  17 -15.142   2.549   2.507
   65    HA   VAL  17           HA       VAL  17 -14.737   0.143   0.868
   66    HB   VAL  17           HB       VAL  17 -13.458   1.042   3.416
   67   HG11  VAL  17          1HG1      VAL  17 -13.609  -1.854   2.561
   68   HG12  VAL  17          2HG1      VAL  17 -14.463  -1.165   3.942
   69   HG13  VAL  17          3HG1      VAL  17 -12.700  -1.206   3.928
   70   HG21  VAL  17          3HG2      VAL  17 -12.287   1.385   1.349
   71   HG22  VAL  17          1HG2      VAL  17 -12.485  -0.317   0.920
   72   HG23  VAL  17          2HG2      VAL  17 -11.466   0.137   2.289
   73    H    TYR  18           H        TYR  18 -16.049  -1.486   1.108
   74    HA   TYR  18           HA       TYR  18 -17.951  -1.504   3.358
   75    HD1  TYR  18           HD1      TYR  18 -20.277  -0.080   2.433
   76    HD2  TYR  18           HD2      TYR  18 -17.959  -1.067  -0.990
   77    HE1  TYR  18           HE1      TYR  18 -20.868   2.080   1.423
   78    HE2  TYR  18           HE2      TYR  18 -18.531   1.097  -2.009
   79    HH   TYR  18           HH       TYR  18 -19.890   3.638  -0.276
   80    HB2  TYR  18           2HB      TYR  18 -18.426  -2.725   0.628
   81    HB3  TYR  18           1HB      TYR  18 -19.607  -2.441   1.901
   82    H    HIS  19           H        HIS  19 -18.774  -3.922   3.668
   83    HA   HIS  19           HA       HIS  19 -16.432  -5.372   4.366
   84    HD1  HIS  19           HD1      HIS  19 -18.850  -8.763   3.759
   85    HD2  HIS  19           HD2      HIS  19 -21.141  -5.327   4.232
   86    HE1  HIS  19           HE1      HIS  19 -21.130  -9.347   2.881
   87    HE2  HIS  19           HE2      HIS  19 -22.442  -7.196   2.997
   88    HB2  HIS  19           2HB      HIS  19 -17.822  -6.991   5.357
   89    HB3  HIS  19           1HB      HIS  19 -18.686  -5.475   5.553
   90    H    ALA  20           H        ALA  20 -18.195  -5.176   1.509
   91    HA   ALA  20           HA       ALA  20 -17.747  -7.689   0.327
   92    HB1  ALA  20           3HB      ALA  20 -19.296  -5.970  -0.547
   93    HB2  ALA  20           1HB      ALA  20 -18.173  -6.555  -1.776
   94    HB3  ALA  20           2HB      ALA  20 -17.902  -4.987  -1.011
   95    H    GLU  21           H        GLU  21 -15.761  -4.812   0.588
   96    HA   GLU  21           HA       GLU  21 -13.643  -6.111  -0.989
   97    HB2  GLU  21           2HB      GLU  21 -14.981  -4.469  -2.328
   98    HB3  GLU  21           1HB      GLU  21 -14.536  -3.220  -1.181
   99    HG2  GLU  21           2HG      GLU  21 -13.186  -2.982  -3.114
  100    HG3  GLU  21           1HG      GLU  21 -12.162  -3.563  -1.806
  101    H    GLU  22           H        GLU  22 -13.789  -6.103   1.804
  102    HA   GLU  22           HA       GLU  22 -12.001  -3.920   2.626
  103    HB2  GLU  22           2HB      GLU  22 -14.153  -3.934   3.784
  104    HB3  GLU  22           1HB      GLU  22 -13.875  -5.591   4.305
  105    HG2  GLU  22           2HG      GLU  22 -11.890  -4.820   5.555
  106    HG3  GLU  22           1HG      GLU  22 -12.289  -3.161   5.111
  107    H    ILE  23           H        ILE  23  -9.991  -4.403   3.062
  108    HA   ILE  23           HA       ILE  23  -9.457  -6.893   4.547
  109    HB   ILE  23           HB       ILE  23  -7.818  -5.645   2.351
  110   HG12  ILE  23          2HG1      ILE  23  -8.239  -8.546   3.058
  111   HG13  ILE  23          1HG1      ILE  23  -9.353  -7.655   2.020
  112   HG21  ILE  23          1HG2      ILE  23  -6.746  -7.375   4.575
  113   HG22  ILE  23          2HG2      ILE  23  -6.337  -5.686   4.270
  114   HG23  ILE  23          3HG2      ILE  23  -5.868  -6.930   3.111
  115   HD11  ILE  23          3HD1      ILE  23  -6.431  -8.163   1.499
  116   HD12  ILE  23          1HD1      ILE  23  -7.509  -7.240   0.457
  117   HD13  ILE  23          2HD1      ILE  23  -7.792  -8.962   0.711
  118    H    GLN  24           H        GLN  24  -8.489  -6.583   6.481
  119    HA   GLN  24           HA       GLN  24  -7.635  -3.828   7.086
  120    HB2  GLN  24           2HB      GLN  24  -9.059  -5.821   8.849
  121    HB3  GLN  24           1HB      GLN  24  -8.312  -4.350   9.461
  122    HG2  GLN  24           2HG      GLN  24  -9.766  -3.016   8.033
  123    HG3  GLN  24           1HG      GLN  24 -10.515  -4.486   7.415
  124   HE21  GLN  24          1HE2      GLN  24 -10.498  -5.821   9.997
  125   HE22  GLN  24          2HE2      GLN  24 -11.744  -5.069  10.929
  126    H    CYS  25           H        CYS  25  -5.503  -3.874   7.004
  127    HA   CYS  25           HA       CYS  25  -4.065  -6.150   8.141
  128    HG   CYS  25           HG       CYS  25  -1.488  -6.522   7.881
  129    HB2  CYS  25           2HB      CYS  25  -3.456  -5.328   5.859
  130    HB3  CYS  25           1HB      CYS  25  -2.977  -3.797   6.577
  131    H    ASN  26           H        ASN  26  -3.306  -6.041  10.107
  132    HA   ASN  26           HA       ASN  26  -2.570  -5.319  12.115
  133    HB2  ASN  26           2HB      ASN  26  -0.879  -4.029  10.904
  134    HB3  ASN  26           1HB      ASN  26  -2.021  -2.709  10.685
  135   HD21  ASN  26          1HD2      ASN  26  -0.664  -1.267  11.715
  136   HD22  ASN  26          2HD2      ASN  26  -0.422  -1.277  13.428
  137    H    GLY  27           H        GLY  27  -4.093  -2.365  10.812
  138    HA2  GLY  27           2HA      GLY  27  -6.465  -2.720  12.371
  139    HA3  GLY  27           1HA      GLY  27  -5.378  -1.554  13.113
  140    H    ARG  28           H        ARG  28  -5.489  -1.923   9.663
  141    HA   ARG  28           HA       ARG  28  -7.005   0.586   9.433
  142    HE   ARG  28           HE       ARG  28  -5.186   4.292   6.717
  143    HB2  ARG  28           2HB      ARG  28  -4.477   0.889   9.328
  144    HB3  ARG  28           1HB      ARG  28  -4.516  -0.038   7.838
  145    HG2  ARG  28           2HG      ARG  28  -5.884   1.640   6.777
  146    HG3  ARG  28           1HG      ARG  28  -5.988   2.549   8.291
  147    HD2  ARG  28           2HD      ARG  28  -3.556   2.853   8.265
  148    HD3  ARG  28           1HD      ARG  28  -3.461   1.959   6.748
  149   HH11  ARG  28          1HH1      ARG  28  -1.947   3.057   6.167
  150   HH12  ARG  28          2HH1      ARG  28  -1.516   4.327   5.051
  151   HH21  ARG  28          1HH2      ARG  28  -4.598   5.976   5.287
  152   HH22  ARG  28          2HH2      ARG  28  -3.023   5.974   4.559
  153    H    SER  29           H        SER  29  -8.406   0.660   7.714
  154    HA   SER  29           HA       SER  29  -8.855  -1.894   6.370
  155    HG   SER  29           HG       SER  29 -11.095  -1.660   7.965
  156    HB2  SER  29           2HB      SER  29 -10.596   0.581   6.345
  157    HB3  SER  29           1HB      SER  29 -11.063  -1.055   5.882
  158    H    PHE  30           H        PHE  30  -8.532  -2.239   4.273
  159    HA   PHE  30           HA       PHE  30  -8.320   0.055   2.439
  160    HD1  PHE  30           HD2      PHE  30  -5.658   1.096   2.096
  161    HD2  PHE  30           HD1      PHE  30  -5.450  -2.518   4.332
  162    HE1  PHE  30           HE2      PHE  30  -3.943   2.101   3.547
  163    HE2  PHE  30           HE1      PHE  30  -3.739  -1.520   5.793
  164    HZ   PHE  30           HZ       PHE  30  -2.931   0.750   5.368
  165    HB2  PHE  30           2HB      PHE  30  -6.624  -2.455   2.289
  166    HB3  PHE  30           1HB      PHE  30  -6.534  -1.063   1.217
  167    H    HIS  31           H        HIS  31  -8.653  -0.738   0.112
  168    HA   HIS  31           HA       HIS  31 -10.829  -2.608  -0.057
  169    HD2  HIS  31           HD2      HIS  31 -12.853  -1.449  -0.852
  170    HE1  HIS  31           HE1      HIS  31 -12.074   2.415  -2.377
  171    HE2  HIS  31           HE2      HIS  31 -13.730   0.981  -1.123
  172    HB2  HIS  31           2HB      HIS  31  -9.147  -1.250  -2.182
  173    HB3  HIS  31           1HB      HIS  31 -10.393  -2.425  -2.576
  174    H    LYS  32           H        LYS  32 -10.730  -4.690  -1.158
  175    HA   LYS  32           HA       LYS  32  -8.432  -6.216  -0.535
  176    HB2  LYS  32           2HB      LYS  32 -10.662  -7.234  -0.763
  177    HB3  LYS  32           1HB      LYS  32 -10.659  -6.861  -2.483
  178    HG2  LYS  32           2HG      LYS  32  -8.789  -8.356  -2.837
  179    HG3  LYS  32           1HG      LYS  32  -8.695  -8.683  -1.106
  180    HD2  LYS  32           2HD      LYS  32 -10.917  -9.679  -1.160
  181    HD3  LYS  32           1HD      LYS  32 -11.050  -9.313  -2.880
  182    HE2  LYS  32           2HE      LYS  32 -10.447 -11.646  -2.522
  183    HE3  LYS  32           1HE      LYS  32  -9.159 -10.777  -3.350
  184    HZ1  LYS  32           3HZ      LYS  32  -7.904 -10.669  -1.341
  185    HZ2  LYS  32           1HZ      LYS  32  -8.391 -12.276  -1.557
  186    HZ3  LYS  32           2HZ      LYS  32  -9.189 -11.299  -0.425
  187    H    THR  33           H        THR  33  -9.465  -4.455  -3.335
  188    HA   THR  33           HA       THR  33  -7.351  -5.367  -5.054
  189    HB   THR  33           HB       THR  33  -9.023  -2.870  -5.392
  190    HG1  THR  33           HG1      THR  33 -10.367  -4.734  -5.011
  191   HG21  THR  33          3HG2      THR  33  -8.677  -3.271  -7.774
  192   HG22  THR  33          1HG2      THR  33  -7.763  -4.734  -7.413
  193   HG23  THR  33          2HG2      THR  33  -7.122  -3.160  -6.948
  194    H    CYS  34           H        CYS  34  -7.459  -3.322  -2.416
  195    HA   CYS  34           HA       CYS  34  -5.122  -1.793  -3.340
  196    HB2  CYS  34           2HB      CYS  34  -7.099  -1.088  -1.152
  197    HB3  CYS  34           1HB      CYS  34  -5.724  -0.107  -1.652
  198    H    PHE  35           H        PHE  35  -5.353  -4.535  -2.141
  199    HA   PHE  35           HA       PHE  35  -4.015  -4.200   0.414
  200    HD1  PHE  35           HD2      PHE  35  -4.313  -5.492   2.411
  201    HD2  PHE  35           HD1      PHE  35  -3.489  -8.536  -0.444
  202    HE1  PHE  35           HE2      PHE  35  -3.140  -6.784   4.139
  203    HE2  PHE  35           HE1      PHE  35  -2.309  -9.835   1.280
  204    HZ   PHE  35           HZ       PHE  35  -2.139  -8.955   3.575
  205    HB2  PHE  35           2HB      PHE  35  -5.721  -5.962   0.182
  206    HB3  PHE  35           1HB      PHE  35  -4.754  -6.725  -1.076
  207    H    HIS  36           H        HIS  36  -3.203  -4.561  -2.847
  208    HA   HIS  36           HA       HIS  36  -0.655  -5.784  -2.236
  209    HD1  HIS  36           HD1      HIS  36  -3.883  -5.666  -5.157
  210    HD2  HIS  36           HD2      HIS  36  -0.547  -3.402  -6.161
  211    HE1  HIS  36           HE1      HIS  36  -4.615  -4.174  -7.040
  212    HE2  HIS  36           HE2      HIS  36  -2.510  -3.032  -7.810
  213    HB2  HIS  36           2HB      HIS  36  -0.211  -5.747  -4.659
  214    HB3  HIS  36           1HB      HIS  36  -1.688  -6.593  -4.245
  215    H    CYS  37           H        CYS  37   1.302  -4.693  -3.463
  216    HA   CYS  37           HA       CYS  37   2.063  -2.938  -1.537
  217    HB2  CYS  37           2HB      CYS  37   3.536  -4.213  -3.111
  218    HB3  CYS  37           1HB      CYS  37   3.256  -2.947  -4.300
  219    H    MET  38           H        MET  38   1.981  -0.895  -1.085
  220    HA   MET  38           HA       MET  38   0.289   0.879  -2.541
  221    HB2  MET  38           2HB      MET  38   2.145   1.492  -0.237
  222    HB3  MET  38           1HB      MET  38   0.798   2.476  -0.785
  223    HG2  MET  38           2HG      MET  38   0.583  -0.285   0.383
  224    HG3  MET  38           1HG      MET  38   0.270   1.222   1.239
  225    HE1  MET  38           3HE      MET  38  -2.118   0.144   1.936
  226    HE2  MET  38           1HE      MET  38  -1.711  -1.291   1.000
  227    HE3  MET  38           2HE      MET  38  -3.262  -0.488   0.751
  228    H    ALA  39           H        ALA  39   3.504   0.031  -2.938
  229    HA   ALA  39           HA       ALA  39   4.213   2.684  -3.989
  230    HB1  ALA  39           3HB      ALA  39   5.671   1.836  -2.209
  231    HB2  ALA  39           1HB      ALA  39   6.534   2.049  -3.732
  232    HB3  ALA  39           2HB      ALA  39   6.058   0.434  -3.207
  233    H    CYS  40           H        CYS  40   5.017  -0.731  -4.743
  234    HA   CYS  40           HA       CYS  40   5.334   0.099  -7.532
  235    HB2  CYS  40           2HB      CYS  40   6.588  -1.941  -7.854
  236    HB3  CYS  40           1HB      CYS  40   7.203  -1.104  -6.433
  237    H    ARG  41           H        ARG  41   3.082  -1.336  -5.548
  238    HA   ARG  41           HA       ARG  41   1.071  -2.277  -5.892
  239    HE   ARG  41           HE       ARG  41  -0.908   1.419  -6.111
  240    HB2  ARG  41           2HB      ARG  41   1.701  -1.555  -8.739
  241    HB3  ARG  41           1HB      ARG  41   0.225  -2.407  -8.311
  242    HG2  ARG  41           2HG      ARG  41   1.040   0.233  -7.126
  243    HG3  ARG  41           1HG      ARG  41  -0.032   0.058  -8.515
  244    HD2  ARG  41           2HD      ARG  41  -1.597  -1.227  -7.172
  245    HD3  ARG  41           1HD      ARG  41  -0.517  -1.127  -5.785
  246   HH11  ARG  41          1HH1      ARG  41  -3.301  -1.098  -6.634
  247   HH12  ARG  41          2HH1      ARG  41  -4.635  -0.107  -6.150
  248   HH21  ARG  41          1HH2      ARG  41  -2.662   2.718  -5.465
  249   HH22  ARG  41          2HH2      ARG  41  -4.271   2.072  -5.485
  250    H    LYS  42           H        LYS  42   3.713  -3.799  -6.101
  251    HA   LYS  42           HA       LYS  42   3.252  -6.212  -7.463
  252    HB2  LYS  42           2HB      LYS  42   5.405  -5.658  -6.428
  253    HB3  LYS  42           1HB      LYS  42   4.667  -5.687  -4.835
  254    HG2  LYS  42           2HG      LYS  42   4.223  -8.101  -5.120
  255    HG3  LYS  42           1HG      LYS  42   5.064  -8.041  -6.672
  256    HD2  LYS  42           2HD      LYS  42   7.106  -7.323  -5.563
  257    HD3  LYS  42           1HD      LYS  42   6.272  -7.285  -4.011
  258    HE2  LYS  42           2HE      LYS  42   7.602  -9.302  -4.204
  259    HE3  LYS  42           1HE      LYS  42   5.885  -9.702  -4.174
  260    HZ1  LYS  42           3HZ      LYS  42   7.264 -10.905  -5.865
  261    HZ2  LYS  42           1HZ      LYS  42   7.427  -9.434  -6.688
  262    HZ3  LYS  42           2HZ      LYS  42   5.890 -10.121  -6.476
  263    H    ALA  43           H        ALA  43   2.168  -8.117  -6.858
  264    HA   ALA  43           HA       ALA  43  -0.114  -7.702  -5.171
  265    HB1  ALA  43           3HB      ALA  43   0.809 -10.226  -6.538
  266    HB2  ALA  43           1HB      ALA  43  -0.263  -9.014  -7.235
  267    HB3  ALA  43           2HB      ALA  43  -0.781  -9.944  -5.831
  268    H    LEU  44           H        LEU  44  -0.009  -7.811  -3.035
  269    HA   LEU  44           HA       LEU  44   1.918  -9.591  -1.758
  270    HG   LEU  44           HG       LEU  44   2.426  -6.671   0.368
  271    HB2  LEU  44           2HB      LEU  44   0.297  -7.263  -0.810
  272    HB3  LEU  44           1HB      LEU  44   0.878  -8.436   0.353
  273   HD11  LEU  44          1HD1      LEU  44   4.489  -7.713  -0.425
  274   HD12  LEU  44          2HD1      LEU  44   3.549  -8.861  -1.378
  275   HD13  LEU  44          3HD1      LEU  44   3.444  -8.879   0.384
  276   HD21  LEU  44          3HD2      LEU  44   1.794  -5.569  -1.679
  277   HD22  LEU  44          1HD2      LEU  44   2.503  -6.868  -2.638
  278   HD23  LEU  44          2HD2      LEU  44   3.536  -5.835  -1.648
  279    H    ASP  45           H        ASP  45   1.379 -11.342  -0.618
  280    HA   ASP  45           HA       ASP  45  -1.467 -11.758   0.020
  281    HB2  ASP  45           2HB      ASP  45  -1.206 -14.105  -0.126
  282    HB3  ASP  45           1HB      ASP  45  -0.353 -13.485  -1.535
  283    H    SER  46           H        SER  46  -1.420 -13.459   2.059
  284    HA   SER  46           HA       SER  46  -0.677 -11.859   4.212
  285    HG   SER  46           HG       SER  46  -0.965 -15.721   4.229
  286    HB2  SER  46           2HB      SER  46  -1.043 -14.056   5.526
  287    HB3  SER  46           1HB      SER  46  -2.396 -13.392   4.611
  288    H    THR  47           H        THR  47   1.118 -14.345   2.536
  289    HA   THR  47           HA       THR  47   3.037 -14.719   4.652
  290    HB   THR  47           HB       THR  47   3.549 -15.582   1.831
  291    HG1  THR  47           HG1      THR  47   1.426 -16.191   2.024
  292   HG21  THR  47          3HG2      THR  47   5.186 -16.109   3.568
  293   HG22  THR  47          1HG2      THR  47   4.426 -17.578   2.963
  294   HG23  THR  47          2HG2      THR  47   3.935 -16.910   4.520
  295    H    THR  48           H        THR  48   2.769 -12.647   1.854
  296    HA   THR  48           HA       THR  48   5.667 -12.229   1.829
  297    HB   THR  48           HB       THR  48   5.111 -11.001  -0.366
  298    HG1  THR  48           HG1      THR  48   2.858 -12.667  -0.501
  299   HG21  THR  48          3HG2      THR  48   4.714 -13.984  -0.089
  300   HG22  THR  48          1HG2      THR  48   6.253 -13.145  -0.292
  301   HG23  THR  48          2HG2      THR  48   5.067 -13.142  -1.598
  302    H    VAL  49           H        VAL  49   2.717 -10.534   2.594
  303    HA   VAL  49           HA       VAL  49   3.614  -7.924   2.036
  304    HB   VAL  49           HB       VAL  49   1.306  -8.066   2.274
  305   HG11  VAL  49          1HG1      VAL  49   0.157  -8.951   4.256
  306   HG12  VAL  49          2HG1      VAL  49   1.715  -9.321   4.994
  307   HG13  VAL  49          3HG1      VAL  49   1.208 -10.169   3.533
  308   HG21  VAL  49          3HG2      VAL  49   2.325  -6.844   4.834
  309   HG22  VAL  49          1HG2      VAL  49   0.723  -6.587   4.142
  310   HG23  VAL  49          2HG2      VAL  49   2.155  -6.036   3.275
  311    H    ALA  50           H        ALA  50   4.918  -6.592   3.001
  312    HA   ALA  50           HA       ALA  50   5.794  -7.150   5.751
  313    HB1  ALA  50           3HB      ALA  50   7.588  -6.952   4.075
  314    HB2  ALA  50           1HB      ALA  50   7.674  -5.660   5.273
  315    HB3  ALA  50           2HB      ALA  50   7.020  -5.331   3.667
  316    H    ALA  51           H        ALA  51   4.527  -6.119   7.156
  317    HA   ALA  51           HA       ALA  51   3.432  -3.506   6.414
  318    HB1  ALA  51           3HB      ALA  51   1.768  -3.893   8.165
  319    HB2  ALA  51           1HB      ALA  51   2.541  -5.430   8.560
  320    HB3  ALA  51           2HB      ALA  51   1.779  -5.203   6.986
  321    H    HIS  52           H        HIS  52   3.610  -1.756   7.762
  322    HA   HIS  52           HA       HIS  52   5.120  -2.086  10.245
  323    HD1  HIS  52           HD1      HIS  52   8.234  -1.285  10.605
  324    HD2  HIS  52           HD2      HIS  52   5.789   2.054  10.231
  325    HE1  HIS  52           HE1      HIS  52   9.081   0.364  12.296
  326    HE2  HIS  52           HE2      HIS  52   7.467   2.291  12.179
  327    HB2  HIS  52           2HB      HIS  52   6.746  -1.341   8.522
  328    HB3  HIS  52           1HB      HIS  52   5.736   0.066   8.202
  329    H    GLU  53           H        GLU  53   3.226  -1.846  11.325
  330    HA   GLU  53           HA       GLU  53   1.579  -0.794  12.442
  331    HB2  GLU  53           2HB      GLU  53   3.532   0.564  13.138
  332    HB3  GLU  53           1HB      GLU  53   3.173   1.698  11.842
  333    HG2  GLU  53           2HG      GLU  53   1.044   2.233  12.864
  334    HG3  GLU  53           1HG      GLU  53   1.329   1.039  14.131
  335    H    SER  54           H        SER  54   2.127   2.025  10.369
  336    HA   SER  54           HA       SER  54  -0.746   2.133  10.025
  337    HG   SER  54           HG       SER  54   2.406   3.943   9.916
  338    HB2  SER  54           2HB      SER  54  -0.259   4.399   9.065
  339    HB3  SER  54           1HB      SER  54   0.348   4.166  10.704
  340    H    GLU  55           H        GLU  55   1.850   0.936   8.198
  341    HA   GLU  55           HA       GLU  55   0.243   1.072   5.758
  342    HB2  GLU  55           2HB      GLU  55   3.072   2.073   5.979
  343    HB3  GLU  55           1HB      GLU  55   2.328   1.656   4.441
  344    HG2  GLU  55           2HG      GLU  55   0.529   3.305   4.946
  345    HG3  GLU  55           1HG      GLU  55   1.450   3.796   6.366
  346    H    ILE  56           H        ILE  56   1.188  -0.217   3.971
  347    HA   ILE  56           HA       ILE  56   2.635  -2.602   4.856
  348    HB   ILE  56           HB       ILE  56   0.783  -3.859   4.886
  349   HG12  ILE  56          2HG1      ILE  56   0.512  -3.087   1.974
  350   HG13  ILE  56          1HG1      ILE  56   1.417  -4.454   2.617
  351   HG21  ILE  56          1HG2      ILE  56  -0.730  -1.552   3.674
  352   HG22  ILE  56          2HG2      ILE  56  -0.542  -1.897   5.394
  353   HG23  ILE  56          3HG2      ILE  56  -1.455  -3.004   4.368
  354   HD11  ILE  56          3HD1      ILE  56  -1.564  -4.087   2.759
  355   HD12  ILE  56          1HD1      ILE  56  -0.659  -5.458   3.400
  356   HD13  ILE  56          2HD1      ILE  56  -0.694  -5.160   1.662
  357    H    TYR  57           H        TYR  57   3.955  -3.450   3.295
  358    HA   TYR  57           HA       TYR  57   3.607  -2.605   0.522
  359    HD1  TYR  57           HD2      TYR  57   4.535   0.035  -0.262
  360    HD2  TYR  57           HD1      TYR  57   5.947  -0.794   3.662
  361    HE1  TYR  57           HE2      TYR  57   4.071   2.356   0.383
  362    HE2  TYR  57           HE1      TYR  57   5.479   1.529   4.328
  363    HH   TYR  57           HH       TYR  57   5.286   3.845   2.986
  364    HB2  TYR  57           2HB      TYR  57   6.287  -2.361   1.908
  365    HB3  TYR  57           1HB      TYR  57   5.926  -1.956   0.239
  366    H    CYS  58           H        CYS  58   5.289  -3.731  -0.888
  367    HA   CYS  58           HA       CYS  58   5.497  -6.505  -0.229
  368    HB2  CYS  58           2HB      CYS  58   6.598  -6.761  -2.325
  369    HB3  CYS  58           1HB      CYS  58   5.376  -5.518  -2.581
  370    H    LYS  59           H        LYS  59   7.988  -7.349  -0.719
  371    HA   LYS  59           HA       LYS  59   9.431  -6.284   1.559
  372    HB2  LYS  59           2HB      LYS  59  10.048  -8.663  -0.195
  373    HB3  LYS  59           1HB      LYS  59  10.906  -8.233   1.281
  374    HG2  LYS  59           2HG      LYS  59   8.726  -8.466   2.501
  375    HG3  LYS  59           1HG      LYS  59   8.046  -9.119   1.010
  376    HD2  LYS  59           2HD      LYS  59   9.739 -10.900   1.038
  377    HD3  LYS  59           1HD      LYS  59  10.372 -10.259   2.556
  378    HE2  LYS  59           2HE      LYS  59   7.612 -11.375   2.079
  379    HE3  LYS  59           1HE      LYS  59   8.910 -12.138   2.992
  380    HZ1  LYS  59           3HZ      LYS  59   7.421 -11.144   4.533
  381    HZ2  LYS  59           1HZ      LYS  59   7.428  -9.667   3.700
  382    HZ3  LYS  59           2HZ      LYS  59   8.821 -10.184   4.519
  383    H    VAL  60           H        VAL  60   9.365  -5.768  -1.752
  384    HA   VAL  60           HA       VAL  60  12.187  -5.272  -2.112
  385    HB   VAL  60           HB       VAL  60   9.885  -4.468  -3.907
  386   HG11  VAL  60          1HG1      VAL  60  11.597  -4.335  -5.657
  387   HG12  VAL  60          2HG1      VAL  60  12.839  -4.723  -4.465
  388   HG13  VAL  60          3HG1      VAL  60  11.933  -3.215  -4.336
  389   HG21  VAL  60          3HG2      VAL  60  11.626  -6.935  -3.989
  390   HG22  VAL  60          1HG2      VAL  60  10.444  -6.474  -5.213
  391   HG23  VAL  60          2HG2      VAL  60   9.910  -6.880  -3.582
  392    H    CYS  61           H        CYS  61   9.245  -3.262  -2.022
  393    HA   CYS  61           HA       CYS  61  10.673  -0.808  -2.006
  394    HB2  CYS  61           2HB      CYS  61   7.835  -1.368  -1.140
  395    HB3  CYS  61           1HB      CYS  61   8.514   0.221  -1.487
  396    H    TYR  62           H        TYR  62   9.468  -2.933   0.510
  397    HA   TYR  62           HA       TYR  62   9.936  -1.310   2.737
  398    HD1  TYR  62           HD1      TYR  62  12.048  -4.463   4.193
  399    HD2  TYR  62           HD2      TYR  62   8.332  -2.575   5.035
  400    HE1  TYR  62           HE1      TYR  62  12.538  -4.586   6.601
  401    HE2  TYR  62           HE2      TYR  62   8.814  -2.687   7.443
  402    HH   TYR  62           HH       TYR  62  10.190  -4.063   8.981
  403    HB2  TYR  62           2HB      TYR  62   8.780  -3.494   2.840
  404    HB3  TYR  62           1HB      TYR  62  10.302  -4.308   2.490
  405    H    GLY  63           H        GLY  63  12.092  -3.528   1.003
  406    HA2  GLY  63           2HA      GLY  63  14.375  -3.057   2.594
  407    HA3  GLY  63           1HA      GLY  63  14.375  -3.720   0.968
  408    H    ARG  64           H        ARG  64  12.966  -1.232  -0.014
  409    HA   ARG  64           HA       ARG  64  15.305   0.290  -0.610
  410    HE   ARG  64           HE       ARG  64  14.261   1.906  -3.991
  411    HB2  ARG  64           2HB      ARG  64  12.396   0.964  -1.071
  412    HB3  ARG  64           1HB      ARG  64  13.757   1.841  -1.750
  413    HG2  ARG  64           2HG      ARG  64  14.432  -0.256  -2.915
  414    HG3  ARG  64           1HG      ARG  64  12.930  -0.990  -2.342
  415    HD2  ARG  64           2HD      ARG  64  12.585  -0.185  -4.580
  416    HD3  ARG  64           1HD      ARG  64  11.673   0.835  -3.468
  417   HH11  ARG  64          1HH1      ARG  64  10.988   1.695  -5.230
  418   HH12  ARG  64          2HH1      ARG  64  11.186   3.044  -6.314
  419   HH21  ARG  64          1HH2      ARG  64  14.516   3.681  -5.378
  420   HH22  ARG  64          2HH2      ARG  64  13.189   4.194  -6.382
  421    H    ARG  65           H        ARG  65  12.455   0.847   1.419
  422    HA   ARG  65           HA       ARG  65  13.116   3.489   2.163
  423    HE   ARG  65           HE       ARG  65   9.232   4.550   3.578
  424    HB2  ARG  65           2HB      ARG  65  11.408   1.471   3.630
  425    HB3  ARG  65           1HB      ARG  65  11.453   3.194   3.964
  426    HG2  ARG  65           2HG      ARG  65  10.576   3.652   1.732
  427    HG3  ARG  65           1HG      ARG  65  10.525   1.918   1.401
  428    HD2  ARG  65           2HD      ARG  65   8.325   2.676   2.039
  429    HD3  ARG  65           1HD      ARG  65   8.973   1.637   3.307
  430   HH11  ARG  65          1HH1      ARG  65   7.829   1.534   4.696
  431   HH12  ARG  65          2HH1      ARG  65   7.188   2.232   6.146
  432   HH21  ARG  65          1HH2      ARG  65   8.377   5.456   5.495
  433   HH22  ARG  65          2HH2      ARG  65   7.468   4.448   6.588
  434    H    TYR  66           H        TYR  66  13.695   0.371   3.756
  435    HA   TYR  66           HA       TYR  66  14.972   1.764   5.979
  436    HD1  TYR  66           HD2      TYR  66  11.855  -0.559   5.136
  437    HD2  TYR  66           HD1      TYR  66  13.805   0.923   8.616
  438    HE1  TYR  66           HE2      TYR  66   9.674   0.054   6.092
  439    HE2  TYR  66           HE1      TYR  66  11.629   1.534   9.582
  440    HH   TYR  66           HH       TYR  66   8.682   0.422   8.328
  441    HB2  TYR  66           2HB      TYR  66  14.185  -1.127   5.609
  442    HB3  TYR  66           1HB      TYR  66  14.992  -0.500   7.046
  Start of MODEL   12
    1    H1   GLY   7           1H       GLY   7 -18.952   4.088   6.434
    2    HA2  GLY   7           2HA      GLY   7 -18.111   1.315   6.896
    3    HA3  GLY   7           1HA      GLY   7 -17.948   1.983   5.279
    4    H    ALA   8           H        ALA   8 -15.662   1.321   5.832
    5    HA   ALA   8           HA       ALA   8 -14.260   3.287   7.493
    6    HB1  ALA   8           3HB      ALA   8 -13.687   0.966   7.890
    7    HB2  ALA   8           1HB      ALA   8 -12.307   1.802   7.179
    8    HB3  ALA   8           2HB      ALA   8 -13.303   0.742   6.184
    9    H    LYS   9           H        LYS   9 -11.869   3.639   6.358
   10    HA   LYS   9           HA       LYS   9 -12.474   4.584   3.646
   11    HB2  LYS   9           2HB      LYS   9 -11.071   6.544   4.013
   12    HB3  LYS   9           1HB      LYS   9 -12.385   6.505   5.177
   13    HG2  LYS   9           2HG      LYS   9 -10.914   5.819   6.925
   14    HG3  LYS   9           1HG      LYS   9  -9.590   5.577   5.783
   15    HD2  LYS   9           2HD      LYS   9 -10.920   8.220   6.375
   16    HD3  LYS   9           1HD      LYS   9  -9.375   7.691   7.039
   17    HE2  LYS   9           2HE      LYS   9  -8.411   7.613   4.817
   18    HE3  LYS   9           1HE      LYS   9  -9.966   8.028   4.098
   19    HZ1  LYS   9           3HZ      LYS   9  -9.877  10.172   5.159
   20    HZ2  LYS   9           1HZ      LYS   9  -8.461   9.941   4.259
   21    HZ3  LYS   9           2HZ      LYS   9  -8.427   9.778   5.946
   22    H    CYS  10           H        CYS  10 -11.099   4.017   2.131
   23    HA   CYS  10           HA       CYS  10  -9.264   1.953   2.556
   24    HB2  CYS  10           2HB      CYS  10 -10.429   2.517   0.422
   25    HB3  CYS  10           1HB      CYS  10  -9.346   3.887   0.242
   26    H    GLY  11           H        GLY  11  -7.203   1.900   3.081
   27    HA2  GLY  11           2HA      GLY  11  -5.670   4.137   3.817
   28    HA3  GLY  11           1HA      GLY  11  -5.030   2.535   3.482
   29    H    ALA  12           H        ALA  12  -6.251   2.710   0.704
   30    HA   ALA  12           HA       ALA  12  -4.035   4.223  -0.495
   31    HB1  ALA  12           3HB      ALA  12  -4.476   2.952  -2.521
   32    HB2  ALA  12           1HB      ALA  12  -5.891   2.213  -1.772
   33    HB3  ALA  12           2HB      ALA  12  -4.279   1.863  -1.149
   34    H    CYS  13           H        CYS  13  -7.506   3.655  -1.050
   35    HA   CYS  13           HA       CYS  13  -7.813   6.008  -2.674
   36    HB2  CYS  13           2HB      CYS  13  -9.939   4.343  -1.300
   37    HB3  CYS  13           1HB      CYS  13 -10.204   5.491  -2.601
   38    H    GLU  14           H        GLU  14  -9.500   7.695  -2.008
   39    HA   GLU  14           HA       GLU  14  -9.706   7.950   0.922
   40    HB2  GLU  14           2HB      GLU  14 -10.175   9.991  -1.262
   41    HB3  GLU  14           1HB      GLU  14 -10.599  10.258   0.424
   42    HG2  GLU  14           2HG      GLU  14  -8.231   9.907   1.033
   43    HG3  GLU  14           1HG      GLU  14  -7.844   9.777  -0.682
   44    H    LYS  15           H        LYS  15 -10.971   6.366  -1.343
   45    HA   LYS  15           HA       LYS  15 -13.786   6.918  -1.128
   46    HB2  LYS  15           2HB      LYS  15 -12.326   4.540  -2.308
   47    HB3  LYS  15           1HB      LYS  15 -14.023   4.934  -2.547
   48    HG2  LYS  15           2HG      LYS  15 -13.516   6.804  -3.875
   49    HG3  LYS  15           1HG      LYS  15 -11.830   6.811  -3.360
   50    HD2  LYS  15           2HD      LYS  15 -12.014   5.963  -5.625
   51    HD3  LYS  15           1HD      LYS  15 -11.473   4.685  -4.535
   52    HE2  LYS  15           2HE      LYS  15 -13.735   3.786  -4.454
   53    HE3  LYS  15           1HE      LYS  15 -14.303   5.079  -5.508
   54    HZ1  LYS  15           3HZ      LYS  15 -12.375   2.925  -6.202
   55    HZ2  LYS  15           1HZ      LYS  15 -12.742   4.239  -7.215
   56    HZ3  LYS  15           2HZ      LYS  15 -13.948   3.120  -6.802
   57    H    THR  16           H        THR  16 -15.235   5.105  -0.447
   58    HA   THR  16           HA       THR  16 -14.474   4.364   2.219
   59    HB   THR  16           HB       THR  16 -16.927   3.217   1.755
   60    HG1  THR  16           HG1      THR  16 -17.881   4.202   0.135
   61   HG21  THR  16          3HG2      THR  16 -16.330   4.664   3.640
   62   HG22  THR  16          1HG2      THR  16 -17.841   5.190   2.897
   63   HG23  THR  16          2HG2      THR  16 -16.345   6.068   2.573
   64    H    VAL  17           H        VAL  17 -13.936   2.433   2.968
   65    HA   VAL  17           HA       VAL  17 -13.849   0.150   1.148
   66    HB   VAL  17           HB       VAL  17 -12.622   0.674   3.849
   67   HG11  VAL  17          1HG1      VAL  17 -12.722  -1.974   2.407
   68   HG12  VAL  17          2HG1      VAL  17 -13.499  -1.602   3.946
   69   HG13  VAL  17          3HG1      VAL  17 -11.739  -1.618   3.827
   70   HG21  VAL  17          3HG2      VAL  17 -10.556   0.137   2.658
   71   HG22  VAL  17          1HG2      VAL  17 -11.422   1.473   1.899
   72   HG23  VAL  17          2HG2      VAL  17 -11.490  -0.141   1.186
   73    H    TYR  18           H        TYR  18 -15.271  -1.461   1.237
   74    HA   TYR  18           HA       TYR  18 -17.164  -1.458   3.501
   75    HD1  TYR  18           HD2      TYR  18 -19.066   0.140   2.937
   76    HD2  TYR  18           HD1      TYR  18 -17.624  -0.874  -0.933
   77    HE1  TYR  18           HE2      TYR  18 -19.648   2.391   2.136
   78    HE2  TYR  18           HE1      TYR  18 -18.200   1.372  -1.744
   79    HH   TYR  18           HH       TYR  18 -19.791   3.186  -1.132
   80    HB2  TYR  18           2HB      TYR  18 -17.642  -2.497   0.700
   81    HB3  TYR  18           1HB      TYR  18 -18.832  -2.349   1.987
   82    H    HIS  19           H        HIS  19 -17.990  -3.638   4.078
   83    HA   HIS  19           HA       HIS  19 -15.923  -5.527   4.342
   84    HD1  HIS  19           HD1      HIS  19 -19.958  -4.371   5.917
   85    HD2  HIS  19           HD2      HIS  19 -19.768  -7.523   3.211
   86    HE1  HIS  19           HE1      HIS  19 -22.302  -4.673   5.062
   87    HE2  HIS  19           HE2      HIS  19 -22.198  -6.735   3.617
   88    HB2  HIS  19           2HB      HIS  19 -17.660  -7.088   5.156
   89    HB3  HIS  19           1HB      HIS  19 -17.738  -5.515   5.931
   90    H    ALA  20           H        ALA  20 -17.899  -4.797   1.725
   91    HA   ALA  20           HA       ALA  20 -18.091  -7.076   0.206
   92    HB1  ALA  20           3HB      ALA  20 -18.927  -4.911  -0.515
   93    HB2  ALA  20           1HB      ALA  20 -17.862  -5.588  -1.747
   94    HB3  ALA  20           2HB      ALA  20 -17.277  -4.306  -0.682
   95    H    GLU  21           H        GLU  21 -15.256  -4.928   0.519
   96    HA   GLU  21           HA       GLU  21 -13.567  -7.194  -0.181
   97    HB2  GLU  21           2HB      GLU  21 -12.250  -5.930  -1.759
   98    HB3  GLU  21           1HB      GLU  21 -13.911  -6.011  -2.298
   99    HG2  GLU  21           2HG      GLU  21 -14.247  -3.698  -1.611
  100    HG3  GLU  21           1HG      GLU  21 -12.601  -3.644  -0.976
  101    H    GLU  22           H        GLU  22 -13.993  -6.152   2.319
  102    HA   GLU  22           HA       GLU  22 -11.861  -4.310   2.953
  103    HB2  GLU  22           2HB      GLU  22 -13.916  -4.103   4.210
  104    HB3  GLU  22           1HB      GLU  22 -13.828  -5.793   4.702
  105    HG2  GLU  22           2HG      GLU  22 -11.755  -5.298   5.932
  106    HG3  GLU  22           1HG      GLU  22 -11.926  -3.600   5.484
  107    H    ILE  23           H        ILE  23  -9.844  -4.943   3.204
  108    HA   ILE  23           HA       ILE  23  -9.367  -7.523   4.542
  109    HB   ILE  23           HB       ILE  23  -7.550  -5.949   2.701
  110   HG12  ILE  23          2HG1      ILE  23  -8.494  -8.803   2.467
  111   HG13  ILE  23          1HG1      ILE  23  -9.368  -7.455   1.740
  112   HG21  ILE  23          1HG2      ILE  23  -5.900  -7.730   3.068
  113   HG22  ILE  23          2HG2      ILE  23  -6.949  -8.437   4.297
  114   HG23  ILE  23          3HG2      ILE  23  -6.244  -6.839   4.550
  115   HD11  ILE  23          3HD1      ILE  23  -7.940  -8.584   0.129
  116   HD12  ILE  23          1HD1      ILE  23  -6.531  -8.260   1.139
  117   HD13  ILE  23          2HD1      ILE  23  -7.408  -6.923   0.394
  118    H    GLN  24           H        GLN  24  -8.802  -7.372   6.590
  119    HA   GLN  24           HA       GLN  24  -7.882  -4.778   7.609
  120    HB2  GLN  24           2HB      GLN  24  -8.899  -7.195   9.114
  121    HB3  GLN  24           1HB      GLN  24  -8.489  -5.639   9.820
  122    HG2  GLN  24           2HG      GLN  24 -10.293  -4.589   8.539
  123    HG3  GLN  24           1HG      GLN  24 -10.710  -6.159   7.854
  124   HE21  GLN  24          1HE2      GLN  24 -12.344  -4.381   9.448
  125   HE22  GLN  24          2HE2      GLN  24 -12.800  -5.263  10.862
  126    H    CYS  25           H        CYS  25  -5.724  -4.648   7.477
  127    HA   CYS  25           HA       CYS  25  -4.178  -6.879   8.612
  128    HG   CYS  25           HG       CYS  25  -4.304  -6.784   4.749
  129    HB2  CYS  25           2HB      CYS  25  -3.443  -4.997   6.377
  130    HB3  CYS  25           1HB      CYS  25  -2.263  -6.011   7.206
  131    H    ASN  26           H        ASN  26  -3.112  -6.495  10.372
  132    HA   ASN  26           HA       ASN  26  -1.990  -5.492  12.065
  133    HB2  ASN  26           2HB      ASN  26  -0.735  -4.359  10.192
  134    HB3  ASN  26           1HB      ASN  26  -1.833  -2.995  10.375
  135   HD21  ASN  26          1HD2      ASN  26  -0.372  -1.527  11.055
  136   HD22  ASN  26          2HD2      ASN  26   0.492  -1.633  12.554
  137    H    GLY  27           H        GLY  27  -4.732  -3.946  10.672
  138    HA2  GLY  27           2HA      GLY  27  -6.371  -3.488  12.641
  139    HA3  GLY  27           1HA      GLY  27  -5.152  -2.285  13.045
  140    H    ARG  28           H        ARG  28  -4.973  -2.380   9.832
  141    HA   ARG  28           HA       ARG  28  -6.892  -0.172   9.522
  142    HE   ARG  28           HE       ARG  28  -5.614   0.734  11.387
  143    HB2  ARG  28           2HB      ARG  28  -4.496  -0.897   7.824
  144    HB3  ARG  28           1HB      ARG  28  -5.521   0.512   7.608
  145    HG2  ARG  28           2HG      ARG  28  -3.918   0.010  10.100
  146    HG3  ARG  28           1HG      ARG  28  -3.303   0.914   8.717
  147    HD2  ARG  28           2HD      ARG  28  -4.103   2.620  10.028
  148    HD3  ARG  28           1HD      ARG  28  -5.513   2.287   9.026
  149   HH11  ARG  28          1HH1      ARG  28  -6.013   4.025  10.245
  150   HH12  ARG  28          2HH1      ARG  28  -7.071   4.483  11.552
  151   HH21  ARG  28          1HH2      ARG  28  -6.954   1.325  13.112
  152   HH22  ARG  28          2HH2      ARG  28  -7.579   2.947  13.217
  153    H    SER  29           H        SER  29  -8.399  -0.199   7.878
  154    HA   SER  29           HA       SER  29  -8.809  -2.748   6.520
  155    HG   SER  29           HG       SER  29 -11.754  -2.388   7.760
  156    HB2  SER  29           2HB      SER  29 -10.583  -0.304   6.754
  157    HB3  SER  29           1HB      SER  29 -11.021  -1.777   5.892
  158    H    PHE  30           H        PHE  30  -8.270  -3.051   4.469
  159    HA   PHE  30           HA       PHE  30  -7.982  -0.699   2.707
  160    HD1  PHE  30           HD1      PHE  30  -5.354   0.319   2.435
  161    HD2  PHE  30           HD2      PHE  30  -5.268  -3.243   4.761
  162    HE1  PHE  30           HE1      PHE  30  -3.734   1.360   3.962
  163    HE2  PHE  30           HE2      PHE  30  -3.643  -2.209   6.292
  164    HZ   PHE  30           HZ       PHE  30  -2.860   0.074   5.893
  165    HB2  PHE  30           2HB      PHE  30  -6.316  -3.231   2.651
  166    HB3  PHE  30           1HB      PHE  30  -6.154  -1.865   1.555
  167    H    HIS  31           H        HIS  31  -8.450  -1.106   0.452
  168    HA   HIS  31           HA       HIS  31 -10.556  -2.974  -0.026
  169    HD2  HIS  31           HD2      HIS  31 -12.424  -1.705  -0.207
  170    HE1  HIS  31           HE1      HIS  31 -12.270   2.092  -2.045
  171    HE2  HIS  31           HE2      HIS  31 -13.687   0.515  -0.683
  172    HB2  HIS  31           2HB      HIS  31  -8.922  -1.200  -1.835
  173    HB3  HIS  31           1HB      HIS  31 -10.047  -2.374  -2.496
  174    H    LYS  32           H        LYS  32 -10.506  -4.928  -1.017
  175    HA   LYS  32           HA       LYS  32  -8.202  -6.488  -1.176
  176    HB2  LYS  32           2HB      LYS  32 -10.262  -7.621  -1.137
  177    HB3  LYS  32           1HB      LYS  32 -10.927  -6.654  -2.442
  178    HG2  LYS  32           2HG      LYS  32  -8.632  -8.478  -2.989
  179    HG3  LYS  32           1HG      LYS  32 -10.258  -9.141  -2.832
  180    HD2  LYS  32           2HD      LYS  32  -9.342  -7.021  -4.778
  181    HD3  LYS  32           1HD      LYS  32  -9.802  -8.682  -5.161
  182    HE2  LYS  32           2HE      LYS  32 -12.066  -8.284  -4.587
  183    HE3  LYS  32           1HE      LYS  32 -11.667  -6.740  -3.839
  184    HZ1  LYS  32           3HZ      LYS  32 -12.713  -6.544  -6.058
  185    HZ2  LYS  32           1HZ      LYS  32 -11.365  -7.316  -6.737
  186    HZ3  LYS  32           2HZ      LYS  32 -11.187  -5.808  -5.975
  187    H    THR  33           H        THR  33  -9.618  -4.223  -3.399
  188    HA   THR  33           HA       THR  33  -7.881  -4.945  -5.596
  189    HB   THR  33           HB       THR  33  -9.526  -2.427  -5.433
  190    HG1  THR  33           HG1      THR  33 -11.057  -3.902  -4.912
  191   HG21  THR  33          3HG2      THR  33  -9.790  -2.828  -7.848
  192   HG22  THR  33          1HG2      THR  33  -8.808  -4.287  -7.707
  193   HG23  THR  33          2HG2      THR  33  -8.089  -2.707  -7.397
  194    H    CYS  34           H        CYS  34  -7.416  -3.268  -2.768
  195    HA   CYS  34           HA       CYS  34  -5.267  -1.645  -3.968
  196    HB2  CYS  34           2HB      CYS  34  -6.931  -0.906  -1.554
  197    HB3  CYS  34           1HB      CYS  34  -5.675   0.074  -2.304
  198    H    PHE  35           H        PHE  35  -5.541  -4.360  -2.565
  199    HA   PHE  35           HA       PHE  35  -4.162  -3.986  -0.061
  200    HD1  PHE  35           HD1      PHE  35  -4.518  -5.237   1.937
  201    HD2  PHE  35           HD2      PHE  35  -3.725  -8.347  -0.847
  202    HE1  PHE  35           HE1      PHE  35  -3.397  -6.522   3.700
  203    HE2  PHE  35           HE2      PHE  35  -2.610  -9.643   0.915
  204    HZ   PHE  35           HZ       PHE  35  -2.441  -8.723   3.187
  205    HB2  PHE  35           2HB      PHE  35  -5.895  -5.711  -0.310
  206    HB3  PHE  35           1HB      PHE  35  -4.919  -6.516  -1.535
  207    H    HIS  36           H        HIS  36  -3.125  -4.005  -3.177
  208    HA   HIS  36           HA       HIS  36  -0.712  -5.513  -2.555
  209    HD1  HIS  36           HD1      HIS  36  -3.906  -5.862  -5.058
  210    HD2  HIS  36           HD2      HIS  36  -1.287  -2.977  -6.498
  211    HE1  HIS  36           HE1      HIS  36  -5.246  -4.485  -6.686
  212    HE2  HIS  36           HE2      HIS  36  -3.686  -2.645  -7.430
  213    HB2  HIS  36           2HB      HIS  36  -0.257  -5.112  -5.082
  214    HB3  HIS  36           1HB      HIS  36  -1.427  -6.318  -4.572
  215    H    CYS  37           H        CYS  37   1.333  -4.545  -3.707
  216    HA   CYS  37           HA       CYS  37   2.161  -2.797  -1.770
  217    HB2  CYS  37           2HB      CYS  37   3.581  -4.261  -3.216
  218    HB3  CYS  37           1HB      CYS  37   3.439  -3.055  -4.489
  219    H    MET  38           H        MET  38   2.089  -0.742  -1.392
  220    HA   MET  38           HA       MET  38   0.726   1.078  -3.130
  221    HB2  MET  38           2HB      MET  38   2.280   1.637  -0.597
  222    HB3  MET  38           1HB      MET  38   1.158   2.740  -1.381
  223    HG2  MET  38           2HG      MET  38   0.464   0.079  -0.157
  224    HG3  MET  38           1HG      MET  38   0.156   1.662   0.555
  225    HE1  MET  38           3HE      MET  38  -2.355   0.961   0.914
  226    HE2  MET  38           1HE      MET  38  -2.077  -0.606   0.156
  227    HE3  MET  38           2HE      MET  38  -3.424   0.405  -0.373
  228    H    ALA  39           H        ALA  39   3.996   0.128  -2.772
  229    HA   ALA  39           HA       ALA  39   5.029   2.673  -3.729
  230    HB1  ALA  39           3HB      ALA  39   6.545   0.162  -3.061
  231    HB2  ALA  39           1HB      ALA  39   6.215   1.487  -1.942
  232    HB3  ALA  39           2HB      ALA  39   7.224   1.763  -3.361
  233    H    CYS  40           H        CYS  40   5.310  -0.755  -4.794
  234    HA   CYS  40           HA       CYS  40   5.753   0.271  -7.495
  235    HB2  CYS  40           2HB      CYS  40   6.421  -2.024  -8.102
  236    HB3  CYS  40           1HB      CYS  40   7.386  -1.396  -6.779
  237    H    ARG  41           H        ARG  41   4.321  -2.807  -6.840
  238    HA   ARG  41           HA       ARG  41   1.685  -2.228  -6.418
  239    HE   ARG  41           HE       ARG  41  -1.884  -0.046  -7.821
  240    HB2  ARG  41           2HB      ARG  41   2.172  -1.388  -8.985
  241    HB3  ARG  41           1HB      ARG  41   1.579  -3.025  -9.245
  242    HG2  ARG  41           2HG      ARG  41  -0.213  -1.318  -9.304
  243    HG3  ARG  41           1HG      ARG  41  -0.457  -2.536  -8.050
  244    HD2  ARG  41           2HD      ARG  41   0.508  -0.984  -6.392
  245    HD3  ARG  41           1HD      ARG  41   0.670   0.238  -7.650
  246   HH11  ARG  41          1HH1      ARG  41  -0.053  -0.407  -4.853
  247   HH12  ARG  41          2HH1      ARG  41  -1.322   0.207  -3.841
  248   HH21  ARG  41          1HH2      ARG  41  -3.568   0.784  -6.482
  249   HH22  ARG  41          2HH2      ARG  41  -3.311   0.883  -4.765
  250    H    LYS  42           H        LYS  42   3.925  -4.131  -6.116
  251    HA   LYS  42           HA       LYS  42   3.587  -6.653  -7.118
  252    HB2  LYS  42           2HB      LYS  42   4.928  -5.469  -4.976
  253    HB3  LYS  42           1HB      LYS  42   3.908  -6.685  -4.227
  254    HG2  LYS  42           2HG      LYS  42   5.960  -7.151  -6.374
  255    HG3  LYS  42           1HG      LYS  42   6.093  -7.552  -4.661
  256    HD2  LYS  42           2HD      LYS  42   3.944  -8.691  -6.427
  257    HD3  LYS  42           1HD      LYS  42   5.520  -9.458  -6.233
  258    HE2  LYS  42           2HE      LYS  42   5.076  -9.418  -3.736
  259    HE3  LYS  42           1HE      LYS  42   3.418  -8.970  -4.137
  260    HZ1  LYS  42           3HZ      LYS  42   3.289 -11.016  -5.494
  261    HZ2  LYS  42           1HZ      LYS  42   3.545 -11.334  -3.845
  262    HZ3  LYS  42           2HZ      LYS  42   4.830 -11.451  -4.941
  263    H    ALA  43           H        ALA  43   2.008  -8.183  -7.001
  264    HA   ALA  43           HA       ALA  43  -0.426  -7.612  -5.618
  265    HB1  ALA  43           3HB      ALA  43  -0.379  -8.836  -7.749
  266    HB2  ALA  43           1HB      ALA  43  -1.198  -9.750  -6.481
  267    HB3  ALA  43           2HB      ALA  43   0.448 -10.175  -6.952
  268    H    LEU  44           H        LEU  44   0.144  -7.445  -3.430
  269    HA   LEU  44           HA       LEU  44   1.537  -9.522  -2.050
  270    HG   LEU  44           HG       LEU  44   2.267  -6.617   0.041
  271    HB2  LEU  44           2HB      LEU  44   0.145  -7.014  -1.217
  272    HB3  LEU  44           1HB      LEU  44   0.537  -8.212  -0.004
  273   HD11  LEU  44          1HD1      LEU  44   4.251  -7.898  -0.639
  274   HD12  LEU  44          2HD1      LEU  44   3.207  -9.002  -1.537
  275   HD13  LEU  44          3HD1      LEU  44   3.067  -8.887   0.217
  276   HD21  LEU  44          3HD2      LEU  44   3.586  -6.013  -1.946
  277   HD22  LEU  44          1HD2      LEU  44   1.901  -5.502  -2.034
  278   HD23  LEU  44          2HD2      LEU  44   2.442  -6.914  -2.942
  279    H    ASP  45           H        ASP  45   0.778 -10.969  -0.560
  280    HA   ASP  45           HA       ASP  45  -2.145 -11.303  -0.402
  281    HB2  ASP  45           2HB      ASP  45  -1.779 -13.683   0.061
  282    HB3  ASP  45           1HB      ASP  45  -1.076 -13.234  -1.492
  283    H    SER  46           H        SER  46  -2.124 -13.067   1.824
  284    HA   SER  46           HA       SER  46  -2.189 -11.075   3.818
  285    HG   SER  46           HG       SER  46  -2.336 -12.145   5.951
  286    HB2  SER  46           2HB      SER  46  -3.696 -13.024   3.776
  287    HB3  SER  46           1HB      SER  46  -2.332 -14.077   4.147
  288    H    THR  47           H        THR  47   0.315 -13.453   3.016
  289    HA   THR  47           HA       THR  47   1.610 -12.876   5.587
  290    HB   THR  47           HB       THR  47   3.124 -14.835   4.856
  291    HG1  THR  47           HG1      THR  47   2.626 -15.652   2.975
  292   HG21  THR  47          3HG2      THR  47   1.517 -16.452   5.746
  293   HG22  THR  47          1HG2      THR  47   0.213 -15.288   5.508
  294   HG23  THR  47          2HG2      THR  47   1.493 -14.950   6.672
  295    H    THR  48           H        THR  48   2.017 -12.288   2.203
  296    HA   THR  48           HA       THR  48   4.883 -11.949   2.394
  297    HB   THR  48           HB       THR  48   4.594 -11.110  -0.011
  298    HG1  THR  48           HG1      THR  48   2.203 -12.456  -0.218
  299   HG21  THR  48          3HG2      THR  48   3.770 -13.907   0.769
  300   HG22  THR  48          1HG2      THR  48   5.413 -13.332   0.492
  301   HG23  THR  48          2HG2      THR  48   4.271 -13.423  -0.851
  302    H    VAL  49           H        VAL  49   2.181  -9.972   2.943
  303    HA   VAL  49           HA       VAL  49   3.299  -7.501   2.043
  304    HB   VAL  49           HB       VAL  49   0.963  -7.478   2.105
  305   HG11  VAL  49          1HG1      VAL  49   0.651  -9.431   3.572
  306   HG12  VAL  49          2HG1      VAL  49  -0.385  -8.089   4.060
  307   HG13  VAL  49          3HG1      VAL  49   1.085  -8.445   4.968
  308   HG21  VAL  49          3HG2      VAL  49   1.852  -6.071   4.618
  309   HG22  VAL  49          1HG2      VAL  49   0.350  -5.769   3.745
  310   HG23  VAL  49          2HG2      VAL  49   1.900  -5.411   2.983
  311    H    ALA  50           H        ALA  50   4.458  -6.005   3.084
  312    HA   ALA  50           HA       ALA  50   5.009  -6.430   5.941
  313    HB1  ALA  50           3HB      ALA  50   7.019  -6.561   4.549
  314    HB2  ALA  50           1HB      ALA  50   7.075  -5.147   5.603
  315    HB3  ALA  50           2HB      ALA  50   6.675  -4.960   3.895
  316    H    ALA  51           H        ALA  51   3.863  -5.109   7.202
  317    HA   ALA  51           HA       ALA  51   2.969  -2.553   6.045
  318    HB1  ALA  51           3HB      ALA  51   1.572  -4.248   8.109
  319    HB2  ALA  51           1HB      ALA  51   1.156  -4.162   6.397
  320    HB3  ALA  51           2HB      ALA  51   0.977  -2.738   7.423
  321    H    HIS  52           H        HIS  52   3.889  -0.847   6.892
  322    HA   HIS  52           HA       HIS  52   4.694  -0.823   9.711
  323    HD1  HIS  52           HD1      HIS  52   5.356   3.493   8.267
  324    HD2  HIS  52           HD2      HIS  52   6.570   0.747  11.157
  325    HE1  HIS  52           HE1      HIS  52   6.096   4.858  10.246
  326    HE2  HIS  52           HE2      HIS  52   6.606   3.171  12.053
  327    HB2  HIS  52           2HB      HIS  52   6.357   0.078   8.180
  328    HB3  HIS  52           1HB      HIS  52   5.166   1.156   7.461
  329    H    GLU  53           H        GLU  53   2.819  -0.617  10.836
  330    HA   GLU  53           HA       GLU  53   1.059   0.403  11.830
  331    HB2  GLU  53           2HB      GLU  53   1.835   2.924  10.358
  332    HB3  GLU  53           1HB      GLU  53   0.904   2.796  11.840
  333    HG2  GLU  53           2HG      GLU  53   3.813   2.117  11.522
  334    HG3  GLU  53           1HG      GLU  53   3.163   3.573  12.267
  335    H    SER  54           H        SER  54   0.921   2.450   8.958
  336    HA   SER  54           HA       SER  54  -1.551   1.071   8.144
  337    HG   SER  54           HG       SER  54  -0.696   4.769   7.338
  338    HB2  SER  54           2HB      SER  54  -2.263   3.356   7.282
  339    HB3  SER  54           1HB      SER  54  -2.190   3.202   9.037
  340    H    GLU  55           H        GLU  55   1.515   1.304   7.347
  341    HA   GLU  55           HA       GLU  55   1.086   1.912   4.491
  342    HB2  GLU  55           2HB      GLU  55   3.682   2.005   6.037
  343    HB3  GLU  55           1HB      GLU  55   3.411   2.553   4.388
  344    HG2  GLU  55           2HG      GLU  55   2.028   4.347   5.135
  345    HG3  GLU  55           1HG      GLU  55   2.044   3.737   6.789
  346    H    ILE  56           H        ILE  56   0.601  -0.093   3.690
  347    HA   ILE  56           HA       ILE  56   2.407  -2.309   4.300
  348    HB   ILE  56           HB       ILE  56   0.608  -3.601   4.208
  349   HG12  ILE  56          2HG1      ILE  56   0.239  -2.584   1.382
  350   HG13  ILE  56          1HG1      ILE  56   1.107  -4.035   1.894
  351   HG21  ILE  56          1HG2      ILE  56  -1.000  -1.246   3.238
  352   HG22  ILE  56          2HG2      ILE  56  -0.612  -1.591   4.923
  353   HG23  ILE  56          3HG2      ILE  56  -1.619  -2.711   4.005
  354   HD11  ILE  56          3HD1      ILE  56  -1.064  -4.585   0.963
  355   HD12  ILE  56          1HD1      ILE  56  -1.854  -3.560   2.162
  356   HD13  ILE  56          2HD1      ILE  56  -0.988  -5.009   2.674
  357    H    TYR  57           H        TYR  57   3.852  -3.089   2.915
  358    HA   TYR  57           HA       TYR  57   3.662  -2.373   0.073
  359    HD1  TYR  57           HD1      TYR  57   4.943   0.282  -0.723
  360    HD2  TYR  57           HD2      TYR  57   5.679  -0.631   3.367
  361    HE1  TYR  57           HE1      TYR  57   4.645   2.654  -0.143
  362    HE2  TYR  57           HE2      TYR  57   5.383   1.734   3.955
  363    HH   TYR  57           HH       TYR  57   4.242   4.084   1.641
  364    HB2  TYR  57           2HB      TYR  57   6.246  -2.194   1.645
  365    HB3  TYR  57           1HB      TYR  57   6.022  -1.815  -0.053
  366    H    CYS  58           H        CYS  58   5.338  -3.656  -1.200
  367    HA   CYS  58           HA       CYS  58   5.464  -6.381  -0.272
  368    HB2  CYS  58           2HB      CYS  58   6.354  -6.923  -2.382
  369    HB3  CYS  58           1HB      CYS  58   5.235  -5.612  -2.719
  370    H    LYS  59           H        LYS  59   7.631  -7.502  -0.251
  371    HA   LYS  59           HA       LYS  59   9.078  -6.337   1.867
  372    HB2  LYS  59           2HB      LYS  59   9.710  -8.756   0.171
  373    HB3  LYS  59           1HB      LYS  59  10.524  -8.338   1.675
  374    HG2  LYS  59           2HG      LYS  59   8.403  -8.540   2.876
  375    HG3  LYS  59           1HG      LYS  59   7.596  -8.971   1.367
  376    HD2  LYS  59           2HD      LYS  59   8.977 -10.967   1.177
  377    HD3  LYS  59           1HD      LYS  59   9.847 -10.522   2.648
  378    HE2  LYS  59           2HE      LYS  59   7.736 -10.662   3.910
  379    HE3  LYS  59           1HE      LYS  59   6.909 -11.171   2.439
  380    HZ1  LYS  59           3HZ      LYS  59   8.221 -13.160   2.377
  381    HZ2  LYS  59           1HZ      LYS  59   7.524 -13.025   3.918
  382    HZ3  LYS  59           2HZ      LYS  59   9.167 -12.647   3.689
  383    H    VAL  60           H        VAL  60   9.437  -6.039  -1.511
  384    HA   VAL  60           HA       VAL  60  12.264  -5.487  -1.481
  385    HB   VAL  60           HB       VAL  60  10.200  -5.007  -3.637
  386   HG11  VAL  60          1HG1      VAL  60  13.209  -4.843  -3.773
  387   HG12  VAL  60          2HG1      VAL  60  12.085  -3.492  -3.914
  388   HG13  VAL  60          3HG1      VAL  60  12.117  -4.748  -5.153
  389   HG21  VAL  60          3HG2      VAL  60  10.505  -7.361  -3.129
  390   HG22  VAL  60          1HG2      VAL  60  12.253  -7.184  -3.282
  391   HG23  VAL  60          2HG2      VAL  60  11.221  -6.979  -4.696
  392    H    CYS  61           H        CYS  61   9.325  -3.514  -1.965
  393    HA   CYS  61           HA       CYS  61  10.756  -1.059  -2.020
  394    HB2  CYS  61           2HB      CYS  61   7.829  -1.531  -1.448
  395    HB3  CYS  61           1HB      CYS  61   8.563   0.008  -1.881
  396    H    TYR  62           H        TYR  62   9.008  -2.809   0.515
  397    HA   TYR  62           HA       TYR  62   9.262  -0.784   2.482
  398    HD1  TYR  62           HD2      TYR  62   7.121  -0.867   4.260
  399    HD2  TYR  62           HD1      TYR  62   9.915  -3.958   5.127
  400    HE1  TYR  62           HE2      TYR  62   6.929  -0.358   6.658
  401    HE2  TYR  62           HE1      TYR  62   9.731  -3.458   7.529
  402    HH   TYR  62           HH       TYR  62   9.084  -1.649   8.990
  403    HB2  TYR  62           2HB      TYR  62   7.652  -2.690   2.620
  404    HB3  TYR  62           1HB      TYR  62   9.009  -3.763   2.942
  405    H    GLY  63           H        GLY  63  11.237  -3.577   1.610
  406    HA2  GLY  63           2HA      GLY  63  13.158  -3.265   3.669
  407    HA3  GLY  63           1HA      GLY  63  13.381  -4.158   2.170
  408    H    ARG  64           H        ARG  64  12.642  -1.604   0.689
  409    HA   ARG  64           HA       ARG  64  15.293  -0.502   0.539
  410    HE   ARG  64           HE       ARG  64  12.974   1.501  -3.468
  411    HB2  ARG  64           2HB      ARG  64  12.708  -0.008  -0.891
  412    HB3  ARG  64           1HB      ARG  64  14.021   1.154  -1.039
  413    HG2  ARG  64           2HG      ARG  64  15.487  -0.591  -1.895
  414    HG3  ARG  64           1HG      ARG  64  14.191  -1.775  -1.717
  415    HD2  ARG  64           2HD      ARG  64  14.551  -0.825  -4.041
  416    HD3  ARG  64           1HD      ARG  64  12.904  -0.781  -3.414
  417   HH11  ARG  64          1HH1      ARG  64  16.270   0.313  -3.694
  418   HH12  ARG  64          2HH1      ARG  64  16.933   1.878  -4.069
  419   HH21  ARG  64          1HH2      ARG  64  13.830   3.535  -4.016
  420   HH22  ARG  64          2HH2      ARG  64  15.542   3.697  -4.297
  421    H    ARG  65           H        ARG  65  12.104   0.718   1.526
  422    HA   ARG  65           HA       ARG  65  12.904   3.365   1.978
  423    HE   ARG  65           HE       ARG  65   9.459   5.950   4.512
  424    HB2  ARG  65           2HB      ARG  65  10.557   2.689   1.726
  425    HB3  ARG  65           1HB      ARG  65  10.627   1.852   3.270
  426    HG2  ARG  65           2HG      ARG  65  11.000   3.946   4.426
  427    HG3  ARG  65           1HG      ARG  65  11.031   4.813   2.893
  428    HD2  ARG  65           2HD      ARG  65   8.710   4.241   2.487
  429    HD3  ARG  65           1HD      ARG  65   8.668   3.275   3.965
  430   HH11  ARG  65          1HH1      ARG  65   6.611   4.077   3.681
  431   HH12  ARG  65          2HH1      ARG  65   5.525   5.098   4.578
  432   HH21  ARG  65          1HH2      ARG  65   8.038   7.289   5.657
  433   HH22  ARG  65          2HH2      ARG  65   6.342   6.925   5.701
  434    H    TYR  66           H        TYR  66  12.684   0.647   4.277
  435    HA   TYR  66           HA       TYR  66  13.882   2.411   6.302
  436    HD1  TYR  66           HD1      TYR  66  12.623   2.942   8.708
  437    HD2  TYR  66           HD2      TYR  66  10.122   0.897   5.940
  438    HE1  TYR  66           HE1      TYR  66  10.791   4.510   9.205
  439    HE2  TYR  66           HE2      TYR  66   8.292   2.456   6.428
  440    HH   TYR  66           HH       TYR  66   7.577   3.955   8.205
  441    HB2  TYR  66           2HB      TYR  66  12.175  -0.053   6.561
  442    HB3  TYR  66           1HB      TYR  66  13.099   0.583   7.917
  Start of MODEL   13
    1    H1   GLY   7           1H       GLY   7 -19.454   0.857   8.078
    2    HA2  GLY   7           2HA      GLY   7 -18.468   0.407   5.405
    3    HA3  GLY   7           1HA      GLY   7 -19.494   1.827   5.553
    4    H    ALA   8           H        ALA   8 -16.528   1.313   5.081
    5    HA   ALA   8           HA       ALA   8 -15.589   3.345   6.998
    6    HB1  ALA   8           3HB      ALA   8 -13.401   2.191   7.070
    7    HB2  ALA   8           1HB      ALA   8 -14.085   0.870   6.118
    8    HB3  ALA   8           2HB      ALA   8 -14.704   1.207   7.736
    9    H    LYS   9           H        LYS   9 -13.037   3.698   5.942
   10    HA   LYS   9           HA       LYS   9 -13.517   4.230   3.100
   11    HB2  LYS   9           2HB      LYS   9 -12.459   6.391   3.235
   12    HB3  LYS   9           1HB      LYS   9 -13.778   6.345   4.393
   13    HG2  LYS   9           2HG      LYS   9 -12.168   5.957   6.198
   14    HG3  LYS   9           1HG      LYS   9 -10.850   6.034   5.028
   15    HD2  LYS   9           2HD      LYS   9 -12.796   8.257   5.652
   16    HD3  LYS   9           1HD      LYS   9 -11.125   8.162   6.207
   17    HE2  LYS   9           2HE      LYS   9 -10.365   8.210   3.869
   18    HE3  LYS   9           1HE      LYS   9 -12.040   8.349   3.338
   19    HZ1  LYS   9           3HZ      LYS   9 -12.213  10.449   4.506
   20    HZ2  LYS   9           1HZ      LYS   9 -10.928  10.505   3.399
   21    HZ3  LYS   9           2HZ      LYS   9 -10.614  10.314   5.055
   22    H    CYS  10           H        CYS  10 -11.807   3.955   1.790
   23    HA   CYS  10           HA       CYS  10 -10.046   1.913   2.488
   24    HB2  CYS  10           2HB      CYS  10 -10.861   2.571   0.191
   25    HB3  CYS  10           1HB      CYS  10  -9.673   3.862   0.220
   26    H    GLY  11           H        GLY  11  -8.051   1.831   3.241
   27    HA2  GLY  11           2HA      GLY  11  -6.598   4.156   4.054
   28    HA3  GLY  11           1HA      GLY  11  -5.997   2.504   4.048
   29    H    ALA  12           H        ALA  12  -6.924   2.555   1.061
   30    HA   ALA  12           HA       ALA  12  -4.403   3.705   0.069
   31    HB1  ALA  12           3HB      ALA  12  -4.700   2.277  -1.886
   32    HB2  ALA  12           1HB      ALA  12  -6.234   1.698  -1.237
   33    HB3  ALA  12           2HB      ALA  12  -4.725   1.329  -0.398
   34    H    CYS  13           H        CYS  13  -7.872   3.618  -0.470
   35    HA   CYS  13           HA       CYS  13  -7.707   5.883  -2.336
   36    HB2  CYS  13           2HB      CYS  13 -10.145   4.350  -1.379
   37    HB3  CYS  13           1HB      CYS  13 -10.101   5.527  -2.680
   38    H    GLU  14           H        GLU  14  -9.604   7.547  -1.873
   39    HA   GLU  14           HA       GLU  14 -10.238   7.621   1.002
   40    HB2  GLU  14           2HB      GLU  14 -10.252   9.831  -1.050
   41    HB3  GLU  14           1HB      GLU  14 -11.145   9.961   0.460
   42    HG2  GLU  14           2HG      GLU  14  -8.800   9.275   1.473
   43    HG3  GLU  14           1HG      GLU  14  -8.224  10.000  -0.028
   44    H    LYS  15           H        LYS  15 -11.166   6.086  -1.412
   45    HA   LYS  15           HA       LYS  15 -13.970   6.702  -1.640
   46    HB2  LYS  15           2HB      LYS  15 -12.573   4.142  -2.436
   47    HB3  LYS  15           1HB      LYS  15 -14.090   4.769  -3.060
   48    HG2  LYS  15           2HG      LYS  15 -11.412   6.077  -3.477
   49    HG3  LYS  15           1HG      LYS  15 -12.174   4.975  -4.623
   50    HD2  LYS  15           2HD      LYS  15 -14.062   6.510  -4.847
   51    HD3  LYS  15           1HD      LYS  15 -13.319   7.602  -3.675
   52    HE2  LYS  15           2HE      LYS  15 -12.935   8.324  -5.996
   53    HE3  LYS  15           1HE      LYS  15 -11.435   7.961  -5.150
   54    HZ1  LYS  15           3HZ      LYS  15 -12.826   6.187  -7.088
   55    HZ2  LYS  15           1HZ      LYS  15 -11.408   5.788  -6.243
   56    HZ3  LYS  15           2HZ      LYS  15 -11.393   7.053  -7.371
   57    H    THR  16           H        THR  16 -15.519   4.818  -1.161
   58    HA   THR  16           HA       THR  16 -15.217   4.237   1.634
   59    HB   THR  16           HB       THR  16 -17.481   2.985   1.042
   60    HG1  THR  16           HG1      THR  16 -18.071   3.322  -0.949
   61   HG21  THR  16          3HG2      THR  16 -17.180   5.988   1.178
   62   HG22  THR  16          1HG2      THR  16 -17.292   4.894   2.556
   63   HG23  THR  16          2HG2      THR  16 -18.673   5.099   1.478
   64    H    VAL  17           H        VAL  17 -14.937   2.366   2.619
   65    HA   VAL  17           HA       VAL  17 -14.489  -0.032   0.966
   66    HB   VAL  17           HB       VAL  17 -13.235   0.872   3.546
   67   HG11  VAL  17          1HG1      VAL  17 -13.991  -1.416   3.959
   68   HG12  VAL  17          2HG1      VAL  17 -12.235  -1.353   3.804
   69   HG13  VAL  17          3HG1      VAL  17 -13.218  -1.946   2.466
   70   HG21  VAL  17          3HG2      VAL  17 -11.174   0.283   2.363
   71   HG22  VAL  17          1HG2      VAL  17 -12.132   1.476   1.483
   72   HG23  VAL  17          2HG2      VAL  17 -12.136  -0.211   0.968
   73    H    TYR  18           H        TYR  18 -15.765  -1.732   1.268
   74    HA   TYR  18           HA       TYR  18 -17.443  -1.811   3.694
   75    HD1  TYR  18           HD1      TYR  18 -20.174  -0.759   3.295
   76    HD2  TYR  18           HD2      TYR  18 -17.999  -0.819  -0.361
   77    HE1  TYR  18           HE1      TYR  18 -21.105   1.443   2.709
   78    HE2  TYR  18           HE2      TYR  18 -18.922   1.380  -0.953
   79    HH   TYR  18           HH       TYR  18 -20.634   3.332   1.301
   80    HB2  TYR  18           2HB      TYR  18 -18.222  -2.809   0.937
   81    HB3  TYR  18           1HB      TYR  18 -19.221  -2.852   2.384
   82    H    HIS  19           H        HIS  19 -18.022  -4.047   4.323
   83    HA   HIS  19           HA       HIS  19 -15.791  -5.727   4.364
   84    HD1  HIS  19           HD1      HIS  19 -19.605  -4.845   6.372
   85    HD2  HIS  19           HD2      HIS  19 -19.646  -7.982   3.636
   86    HE1  HIS  19           HE1      HIS  19 -22.031  -5.227   5.810
   87    HE2  HIS  19           HE2      HIS  19 -22.041  -7.272   4.335
   88    HB2  HIS  19           2HB      HIS  19 -17.321  -7.476   5.283
   89    HB3  HIS  19           1HB      HIS  19 -17.378  -5.937   6.129
   90    H    ALA  20           H        ALA  20 -18.033  -5.262   1.888
   91    HA   ALA  20           HA       ALA  20 -18.008  -7.586   0.410
   92    HB1  ALA  20           3HB      ALA  20 -19.143  -5.528  -0.275
   93    HB2  ALA  20           1HB      ALA  20 -18.108  -6.143  -1.565
   94    HB3  ALA  20           2HB      ALA  20 -17.580  -4.769  -0.589
   95    H    GLU  21           H        GLU  21 -15.481  -5.070   0.554
   96    HA   GLU  21           HA       GLU  21 -13.528  -7.119  -0.140
   97    HB2  GLU  21           2HB      GLU  21 -12.455  -5.822  -1.834
   98    HB3  GLU  21           1HB      GLU  21 -14.144  -5.975  -2.259
   99    HG2  GLU  21           2HG      GLU  21 -14.511  -3.654  -1.460
  100    HG3  GLU  21           1HG      GLU  21 -12.785  -3.549  -1.118
  101    H    GLU  22           H        GLU  22 -13.989  -6.200   2.342
  102    HA   GLU  22           HA       GLU  22 -12.070  -4.075   2.905
  103    HB2  GLU  22           2HB      GLU  22 -14.217  -3.923   4.016
  104    HB3  GLU  22           1HB      GLU  22 -14.022  -5.538   4.685
  105    HG2  GLU  22           2HG      GLU  22 -12.077  -4.745   5.967
  106    HG3  GLU  22           1HG      GLU  22 -12.356  -3.119   5.336
  107    H    ILE  23           H        ILE  23 -10.035  -4.587   3.296
  108    HA   ILE  23           HA       ILE  23  -9.531  -7.011   4.888
  109    HB   ILE  23           HB       ILE  23  -7.730  -5.681   2.852
  110   HG12  ILE  23          2HG1      ILE  23  -8.583  -8.563   2.952
  111   HG13  ILE  23          1HG1      ILE  23  -9.580  -7.347   2.156
  112   HG21  ILE  23          1HG2      ILE  23  -7.107  -7.912   4.790
  113   HG22  ILE  23          2HG2      ILE  23  -6.370  -6.309   4.749
  114   HG23  ILE  23          3HG2      ILE  23  -6.086  -7.445   3.430
  115   HD11  ILE  23          3HD1      ILE  23  -7.725  -6.836   0.654
  116   HD12  ILE  23          1HD1      ILE  23  -8.182  -8.538   0.571
  117   HD13  ILE  23          2HD1      ILE  23  -6.741  -8.055   1.464
  118    H    GLN  24           H        GLN  24  -9.002  -6.585   6.906
  119    HA   GLN  24           HA       GLN  24  -8.020  -3.973   7.677
  120    HB2  GLN  24           2HB      GLN  24  -8.508  -6.479   9.298
  121    HB3  GLN  24           1HB      GLN  24  -8.020  -4.930   9.969
  122    HG2  GLN  24           2HG      GLN  24 -10.580  -5.456   8.479
  123    HG3  GLN  24           1HG      GLN  24 -10.410  -5.342  10.230
  124   HE21  GLN  24          1HE2      GLN  24 -10.499  -3.591   7.245
  125   HE22  GLN  24          2HE2      GLN  24 -10.590  -2.006   7.939
  126    H    CYS  25           H        CYS  25  -5.966  -3.628   7.045
  127    HA   CYS  25           HA       CYS  25  -3.978  -5.693   7.689
  128    HG   CYS  25           HG       CYS  25  -1.547  -5.759   6.778
  129    HB2  CYS  25           2HB      CYS  25  -4.038  -4.836   5.340
  130    HB3  CYS  25           1HB      CYS  25  -3.640  -3.235   5.953
  131    H    ASN  26           H        ASN  26  -3.293  -5.447   9.690
  132    HA   ASN  26           HA       ASN  26  -2.181  -4.616  11.473
  133    HB2  ASN  26           2HB      ASN  26  -0.677  -3.517   9.863
  134    HB3  ASN  26           1HB      ASN  26  -1.756  -2.128   9.807
  135   HD21  ASN  26          1HD2      ASN  26  -1.720  -0.657  11.438
  136   HD22  ASN  26          2HD2      ASN  26  -0.543  -0.665  12.698
  137    H    GLY  27           H        GLY  27  -4.098  -1.952  10.046
  138    HA2  GLY  27           2HA      GLY  27  -6.049  -2.056  12.091
  139    HA3  GLY  27           1HA      GLY  27  -4.895  -0.784  12.458
  140    H    ARG  28           H        ARG  28  -5.526  -1.468   9.116
  141    HA   ARG  28           HA       ARG  28  -7.296   0.880   8.973
  142    HE   ARG  28           HE       ARG  28  -5.112   3.682   6.743
  143    HB2  ARG  28           2HB      ARG  28  -4.971   0.285   7.131
  144    HB3  ARG  28           1HB      ARG  28  -6.118   1.600   6.925
  145    HG2  ARG  28           2HG      ARG  28  -5.354   2.642   8.955
  146    HG3  ARG  28           1HG      ARG  28  -4.295   1.274   9.298
  147    HD2  ARG  28           2HD      ARG  28  -2.959   3.031   8.383
  148    HD3  ARG  28           1HD      ARG  28  -3.090   1.756   7.177
  149   HH11  ARG  28          1HH1      ARG  28  -1.652   3.215   6.417
  150   HH12  ARG  28          2HH1      ARG  28  -1.462   4.431   5.196
  151   HH21  ARG  28          1HH2      ARG  28  -4.872   5.284   5.121
  152   HH22  ARG  28          2HH2      ARG  28  -3.308   5.591   4.438
  153    H    SER  29           H        SER  29  -8.698   0.934   7.144
  154    HA   SER  29           HA       SER  29  -9.428  -1.753   6.271
  155    HG   SER  29           HG       SER  29 -12.239  -0.545   7.638
  156    HB2  SER  29           2HB      SER  29 -10.931   0.865   6.011
  157    HB3  SER  29           1HB      SER  29 -11.564  -0.734   5.616
  158    H    PHE  30           H        PHE  30  -8.359  -2.374   4.494
  159    HA   PHE  30           HA       PHE  30  -8.067  -0.439   2.287
  160    HD1  PHE  30           HD1      PHE  30  -5.442   0.337   1.800
  161    HD2  PHE  30           HD2      PHE  30  -5.526  -2.607   4.868
  162    HE1  PHE  30           HE1      PHE  30  -3.779   1.624   3.075
  163    HE2  PHE  30           HE2      PHE  30  -3.864  -1.323   6.149
  164    HZ   PHE  30           HZ       PHE  30  -2.978   0.786   5.246
  165    HB2  PHE  30           2HB      PHE  30  -6.584  -3.026   2.820
  166    HB3  PHE  30           1HB      PHE  30  -6.325  -1.982   1.428
  167    H    HIS  31           H        HIS  31  -8.733  -0.988   0.217
  168    HA   HIS  31           HA       HIS  31 -10.820  -2.886  -0.102
  169    HD2  HIS  31           HD2      HIS  31 -12.786  -1.742  -0.622
  170    HE1  HIS  31           HE1      HIS  31 -12.388   2.079  -2.344
  171    HE2  HIS  31           HE2      HIS  31 -13.844   0.602  -0.927
  172    HB2  HIS  31           2HB      HIS  31  -9.164  -1.304  -2.063
  173    HB3  HIS  31           1HB      HIS  31 -10.324  -2.508  -2.617
  174    H    LYS  32           H        LYS  32 -10.824  -4.877  -1.142
  175    HA   LYS  32           HA       LYS  32  -8.546  -6.510  -1.108
  176    HB2  LYS  32           2HB      LYS  32 -10.775  -7.469  -1.167
  177    HB3  LYS  32           1HB      LYS  32 -11.104  -6.716  -2.717
  178    HG2  LYS  32           2HG      LYS  32  -8.826  -8.619  -2.513
  179    HG3  LYS  32           1HG      LYS  32 -10.472  -9.254  -2.543
  180    HD2  LYS  32           2HD      LYS  32 -10.901  -8.132  -4.647
  181    HD3  LYS  32           1HD      LYS  32  -9.302  -7.384  -4.604
  182    HE2  LYS  32           2HE      LYS  32  -8.255  -9.562  -4.766
  183    HE3  LYS  32           1HE      LYS  32  -9.832 -10.348  -4.720
  184    HZ1  LYS  32           3HZ      LYS  32  -8.922  -8.475  -6.845
  185    HZ2  LYS  32           1HZ      LYS  32 -10.399  -9.310  -6.806
  186    HZ3  LYS  32           2HZ      LYS  32  -8.943 -10.166  -6.977
  187    H    THR  33           H        THR  33  -9.930  -4.396  -3.515
  188    HA   THR  33           HA       THR  33  -8.183  -5.027  -5.654
  189    HB   THR  33           HB       THR  33  -9.538  -2.372  -5.154
  190    HG1  THR  33           HG1      THR  33 -11.251  -3.686  -5.070
  191   HG21  THR  33          3HG2      THR  33  -9.630  -2.278  -7.610
  192   HG22  THR  33          1HG2      THR  33  -8.776  -3.818  -7.697
  193   HG23  THR  33          2HG2      THR  33  -7.970  -2.400  -7.027
  194    H    CYS  34           H        CYS  34  -7.815  -3.225  -2.757
  195    HA   CYS  34           HA       CYS  34  -5.480  -1.800  -3.811
  196    HB2  CYS  34           2HB      CYS  34  -7.241  -1.198  -1.426
  197    HB3  CYS  34           1HB      CYS  34  -5.828  -0.252  -1.902
  198    H    PHE  35           H        PHE  35  -5.930  -4.611  -2.444
  199    HA   PHE  35           HA       PHE  35  -4.071  -4.342  -0.237
  200    HD1  PHE  35           HD2      PHE  35  -4.811  -5.341   2.004
  201    HD2  PHE  35           HD1      PHE  35  -3.702  -8.523  -0.589
  202    HE1  PHE  35           HE2      PHE  35  -3.604  -6.426   3.854
  203    HE2  PHE  35           HE1      PHE  35  -2.497  -9.611   1.251
  204    HZ   PHE  35           HZ       PHE  35  -2.487  -8.516   3.522
  205    HB2  PHE  35           2HB      PHE  35  -6.051  -5.929  -0.211
  206    HB3  PHE  35           1HB      PHE  35  -5.154  -6.923  -1.359
  207    H    HIS  36           H        HIS  36  -2.458  -3.463  -1.722
  208    HA   HIS  36           HA       HIS  36  -0.509  -5.467  -2.205
  209    HD1  HIS  36           HD1      HIS  36  -3.695  -4.654  -5.170
  210    HD2  HIS  36           HD2      HIS  36  -0.354  -2.191  -5.296
  211    HE1  HIS  36           HE1      HIS  36  -4.373  -2.666  -6.533
  212    HE2  HIS  36           HE2      HIS  36  -2.297  -1.260  -6.737
  213    HB2  HIS  36           2HB      HIS  36  -0.096  -4.962  -4.600
  214    HB3  HIS  36           1HB      HIS  36  -1.626  -5.776  -4.320
  215    H    CYS  37           H        CYS  37   1.443  -4.209  -3.459
  216    HA   CYS  37           HA       CYS  37   2.355  -2.582  -1.382
  217    HB2  CYS  37           2HB      CYS  37   3.743  -3.921  -3.013
  218    HB3  CYS  37           1HB      CYS  37   3.470  -2.635  -4.185
  219    H    MET  38           H        MET  38   2.141  -0.527  -0.955
  220    HA   MET  38           HA       MET  38   0.571   1.190  -2.615
  221    HB2  MET  38           2HB      MET  38   2.195   1.806  -0.143
  222    HB3  MET  38           1HB      MET  38   1.043   2.901  -0.896
  223    HG2  MET  38           2HG      MET  38   0.400   0.211   0.281
  224    HG3  MET  38           1HG      MET  38   0.096   1.771   1.042
  225    HE1  MET  38           3HE      MET  38  -2.434   0.643   1.310
  226    HE2  MET  38           1HE      MET  38  -1.943  -0.732   0.321
  227    HE3  MET  38           2HE      MET  38  -3.401   0.173  -0.087
  228    H    ALA  39           H        ALA  39   3.815   0.344  -2.686
  229    HA   ALA  39           HA       ALA  39   4.648   2.943  -3.765
  230    HB1  ALA  39           3HB      ALA  39   6.352   0.581  -2.990
  231    HB2  ALA  39           1HB      ALA  39   6.032   1.992  -1.982
  232    HB3  ALA  39           2HB      ALA  39   6.927   2.171  -3.490
  233    H    CYS  40           H        CYS  40   5.615  -0.399  -4.569
  234    HA   CYS  40           HA       CYS  40   5.929   0.423  -7.330
  235    HB2  CYS  40           2HB      CYS  40   7.015  -1.707  -7.673
  236    HB3  CYS  40           1HB      CYS  40   7.646  -0.975  -6.203
  237    H    ARG  41           H        ARG  41   3.543  -0.904  -5.434
  238    HA   ARG  41           HA       ARG  41   1.445  -1.604  -5.839
  239    HE   ARG  41           HE       ARG  41   0.835   2.669  -6.504
  240    HB2  ARG  41           2HB      ARG  41   2.106  -1.146  -8.750
  241    HB3  ARG  41           1HB      ARG  41   0.504  -1.528  -8.132
  242    HG2  ARG  41           2HG      ARG  41   2.128   0.913  -7.446
  243    HG3  ARG  41           1HG      ARG  41   0.753   0.855  -8.550
  244    HD2  ARG  41           2HD      ARG  41  -0.740   0.300  -6.767
  245    HD3  ARG  41           1HD      ARG  41   0.600   0.081  -5.644
  246   HH11  ARG  41          1HH1      ARG  41  -1.745   0.828  -4.986
  247   HH12  ARG  41          2HH1      ARG  41  -2.361   2.191  -4.107
  248   HH21  ARG  41          1HH2      ARG  41   0.010   4.440  -5.384
  249   HH22  ARG  41          2HH2      ARG  41  -1.374   4.254  -4.347
  250    H    LYS  42           H        LYS  42   3.989  -3.323  -6.097
  251    HA   LYS  42           HA       LYS  42   3.431  -5.663  -7.486
  252    HB2  LYS  42           2HB      LYS  42   5.531  -5.231  -6.262
  253    HB3  LYS  42           1HB      LYS  42   4.668  -5.352  -4.739
  254    HG2  LYS  42           2HG      LYS  42   5.829  -7.384  -5.052
  255    HG3  LYS  42           1HG      LYS  42   4.121  -7.723  -5.344
  256    HD2  LYS  42           2HD      LYS  42   4.479  -7.658  -7.737
  257    HD3  LYS  42           1HD      LYS  42   6.161  -7.178  -7.504
  258    HE2  LYS  42           2HE      LYS  42   4.947  -9.779  -6.587
  259    HE3  LYS  42           1HE      LYS  42   5.936  -9.570  -8.031
  260    HZ1  LYS  42           3HZ      LYS  42   7.794  -8.921  -6.642
  261    HZ2  LYS  42           1HZ      LYS  42   7.211 -10.436  -6.146
  262    HZ3  LYS  42           2HZ      LYS  42   6.841  -9.051  -5.244
  263    H    ALA  43           H        ALA  43   1.936  -7.253  -7.238
  264    HA   ALA  43           HA       ALA  43  -0.194  -6.945  -5.376
  265    HB1  ALA  43           3HB      ALA  43  -0.980  -9.115  -6.228
  266    HB2  ALA  43           1HB      ALA  43   0.551  -9.332  -7.076
  267    HB3  ALA  43           2HB      ALA  43  -0.533  -8.019  -7.536
  268    H    LEU  44           H        LEU  44  -0.288  -7.569  -3.305
  269    HA   LEU  44           HA       LEU  44   1.887  -9.217  -2.247
  270    HG   LEU  44           HG       LEU  44   2.104  -6.497   0.190
  271    HB2  LEU  44           2HB      LEU  44   0.108  -7.128  -1.109
  272    HB3  LEU  44           1HB      LEU  44   0.642  -8.399  -0.026
  273   HD11  LEU  44          1HD1      LEU  44   4.263  -7.539  -0.341
  274   HD12  LEU  44          2HD1      LEU  44   3.436  -8.727  -1.347
  275   HD13  LEU  44          3HD1      LEU  44   3.144  -8.687   0.392
  276   HD21  LEU  44          3HD2      LEU  44   2.569  -6.768  -2.769
  277   HD22  LEU  44          1HD2      LEU  44   3.468  -5.709  -1.681
  278   HD23  LEU  44          2HD2      LEU  44   1.745  -5.448  -1.939
  279    H    ASP  45           H        ASP  45   1.501 -10.878  -0.751
  280    HA   ASP  45           HA       ASP  45  -1.198 -12.049  -0.850
  281    HB2  ASP  45           2HB      ASP  45   1.463 -13.376  -0.244
  282    HB3  ASP  45           1HB      ASP  45  -0.100 -14.177  -0.149
  283    H    SER  46           H        SER  46  -1.584 -13.391   1.295
  284    HA   SER  46           HA       SER  46  -1.823 -11.528   3.355
  285    HG   SER  46           HG       SER  46  -3.335 -14.114   2.127
  286    HB2  SER  46           2HB      SER  46  -1.814 -14.540   3.629
  287    HB3  SER  46           1HB      SER  46  -2.556 -13.388   4.738
  288    H    THR  47           H        THR  47   0.769 -13.771   2.661
  289    HA   THR  47           HA       THR  47   1.970 -13.380   5.281
  290    HB   THR  47           HB       THR  47   3.718 -14.988   4.225
  291    HG1  THR  47           HG1      THR  47   1.578 -15.814   2.602
  292   HG21  THR  47          3HG2      THR  47   2.310 -16.920   4.797
  293   HG22  THR  47          1HG2      THR  47   0.886 -15.881   4.786
  294   HG23  THR  47          2HG2      THR  47   2.151 -15.628   5.989
  295    H    THR  48           H        THR  48   2.427 -12.244   2.007
  296    HA   THR  48           HA       THR  48   5.229 -11.679   2.473
  297    HB   THR  48           HB       THR  48   5.128 -10.803   0.083
  298    HG1  THR  48           HG1      THR  48   3.295 -11.458  -1.106
  299   HG21  THR  48          3HG2      THR  48   6.023 -12.998   0.658
  300   HG22  THR  48          1HG2      THR  48   5.123 -13.067  -0.856
  301   HG23  THR  48          2HG2      THR  48   4.396 -13.678   0.629
  302    H    VAL  49           H        VAL  49   2.247  -9.960   2.629
  303    HA   VAL  49           HA       VAL  49   3.231  -7.367   2.072
  304    HB   VAL  49           HB       VAL  49   0.911  -7.512   1.968
  305   HG11  VAL  49          1HG1      VAL  49  -0.524  -8.354   3.773
  306   HG12  VAL  49          2HG1      VAL  49   0.901  -8.682   4.758
  307   HG13  VAL  49          3HG1      VAL  49   0.637  -9.581   3.264
  308   HG21  VAL  49          3HG2      VAL  49   0.056  -5.971   3.674
  309   HG22  VAL  49          1HG2      VAL  49   1.611  -5.449   3.026
  310   HG23  VAL  49          2HG2      VAL  49   1.530  -6.211   4.613
  311    H    ALA  50           H        ALA  50   4.432  -6.040   3.207
  312    HA   ALA  50           HA       ALA  50   4.867  -6.613   6.059
  313    HB1  ALA  50           3HB      ALA  50   6.883  -6.639   4.646
  314    HB2  ALA  50           1HB      ALA  50   6.935  -5.349   5.847
  315    HB3  ALA  50           2HB      ALA  50   6.554  -4.974   4.167
  316    H    ALA  51           H        ALA  51   3.479  -5.450   7.232
  317    HA   ALA  51           HA       ALA  51   2.939  -2.674   6.437
  318    HB1  ALA  51           3HB      ALA  51   1.374  -4.437   8.322
  319    HB2  ALA  51           1HB      ALA  51   0.970  -4.136   6.632
  320    HB3  ALA  51           2HB      ALA  51   0.931  -2.812   7.797
  321    H    HIS  52           H        HIS  52   4.352  -1.365   7.396
  322    HA   HIS  52           HA       HIS  52   5.037  -1.872  10.214
  323    HD1  HIS  52           HD1      HIS  52   7.806  -2.358  11.007
  324    HD2  HIS  52           HD2      HIS  52   7.555   1.684  10.056
  325    HE1  HIS  52           HE1      HIS  52   9.180  -1.166  12.742
  326    HE2  HIS  52           HE2      HIS  52   8.804   1.287  12.288
  327    HB2  HIS  52           2HB      HIS  52   6.930  -1.790   8.555
  328    HB3  HIS  52           1HB      HIS  52   6.518  -0.105   8.252
  329    H    GLU  53           H        GLU  53   4.291  -0.567  11.687
  330    HA   GLU  53           HA       GLU  53   3.288   1.139  12.771
  331    HB2  GLU  53           2HB      GLU  53   3.998   2.873  10.400
  332    HB3  GLU  53           1HB      GLU  53   3.539   3.427  12.002
  333    HG2  GLU  53           2HG      GLU  53   6.051   1.978  11.223
  334    HG3  GLU  53           1HG      GLU  53   5.901   3.648  11.760
  335    H    SER  54           H        SER  54   2.494   2.007   9.398
  336    HA   SER  54           HA       SER  54  -0.253   1.168   9.798
  337    HG   SER  54           HG       SER  54   0.548   4.462   8.267
  338    HB2  SER  54           2HB      SER  54  -1.149   3.418   9.193
  339    HB3  SER  54           1HB      SER  54  -0.317   3.400  10.749
  340    H    GLU  55           H        GLU  55   2.374   1.357   7.847
  341    HA   GLU  55           HA       GLU  55   0.785   1.719   5.394
  342    HB2  GLU  55           2HB      GLU  55   3.774   2.051   5.703
  343    HB3  GLU  55           1HB      GLU  55   2.824   2.395   4.266
  344    HG2  GLU  55           2HG      GLU  55   2.849   3.884   6.868
  345    HG3  GLU  55           1HG      GLU  55   3.305   4.468   5.269
  346    H    ILE  56           H        ILE  56   0.869   0.230   3.794
  347    HA   ILE  56           HA       ILE  56   2.212  -2.311   4.458
  348    HB   ILE  56           HB       ILE  56   0.132  -3.148   4.322
  349   HG12  ILE  56          2HG1      ILE  56   0.497  -2.608   1.364
  350   HG13  ILE  56          1HG1      ILE  56   1.055  -4.030   2.240
  351   HG21  ILE  56          1HG2      ILE  56  -0.883  -0.955   4.457
  352   HG22  ILE  56          2HG2      ILE  56  -1.796  -1.999   3.368
  353   HG23  ILE  56          3HG2      ILE  56  -0.730  -0.757   2.710
  354   HD11  ILE  56          3HD1      ILE  56  -1.818  -3.226   1.817
  355   HD12  ILE  56          1HD1      ILE  56  -1.265  -4.655   2.689
  356   HD13  ILE  56          2HD1      ILE  56  -0.956  -4.504   0.960
  357    H    TYR  57           H        TYR  57   3.746  -3.041   3.148
  358    HA   TYR  57           HA       TYR  57   3.707  -2.266   0.324
  359    HD1  TYR  57           HD1      TYR  57   4.925   0.230  -0.476
  360    HD2  TYR  57           HD2      TYR  57   5.774  -0.479   3.628
  361    HE1  TYR  57           HE1      TYR  57   4.549   2.606   0.001
  362    HE2  TYR  57           HE2      TYR  57   5.412   1.906   4.118
  363    HH   TYR  57           HH       TYR  57   5.447   4.083   2.916
  364    HB2  TYR  57           2HB      TYR  57   6.220  -2.155   2.013
  365    HB3  TYR  57           1HB      TYR  57   6.109  -1.822   0.294
  366    H    CYS  58           H        CYS  58   5.438  -3.528  -0.887
  367    HA   CYS  58           HA       CYS  58   5.276  -6.315  -0.228
  368    HB2  CYS  58           2HB      CYS  58   6.466  -6.677  -2.279
  369    HB3  CYS  58           1HB      CYS  58   5.345  -5.353  -2.577
  370    H    LYS  59           H        LYS  59   7.550  -7.534  -0.434
  371    HA   LYS  59           HA       LYS  59   9.136  -6.566   1.767
  372    HB2  LYS  59           2HB      LYS  59   9.398  -9.005   0.008
  373    HB3  LYS  59           1HB      LYS  59  10.516  -8.627   1.311
  374    HG2  LYS  59           2HG      LYS  59   8.622  -8.690   2.897
  375    HG3  LYS  59           1HG      LYS  59   7.572  -9.189   1.567
  376    HD2  LYS  59           2HD      LYS  59   8.875 -11.197   1.240
  377    HD3  LYS  59           1HD      LYS  59  10.037 -10.677   2.459
  378    HE2  LYS  59           2HE      LYS  59   8.217 -10.733   4.143
  379    HE3  LYS  59           1HE      LYS  59   7.144 -11.381   2.904
  380    HZ1  LYS  59           3HZ      LYS  59   8.154 -13.091   4.366
  381    HZ2  LYS  59           1HZ      LYS  59   9.675 -12.679   3.749
  382    HZ3  LYS  59           2HZ      LYS  59   8.493 -13.331   2.721
  383    H    VAL  60           H        VAL  60   9.120  -6.015  -1.534
  384    HA   VAL  60           HA       VAL  60  11.978  -5.825  -1.910
  385    HB   VAL  60           HB       VAL  60   9.781  -4.751  -3.689
  386   HG11  VAL  60          1HG1      VAL  60  11.975  -3.769  -4.114
  387   HG12  VAL  60          2HG1      VAL  60  11.471  -4.813  -5.444
  388   HG13  VAL  60          3HG1      VAL  60  12.669  -5.381  -4.281
  389   HG21  VAL  60          3HG2      VAL  60   9.525  -7.157  -3.354
  390   HG22  VAL  60          1HG2      VAL  60  11.208  -7.408  -3.812
  391   HG23  VAL  60          2HG2      VAL  60  10.052  -6.798  -5.000
  392    H    CYS  61           H        CYS  61   9.283  -3.492  -1.801
  393    HA   CYS  61           HA       CYS  61  11.013  -1.227  -1.753
  394    HB2  CYS  61           2HB      CYS  61   8.106  -1.431  -0.960
  395    HB3  CYS  61           1HB      CYS  61   8.988   0.064  -1.261
  396    H    TYR  62           H        TYR  62   9.474  -3.205   0.697
  397    HA   TYR  62           HA       TYR  62  10.090  -1.588   2.924
  398    HD1  TYR  62           HD1      TYR  62  11.347  -4.608   5.001
  399    HD2  TYR  62           HD2      TYR  62   7.698  -2.432   4.745
  400    HE1  TYR  62           HE1      TYR  62  11.297  -4.416   7.449
  401    HE2  TYR  62           HE2      TYR  62   7.643  -2.231   7.196
  402    HH   TYR  62           HH       TYR  62   8.550  -3.398   9.171
  403    HB2  TYR  62           2HB      TYR  62   8.557  -3.636   2.829
  404    HB3  TYR  62           1HB      TYR  62  10.020  -4.607   2.947
  405    H    GLY  63           H        GLY  63  11.848  -4.203   1.306
  406    HA2  GLY  63           2HA      GLY  63  14.124  -4.059   3.024
  407    HA3  GLY  63           1HA      GLY  63  14.034  -4.897   1.482
  408    H    ARG  64           H        ARG  64  13.049  -2.109   0.450
  409    HA   ARG  64           HA       ARG  64  15.694  -1.155  -0.258
  410    HE   ARG  64           HE       ARG  64  12.709  -0.075  -3.721
  411    HB2  ARG  64           2HB      ARG  64  13.872  -1.227  -1.952
  412    HB3  ARG  64           1HB      ARG  64  12.986  -0.029  -1.013
  413    HG2  ARG  64           2HG      ARG  64  15.143   1.391  -1.268
  414    HG3  ARG  64           1HG      ARG  64  15.494   0.293  -2.601
  415    HD2  ARG  64           2HD      ARG  64  12.999   1.960  -2.302
  416    HD3  ARG  64           1HD      ARG  64  14.367   2.343  -3.342
  417   HH11  ARG  64          1HH1      ARG  64  14.447   2.694  -4.976
  418   HH12  ARG  64          2HH1      ARG  64  13.926   2.436  -6.616
  419   HH21  ARG  64          1HH2      ARG  64  12.055  -0.444  -5.866
  420   HH22  ARG  64          2HH2      ARG  64  12.600   0.619  -7.134
  421    H    ARG  65           H        ARG  65  12.785   0.192   1.302
  422    HA   ARG  65           HA       ARG  65  14.046   2.695   1.863
  423    HE   ARG  65           HE       ARG  65  10.354   4.306   1.242
  424    HB2  ARG  65           2HB      ARG  65  11.598   2.417   1.498
  425    HB3  ARG  65           1HB      ARG  65  11.497   1.554   3.026
  426    HG2  ARG  65           2HG      ARG  65  12.256   3.550   4.208
  427    HG3  ARG  65           1HG      ARG  65  12.368   4.417   2.676
  428    HD2  ARG  65           2HD      ARG  65   9.848   3.231   3.836
  429    HD3  ARG  65           1HD      ARG  65  10.301   4.932   3.913
  430   HH11  ARG  65          1HH1      ARG  65   7.961   4.211   3.811
  431   HH12  ARG  65          2HH1      ARG  65   6.610   4.416   2.730
  432   HH21  ARG  65          1HH2      ARG  65   8.576   4.622  -0.165
  433   HH22  ARG  65          2HH2      ARG  65   6.961   4.692   0.477
  434    H    TYR  66           H        TYR  66  13.666  -0.299   3.628
  435    HA   TYR  66           HA       TYR  66  14.626   1.006   6.077
  436    HD1  TYR  66           HD1      TYR  66  11.450  -0.359   4.584
  437    HD2  TYR  66           HD2      TYR  66  12.671   0.171   8.625
  438    HE1  TYR  66           HE1      TYR  66   9.295   0.707   5.088
  439    HE2  TYR  66           HE2      TYR  66  10.519   1.246   9.138
  440    HH   TYR  66           HH       TYR  66   7.878   1.221   6.899
  441    HB2  TYR  66           2HB      TYR  66  13.339  -1.692   5.636
  442    HB3  TYR  66           1HB      TYR  66  13.979  -1.156   7.185
  Start of MODEL   14
    1    H1   GLY   7           1H       GLY   7 -20.446   2.023   7.220
    2    HA2  GLY   7           2HA      GLY   7 -19.083   0.054   6.061
    3    HA3  GLY   7           1HA      GLY   7 -19.169   1.208   4.737
    4    H    ALA   8           H        ALA   8 -16.754   0.847   5.163
    5    HA   ALA   8           HA       ALA   8 -15.798   2.853   7.108
    6    HB1  ALA   8           3HB      ALA   8 -14.329   0.475   5.956
    7    HB2  ALA   8           1HB      ALA   8 -15.004   0.579   7.583
    8    HB3  ALA   8           2HB      ALA   8 -13.672   1.636   7.111
    9    H    LYS   9           H        LYS   9 -13.270   3.269   6.093
   10    HA   LYS   9           HA       LYS   9 -13.783   4.195   3.354
   11    HB2  LYS   9           2HB      LYS   9 -12.492   6.199   3.780
   12    HB3  LYS   9           1HB      LYS   9 -13.775   6.092   4.975
   13    HG2  LYS   9           2HG      LYS   9 -12.234   5.370   6.661
   14    HG3  LYS   9           1HG      LYS   9 -10.936   5.230   5.472
   15    HD2  LYS   9           2HD      LYS   9 -12.336   7.788   6.236
   16    HD3  LYS   9           1HD      LYS   9 -10.756   7.278   6.826
   17    HE2  LYS   9           2HE      LYS   9 -11.483   7.839   3.948
   18    HE3  LYS   9           1HE      LYS   9 -10.546   8.891   5.006
   19    HZ1  LYS   9           3HZ      LYS   9  -9.754   6.227   3.959
   20    HZ2  LYS   9           1HZ      LYS   9  -8.915   7.017   5.203
   21    HZ3  LYS   9           2HZ      LYS   9  -9.016   7.719   3.662
   22    H    CYS  10           H        CYS  10 -12.190   3.804   1.905
   23    HA   CYS  10           HA       CYS  10 -10.219   1.878   2.464
   24    HB2  CYS  10           2HB      CYS  10 -11.143   2.478   0.191
   25    HB3  CYS  10           1HB      CYS  10 -10.130   3.916   0.233
   26    H    GLY  11           H        GLY  11  -8.229   2.027   3.250
   27    HA2  GLY  11           2HA      GLY  11  -7.170   4.472   4.248
   28    HA3  GLY  11           1HA      GLY  11  -6.324   2.933   4.159
   29    H    ALA  12           H        ALA  12  -7.113   3.040   1.145
   30    HA   ALA  12           HA       ALA  12  -4.760   4.614   0.361
   31    HB1  ALA  12           3HB      ALA  12  -4.746   2.243  -0.283
   32    HB2  ALA  12           1HB      ALA  12  -4.764   3.301  -1.695
   33    HB3  ALA  12           2HB      ALA  12  -6.241   2.485  -1.185
   34    H    CYS  13           H        CYS  13  -8.097   3.932  -0.644
   35    HA   CYS  13           HA       CYS  13  -8.146   6.267  -2.372
   36    HB2  CYS  13           2HB      CYS  13 -10.423   4.434  -1.587
   37    HB3  CYS  13           1HB      CYS  13 -10.400   5.572  -2.928
   38    H    GLU  14           H        GLU  14 -10.184   7.665  -2.153
   39    HA   GLU  14           HA       GLU  14 -10.847   8.140   0.678
   40    HB2  GLU  14           2HB      GLU  14 -11.241   9.889  -1.765
   41    HB3  GLU  14           1HB      GLU  14 -11.824  10.289  -0.156
   42    HG2  GLU  14           2HG      GLU  14  -9.598  10.436   0.689
   43    HG3  GLU  14           1HG      GLU  14  -8.932   9.818  -0.821
   44    H    LYS  15           H        LYS  15 -11.675   5.981  -1.071
   45    HA   LYS  15           HA       LYS  15 -14.520   6.479  -1.523
   46    HB2  LYS  15           2HB      LYS  15 -12.795   4.119  -2.308
   47    HB3  LYS  15           1HB      LYS  15 -14.474   4.364  -2.771
   48    HG2  LYS  15           2HG      LYS  15 -13.889   6.278  -4.096
   49    HG3  LYS  15           1HG      LYS  15 -12.220   6.207  -3.530
   50    HD2  LYS  15           2HD      LYS  15 -11.943   4.029  -4.597
   51    HD3  LYS  15           1HD      LYS  15 -13.619   4.075  -5.145
   52    HE2  LYS  15           2HE      LYS  15 -11.507   6.088  -5.903
   53    HE3  LYS  15           1HE      LYS  15 -11.982   4.710  -6.895
   54    HZ1  LYS  15           3HZ      LYS  15 -14.159   5.593  -7.128
   55    HZ2  LYS  15           1HZ      LYS  15 -13.074   6.837  -7.503
   56    HZ3  LYS  15           2HZ      LYS  15 -13.863   6.825  -6.004
   57    H    THR  16           H        THR  16 -15.958   4.604  -0.983
   58    HA   THR  16           HA       THR  16 -15.602   3.997   1.808
   59    HB   THR  16           HB       THR  16 -17.873   3.181   0.037
   60    HG1  THR  16           HG1      THR  16 -17.487   5.483  -0.044
   61   HG21  THR  16          3HG2      THR  16 -17.720   3.677   3.008
   62   HG22  THR  16          1HG2      THR  16 -17.836   2.101   2.226
   63   HG23  THR  16          2HG2      THR  16 -19.177   3.240   2.115
   64    H    VAL  17           H        VAL  17 -15.118   2.099   2.681
   65    HA   VAL  17           HA       VAL  17 -14.786  -0.214   0.894
   66    HB   VAL  17           HB       VAL  17 -13.369   0.597   3.414
   67   HG11  VAL  17          1HG1      VAL  17 -12.355  -1.634   3.553
   68   HG12  VAL  17          2HG1      VAL  17 -13.422  -2.199   2.266
   69   HG13  VAL  17          3HG1      VAL  17 -14.097  -1.708   3.820
   70   HG21  VAL  17          3HG2      VAL  17 -11.397   0.011   2.073
   71   HG22  VAL  17          1HG2      VAL  17 -12.393   1.253   1.316
   72   HG23  VAL  17          2HG2      VAL  17 -12.466  -0.410   0.733
   73    H    TYR  18           H        TYR  18 -16.113  -1.873   1.130
   74    HA   TYR  18           HA       TYR  18 -17.750  -2.017   3.569
   75    HD1  TYR  18           HD1      TYR  18 -20.608  -1.322   2.786
   76    HD2  TYR  18           HD2      TYR  18 -17.985  -1.453  -0.560
   77    HE1  TYR  18           HE1      TYR  18 -21.649   0.716   1.896
   78    HE2  TYR  18           HE2      TYR  18 -19.016   0.591  -1.455
   79    HH   TYR  18           HH       TYR  18 -20.943   2.618   0.357
   80    HB2  TYR  18           2HB      TYR  18 -18.235  -3.374   0.901
   81    HB3  TYR  18           1HB      TYR  18 -19.333  -3.331   2.276
   82    H    HIS  19           H        HIS  19 -18.374  -4.548   3.870
   83    HA   HIS  19           HA       HIS  19 -15.876  -5.847   4.445
   84    HD1  HIS  19           HD1      HIS  19 -16.506  -5.731   7.310
   85    HD2  HIS  19           HD2      HIS  19 -20.298  -5.525   5.614
   86    HE1  HIS  19           HE1      HIS  19 -17.873  -4.322   8.890
   87    HE2  HIS  19           HE2      HIS  19 -20.091  -4.023   7.726
   88    HB2  HIS  19           2HB      HIS  19 -18.571  -7.198   4.469
   89    HB3  HIS  19           1HB      HIS  19 -17.145  -7.594   5.424
   90    H    ALA  20           H        ALA  20 -17.860  -5.562   1.783
   91    HA   ALA  20           HA       ALA  20 -17.771  -8.022   0.531
   92    HB1  ALA  20           3HB      ALA  20 -18.160  -6.776  -1.546
   93    HB2  ALA  20           1HB      ALA  20 -17.720  -5.277  -0.723
   94    HB3  ALA  20           2HB      ALA  20 -19.164  -6.167  -0.230
   95    H    GLU  21           H        GLU  21 -15.619  -5.229   0.057
   96    HA   GLU  21           HA       GLU  21 -13.554  -7.063  -0.981
   97    HB2  GLU  21           2HB      GLU  21 -12.640  -5.156  -2.216
   98    HB3  GLU  21           1HB      GLU  21 -14.316  -5.433  -2.652
   99    HG2  GLU  21           2HG      GLU  21 -13.424  -3.320  -0.697
  100    HG3  GLU  21           1HG      GLU  21 -13.648  -3.042  -2.418
  101    H    GLU  22           H        GLU  22 -14.036  -6.690   1.746
  102    HA   GLU  22           HA       GLU  22 -12.358  -4.605   2.812
  103    HB2  GLU  22           2HB      GLU  22 -14.468  -5.229   3.896
  104    HB3  GLU  22           1HB      GLU  22 -13.856  -6.850   4.181
  105    HG2  GLU  22           2HG      GLU  22 -11.982  -5.656   5.494
  106    HG3  GLU  22           1HG      GLU  22 -13.086  -4.279   5.492
  107    H    ILE  23           H        ILE  23 -10.224  -4.822   3.001
  108    HA   ILE  23           HA       ILE  23  -9.311  -7.261   4.377
  109    HB   ILE  23           HB       ILE  23  -7.732  -5.676   2.329
  110   HG12  ILE  23          2HG1      ILE  23  -8.251  -8.634   2.320
  111   HG13  ILE  23          1HG1      ILE  23  -9.424  -7.518   1.616
  112   HG21  ILE  23          1HG2      ILE  23  -6.326  -6.263   4.219
  113   HG22  ILE  23          2HG2      ILE  23  -5.910  -7.258   2.822
  114   HG23  ILE  23          3HG2      ILE  23  -6.876  -7.938   4.132
  115   HD11  ILE  23          3HD1      ILE  23  -7.684  -6.700   0.094
  116   HD12  ILE  23          1HD1      ILE  23  -7.958  -8.433  -0.083
  117   HD13  ILE  23          2HD1      ILE  23  -6.545  -7.847   0.794
  118    H    GLN  24           H        GLN  24  -8.686  -6.770   6.383
  119    HA   GLN  24           HA       GLN  24  -7.964  -3.986   6.949
  120    HB2  GLN  24           2HB      GLN  24  -8.847  -6.189   8.815
  121    HB3  GLN  24           1HB      GLN  24  -8.397  -4.568   9.323
  122    HG2  GLN  24           2HG      GLN  24 -10.226  -3.674   7.910
  123    HG3  GLN  24           1HG      GLN  24 -10.717  -5.333   7.572
  124   HE21  GLN  24          1HE2      GLN  24 -10.015  -6.218  10.288
  125   HE22  GLN  24          2HE2      GLN  24 -11.294  -5.632  11.299
  126    H    CYS  25           H        CYS  25  -5.902  -3.535   7.096
  127    HA   CYS  25           HA       CYS  25  -4.058  -5.628   8.033
  128    HG   CYS  25           HG       CYS  25  -1.290  -5.716   6.323
  129    HB2  CYS  25           2HB      CYS  25  -3.633  -4.744   5.743
  130    HB3  CYS  25           1HB      CYS  25  -3.421  -3.138   6.430
  131    H    ASN  26           H        ASN  26  -3.630  -5.414  10.102
  132    HA   ASN  26           HA       ASN  26  -2.956  -4.578  12.093
  133    HB2  ASN  26           2HB      ASN  26  -1.182  -3.404  10.924
  134    HB3  ASN  26           1HB      ASN  26  -2.283  -2.104  10.486
  135   HD21  ASN  26          1HD2      ASN  26  -0.941  -0.591  11.480
  136   HD22  ASN  26          2HD2      ASN  26  -0.865  -0.425  13.196
  137    H    GLY  27           H        GLY  27  -4.264  -1.595  10.646
  138    HA2  GLY  27           2HA      GLY  27  -6.658  -1.823  12.283
  139    HA3  GLY  27           1HA      GLY  27  -5.579  -0.499  12.696
  140    H    ARG  28           H        ARG  28  -5.674  -1.412   9.390
  141    HA   ARG  28           HA       ARG  28  -7.604   0.718   8.797
  142    HE   ARG  28           HE       ARG  28  -8.821   1.821   6.431
  143    HB2  ARG  28           2HB      ARG  28  -5.379   1.690   8.637
  144    HB3  ARG  28           1HB      ARG  28  -4.877   0.426   7.530
  145    HG2  ARG  28           2HG      ARG  28  -5.304   2.381   6.252
  146    HG3  ARG  28           1HG      ARG  28  -6.619   1.247   5.938
  147    HD2  ARG  28           2HD      ARG  28  -6.907   3.324   8.071
  148    HD3  ARG  28           1HD      ARG  28  -7.138   3.762   6.381
  149   HH11  ARG  28          1HH1      ARG  28  -8.184   4.054   9.051
  150   HH12  ARG  28          2HH1      ARG  28  -9.755   3.862   9.771
  151   HH21  ARG  28          1HH2      ARG  28 -10.887   1.553   7.382
  152   HH22  ARG  28          2HH2      ARG  28 -11.275   2.403   8.855
  153    H    SER  29           H        SER  29  -9.014   0.179   7.340
  154    HA   SER  29           HA       SER  29  -8.794  -2.357   5.967
  155    HG   SER  29           HG       SER  29 -11.717  -0.397   7.537
  156    HB2  SER  29           2HB      SER  29 -11.190  -1.404   5.231
  157    HB3  SER  29           1HB      SER  29 -10.931  -2.208   6.777
  158    H    PHE  30           H        PHE  30  -8.536  -2.609   3.830
  159    HA   PHE  30           HA       PHE  30  -8.520  -0.215   2.105
  160    HD1  PHE  30           HD2      PHE  30  -5.971   0.996   1.794
  161    HD2  PHE  30           HD1      PHE  30  -5.483  -2.685   3.871
  162    HE1  PHE  30           HE2      PHE  30  -4.297   2.045   3.255
  163    HE2  PHE  30           HE1      PHE  30  -3.806  -1.641   5.335
  164    HZ   PHE  30           HZ       PHE  30  -3.211   0.728   5.029
  165    HB2  PHE  30           2HB      PHE  30  -6.695  -2.623   1.864
  166    HB3  PHE  30           1HB      PHE  30  -6.684  -1.200   0.831
  167    H    HIS  31           H        HIS  31  -8.932  -0.779  -0.209
  168    HA   HIS  31           HA       HIS  31 -10.961  -2.781  -0.530
  169    HD2  HIS  31           HD2      HIS  31 -13.064  -1.523  -1.113
  170    HE1  HIS  31           HE1      HIS  31 -12.387   2.463  -2.319
  171    HE2  HIS  31           HE2      HIS  31 -14.100   0.833  -1.419
  172    HB2  HIS  31           2HB      HIS  31  -9.426  -1.152  -2.576
  173    HB3  HIS  31           1HB      HIS  31 -10.683  -2.304  -3.003
  174    H    LYS  32           H        LYS  32 -10.765  -4.713  -1.818
  175    HA   LYS  32           HA       LYS  32  -8.564  -6.315  -1.467
  176    HB2  LYS  32           2HB      LYS  32 -10.807  -7.024  -2.327
  177    HB3  LYS  32           1HB      LYS  32 -10.359  -6.378  -3.898
  178    HG2  LYS  32           2HG      LYS  32  -8.464  -7.962  -3.966
  179    HG3  LYS  32           1HG      LYS  32  -9.033  -8.656  -2.445
  180    HD2  LYS  32           2HD      LYS  32 -11.194  -9.170  -3.536
  181    HD3  LYS  32           1HD      LYS  32 -10.542  -8.565  -5.060
  182    HE2  LYS  32           2HE      LYS  32 -10.361 -10.946  -5.061
  183    HE3  LYS  32           1HE      LYS  32  -8.741 -10.270  -4.890
  184    HZ1  LYS  32           3HZ      LYS  32  -8.792 -10.743  -2.547
  185    HZ2  LYS  32           1HZ      LYS  32  -9.170 -12.159  -3.397
  186    HZ3  LYS  32           2HZ      LYS  32 -10.399 -11.272  -2.636
  187    H    THR  33           H        THR  33  -9.136  -3.951  -3.989
  188    HA   THR  33           HA       THR  33  -6.809  -4.681  -5.524
  189    HB   THR  33           HB       THR  33  -7.428  -2.554  -6.787
  190    HG1  THR  33           HG1      THR  33  -8.650  -1.521  -5.182
  191   HG21  THR  33          3HG2      THR  33  -9.389  -3.616  -7.859
  192   HG22  THR  33          1HG2      THR  33  -9.468  -4.772  -6.533
  193   HG23  THR  33          2HG2      THR  33  -8.066  -4.753  -7.604
  194    H    CYS  34           H        CYS  34  -7.245  -2.927  -2.728
  195    HA   CYS  34           HA       CYS  34  -5.033  -1.087  -3.344
  196    HB2  CYS  34           2HB      CYS  34  -7.138  -0.749  -1.206
  197    HB3  CYS  34           1HB      CYS  34  -5.989   0.460  -1.784
  198    H    PHE  35           H        PHE  35  -5.427  -3.936  -2.012
  199    HA   PHE  35           HA       PHE  35  -4.043  -3.449   0.489
  200    HD1  PHE  35           HD2      PHE  35  -4.392  -4.496   2.576
  201    HD2  PHE  35           HD1      PHE  35  -3.766  -7.863   0.050
  202    HE1  PHE  35           HE2      PHE  35  -3.276  -5.671   4.424
  203    HE2  PHE  35           HE1      PHE  35  -2.640  -9.038   1.895
  204    HZ   PHE  35           HZ       PHE  35  -2.409  -7.937   4.081
  205    HB2  PHE  35           2HB      PHE  35  -5.843  -5.133   0.395
  206    HB3  PHE  35           1HB      PHE  35  -4.901  -6.054  -0.773
  207    H    HIS  36           H        HIS  36  -3.221  -3.979  -2.725
  208    HA   HIS  36           HA       HIS  36  -0.766  -5.368  -2.072
  209    HD1  HIS  36           HD1      HIS  36  -3.468  -5.632  -5.844
  210    HD2  HIS  36           HD2      HIS  36  -0.937  -2.396  -5.194
  211    HE1  HIS  36           HE1      HIS  36  -4.183  -3.872  -7.483
  212    HE2  HIS  36           HE2      HIS  36  -2.753  -1.872  -6.977
  213    HB2  HIS  36           2HB      HIS  36  -0.284  -5.347  -4.500
  214    HB3  HIS  36           1HB      HIS  36  -1.813  -6.110  -4.099
  215    H    CYS  37           H        CYS  37   1.255  -4.378  -3.412
  216    HA   CYS  37           HA       CYS  37   2.141  -2.621  -1.489
  217    HB2  CYS  37           2HB      CYS  37   3.531  -4.081  -2.980
  218    HB3  CYS  37           1HB      CYS  37   3.340  -2.865  -4.239
  219    H    MET  38           H        MET  38   2.129  -0.592  -1.142
  220    HA   MET  38           HA       MET  38   0.768   1.283  -2.804
  221    HB2  MET  38           2HB      MET  38   2.461   1.702  -0.334
  222    HB3  MET  38           1HB      MET  38   1.430   2.918  -1.074
  223    HG2  MET  38           2HG      MET  38   0.451   0.306   0.046
  224    HG3  MET  38           1HG      MET  38   0.440   1.839   0.918
  225    HE1  MET  38           3HE      MET  38  -3.337   1.137   0.060
  226    HE2  MET  38           1HE      MET  38  -2.169   1.411   1.353
  227    HE3  MET  38           2HE      MET  38  -2.098  -0.072   0.400
  228    H    ALA  39           H        ALA  39   4.083   0.323  -2.360
  229    HA   ALA  39           HA       ALA  39   5.156   2.845  -3.276
  230    HB1  ALA  39           3HB      ALA  39   6.314   1.622  -1.534
  231    HB2  ALA  39           1HB      ALA  39   7.341   1.794  -2.957
  232    HB3  ALA  39           2HB      ALA  39   6.547   0.254  -2.623
  233    H    CYS  40           H        CYS  40   5.299  -0.528  -4.502
  234    HA   CYS  40           HA       CYS  40   5.888   0.618  -7.131
  235    HB2  CYS  40           2HB      CYS  40   6.553  -1.647  -7.838
  236    HB3  CYS  40           1HB      CYS  40   7.488  -1.095  -6.460
  237    H    ARG  41           H        ARG  41   4.442  -2.481  -6.680
  238    HA   ARG  41           HA       ARG  41   1.764  -1.876  -6.475
  239    HE   ARG  41           HE       ARG  41   0.437   0.818  -8.726
  240    HB2  ARG  41           2HB      ARG  41   2.331  -0.915  -8.853
  241    HB3  ARG  41           1HB      ARG  41   2.235  -2.601  -9.345
  242    HG2  ARG  41           2HG      ARG  41   0.114  -1.376  -9.657
  243    HG3  ARG  41           1HG      ARG  41  -0.034  -2.758  -8.570
  244    HD2  ARG  41           2HD      ARG  41  -1.236  -0.952  -7.583
  245    HD3  ARG  41           1HD      ARG  41   0.242  -1.178  -6.650
  246   HH11  ARG  41          1HH1      ARG  41  -0.270   0.200  -5.341
  247   HH12  ARG  41          2HH1      ARG  41  -0.172   1.871  -4.894
  248   HH21  ARG  41          1HH2      ARG  41   0.573   3.007  -8.113
  249   HH22  ARG  41          2HH2      ARG  41   0.301   3.459  -6.459
  250    H    LYS  42           H        LYS  42   4.066  -3.820  -6.048
  251    HA   LYS  42           HA       LYS  42   3.576  -6.347  -7.053
  252    HB2  LYS  42           2HB      LYS  42   5.507  -5.815  -5.680
  253    HB3  LYS  42           1HB      LYS  42   4.475  -5.481  -4.300
  254    HG2  LYS  42           2HG      LYS  42   5.276  -7.570  -3.804
  255    HG3  LYS  42           1HG      LYS  42   3.736  -7.949  -4.577
  256    HD2  LYS  42           2HD      LYS  42   4.855  -8.452  -6.659
  257    HD3  LYS  42           1HD      LYS  42   6.406  -7.938  -5.988
  258    HE2  LYS  42           2HE      LYS  42   6.220  -9.735  -4.295
  259    HE3  LYS  42           1HE      LYS  42   4.737 -10.282  -5.075
  260    HZ1  LYS  42           3HZ      LYS  42   7.439 -10.208  -6.303
  261    HZ2  LYS  42           1HZ      LYS  42   6.021 -10.688  -7.100
  262    HZ3  LYS  42           2HZ      LYS  42   6.612 -11.593  -5.793
  263    H    ALA  43           H        ALA  43   2.022  -7.873  -6.718
  264    HA   ALA  43           HA       ALA  43  -0.301  -7.125  -5.188
  265    HB1  ALA  43           3HB      ALA  43   0.303  -9.700  -6.648
  266    HB2  ALA  43           1HB      ALA  43  -0.535  -8.302  -7.323
  267    HB3  ALA  43           2HB      ALA  43  -1.265  -9.213  -6.002
  268    H    LEU  44           H        LEU  44   0.197  -7.106  -3.033
  269    HA   LEU  44           HA       LEU  44   1.676  -9.170  -1.751
  270    HG   LEU  44           HG       LEU  44   2.163  -6.349   0.507
  271    HB2  LEU  44           2HB      LEU  44   0.088  -6.825  -0.801
  272    HB3  LEU  44           1HB      LEU  44   0.534  -8.071   0.350
  273   HD11  LEU  44          1HD1      LEU  44   3.040  -8.634   0.575
  274   HD12  LEU  44          2HD1      LEU  44   4.219  -7.497  -0.077
  275   HD13  LEU  44          3HD1      LEU  44   3.332  -8.569  -1.162
  276   HD21  LEU  44          3HD2      LEU  44   3.474  -5.575  -1.407
  277   HD22  LEU  44          1HD2      LEU  44   1.757  -5.223  -1.592
  278   HD23  LEU  44          2HD2      LEU  44   2.481  -6.565  -2.479
  279    H    ASP  45           H        ASP  45   1.000 -10.748  -0.381
  280    HA   ASP  45           HA       ASP  45  -1.832 -11.527  -0.583
  281    HB2  ASP  45           2HB      ASP  45  -0.049 -13.070  -1.590
  282    HB3  ASP  45           1HB      ASP  45   0.505 -13.347   0.058
  283    H    SER  46           H        SER  46  -2.275 -13.064   1.543
  284    HA   SER  46           HA       SER  46  -2.357 -11.183   3.620
  285    HG   SER  46           HG       SER  46  -3.672 -14.701   2.870
  286    HB2  SER  46           2HB      SER  46  -3.056 -13.232   5.017
  287    HB3  SER  46           1HB      SER  46  -4.061 -12.798   3.634
  288    H    THR  47           H        THR  47   0.013 -13.610   2.848
  289    HA   THR  47           HA       THR  47   1.218 -13.373   5.501
  290    HB   THR  47           HB       THR  47   0.807 -15.634   4.683
  291    HG1  THR  47           HG1      THR  47   2.654 -15.276   6.021
  292   HG21  THR  47          3HG2      THR  47   2.730 -14.934   2.464
  293   HG22  THR  47          1HG2      THR  47   1.003 -15.245   2.288
  294   HG23  THR  47          2HG2      THR  47   2.085 -16.541   2.793
  295    H    THR  48           H        THR  48   1.716 -12.134   2.329
  296    HA   THR  48           HA       THR  48   4.621 -12.078   2.667
  297    HB   THR  48           HB       THR  48   4.595 -11.188   0.292
  298    HG1  THR  48           HG1      THR  48   2.649 -11.543  -0.858
  299   HG21  THR  48          3HG2      THR  48   4.186 -13.414  -0.676
  300   HG22  THR  48          1HG2      THR  48   3.412 -13.915   0.827
  301   HG23  THR  48          2HG2      THR  48   5.129 -13.511   0.812
  302    H    VAL  49           H        VAL  49   1.954  -9.935   2.998
  303    HA   VAL  49           HA       VAL  49   3.200  -7.526   2.231
  304    HB   VAL  49           HB       VAL  49   0.902  -7.318   2.366
  305   HG11  VAL  49          1HG1      VAL  49  -0.453  -7.967   4.320
  306   HG12  VAL  49          2HG1      VAL  49   1.007  -8.529   5.136
  307   HG13  VAL  49          3HG1      VAL  49   0.451  -9.333   3.667
  308   HG21  VAL  49          3HG2      VAL  49   0.411  -5.684   4.120
  309   HG22  VAL  49          1HG2      VAL  49   1.968  -5.376   3.351
  310   HG23  VAL  49          2HG2      VAL  49   1.906  -6.124   4.946
  311    H    ALA  50           H        ALA  50   4.662  -6.289   3.153
  312    HA   ALA  50           HA       ALA  50   5.494  -6.885   5.900
  313    HB1  ALA  50           3HB      ALA  50   7.238  -6.865   4.166
  314    HB2  ALA  50           1HB      ALA  50   7.505  -5.619   5.384
  315    HB3  ALA  50           2HB      ALA  50   6.847  -5.182   3.806
  316    H    ALA  51           H        ALA  51   4.348  -5.772   7.337
  317    HA   ALA  51           HA       ALA  51   3.542  -3.035   6.763
  318    HB1  ALA  51           3HB      ALA  51   1.847  -4.581   7.620
  319    HB2  ALA  51           1HB      ALA  51   2.119  -3.238   8.729
  320    HB3  ALA  51           2HB      ALA  51   2.808  -4.822   9.078
  321    H    HIS  52           H        HIS  52   4.096  -1.305   8.045
  322    HA   HIS  52           HA       HIS  52   6.080  -1.729  10.162
  323    HD1  HIS  52           HD1      HIS  52   9.296  -1.120   9.807
  324    HD2  HIS  52           HD2      HIS  52   7.105   2.389   9.371
  325    HE1  HIS  52           HE1      HIS  52  10.622   0.664  10.980
  326    HE2  HIS  52           HE2      HIS  52   9.200   2.737  10.840
  327    HB2  HIS  52           2HB      HIS  52   7.373  -1.305   8.124
  328    HB3  HIS  52           1HB      HIS  52   6.425   0.138   7.798
  329    H    GLU  53           H        GLU  53   4.465  -1.163  11.625
  330    HA   GLU  53           HA       GLU  53   3.388   0.227  13.041
  331    HB2  GLU  53           2HB      GLU  53   5.026   2.310  11.606
  332    HB3  GLU  53           1HB      GLU  53   4.016   2.660  13.003
  333    HG2  GLU  53           2HG      GLU  53   5.321   1.275  14.412
  334    HG3  GLU  53           1HG      GLU  53   6.189   0.587  13.039
  335    H    SER  54           H        SER  54   3.456   2.499  10.314
  336    HA   SER  54           HA       SER  54   0.549   2.136  10.050
  337    HG   SER  54           HG       SER  54   2.295   5.661   9.477
  338    HB2  SER  54           2HB      SER  54   0.489   4.616   9.484
  339    HB3  SER  54           1HB      SER  54   0.831   4.234  11.169
  340    H    GLU  55           H        GLU  55   2.813   0.961   8.603
  341    HA   GLU  55           HA       GLU  55   2.212   1.982   5.912
  342    HB2  GLU  55           2HB      GLU  55   4.933   1.052   6.834
  343    HB3  GLU  55           1HB      GLU  55   4.525   1.682   5.247
  344    HG2  GLU  55           2HG      GLU  55   4.001   3.859   6.288
  345    HG3  GLU  55           1HG      GLU  55   4.526   3.209   7.841
  346    H    ILE  56           H        ILE  56   2.369   0.464   4.228
  347    HA   ILE  56           HA       ILE  56   3.009  -2.307   4.869
  348    HB   ILE  56           HB       ILE  56   0.849  -2.918   5.023
  349   HG12  ILE  56          2HG1      ILE  56   0.850  -2.283   2.065
  350   HG13  ILE  56          1HG1      ILE  56   1.356  -3.796   2.809
  351   HG21  ILE  56          1HG2      ILE  56   0.090  -0.663   5.384
  352   HG22  ILE  56          2HG2      ILE  56  -1.063  -1.532   4.370
  353   HG23  ILE  56          3HG2      ILE  56   0.045  -0.364   3.646
  354   HD11  ILE  56          3HD1      ILE  56  -0.936  -4.163   3.588
  355   HD12  ILE  56          1HD1      ILE  56  -0.850  -4.004   1.834
  356   HD13  ILE  56          2HD1      ILE  56  -1.431  -2.659   2.814
  357    H    TYR  57           H        TYR  57   4.265  -3.121   3.319
  358    HA   TYR  57           HA       TYR  57   3.928  -2.268   0.551
  359    HD1  TYR  57           HD2      TYR  57   4.989   0.331  -0.220
  360    HD2  TYR  57           HD1      TYR  57   6.463  -0.633   3.647
  361    HE1  TYR  57           HE2      TYR  57   4.705   2.675   0.457
  362    HE2  TYR  57           HE1      TYR  57   6.190   1.713   4.342
  363    HH   TYR  57           HH       TYR  57   4.500   4.029   2.397
  364    HB2  TYR  57           2HB      TYR  57   6.656  -2.198   1.870
  365    HB3  TYR  57           1HB      TYR  57   6.273  -1.751   0.215
  366    H    CYS  58           H        CYS  58   5.511  -3.551  -0.870
  367    HA   CYS  58           HA       CYS  58   5.398  -6.321  -0.148
  368    HB2  CYS  58           2HB      CYS  58   6.294  -6.765  -2.306
  369    HB3  CYS  58           1HB      CYS  58   5.198  -5.405  -2.506
  370    H    LYS  59           H        LYS  59   7.440  -7.679  -0.332
  371    HA   LYS  59           HA       LYS  59   9.294  -6.843   1.630
  372    HB2  LYS  59           2HB      LYS  59   9.430  -9.082  -0.396
  373    HB3  LYS  59           1HB      LYS  59  10.602  -8.855   0.895
  374    HG2  LYS  59           2HG      LYS  59   8.873  -9.177   2.561
  375    HG3  LYS  59           1HG      LYS  59   7.657  -9.341   1.291
  376    HD2  LYS  59           2HD      LYS  59   8.714 -11.344   0.468
  377    HD3  LYS  59           1HD      LYS  59  10.062 -11.141   1.587
  378    HE2  LYS  59           2HE      LYS  59   7.191 -11.624   2.375
  379    HE3  LYS  59           1HE      LYS  59   8.457 -12.850   2.342
  380    HZ1  LYS  59           3HZ      LYS  59   8.242 -12.108   4.561
  381    HZ2  LYS  59           1HZ      LYS  59   8.289 -10.473   4.109
  382    HZ3  LYS  59           2HZ      LYS  59   9.683 -11.431   3.972
  383    H    VAL  60           H        VAL  60   9.113  -6.205  -1.721
  384    HA   VAL  60           HA       VAL  60  11.953  -5.993  -2.158
  385    HB   VAL  60           HB       VAL  60   9.736  -4.961  -3.929
  386   HG11  VAL  60          1HG1      VAL  60  11.946  -4.090  -4.460
  387   HG12  VAL  60          2HG1      VAL  60  11.401  -5.210  -5.709
  388   HG13  VAL  60          3HG1      VAL  60  12.593  -5.729  -4.515
  389   HG21  VAL  60          3HG2      VAL  60   9.940  -7.093  -5.140
  390   HG22  VAL  60          1HG2      VAL  60   9.359  -7.314  -3.489
  391   HG23  VAL  60          2HG2      VAL  60  11.036  -7.681  -3.890
  392    H    CYS  61           H        CYS  61   9.237  -3.670  -2.014
  393    HA   CYS  61           HA       CYS  61  10.918  -1.382  -2.155
  394    HB2  CYS  61           2HB      CYS  61   8.082  -1.643  -1.162
  395    HB3  CYS  61           1HB      CYS  61   8.910  -0.119  -1.454
  396    H    TYR  62           H        TYR  62   9.513  -3.205   0.521
  397    HA   TYR  62           HA       TYR  62  10.283  -1.447   2.578
  398    HD1  TYR  62           HD1      TYR  62  11.665  -4.486   4.698
  399    HD2  TYR  62           HD2      TYR  62   8.197  -2.018   4.727
  400    HE1  TYR  62           HE1      TYR  62  11.938  -4.137   7.115
  401    HE2  TYR  62           HE2      TYR  62   8.466  -1.664   7.141
  402    HH   TYR  62           HH       TYR  62  11.314  -2.511   8.816
  403    HB2  TYR  62           2HB      TYR  62   8.708  -3.411   2.814
  404    HB3  TYR  62           1HB      TYR  62  10.121  -4.463   2.803
  405    H    GLY  63           H        GLY  63  11.934  -4.138   0.999
  406    HA2  GLY  63           2HA      GLY  63  14.244  -4.187   2.583
  407    HA3  GLY  63           1HA      GLY  63  14.136  -4.739   0.919
  408    H    ARG  64           H        ARG  64  13.440  -2.209  -0.243
  409    HA   ARG  64           HA       ARG  64  16.069  -1.121  -0.532
  410    HE   ARG  64           HE       ARG  64  14.056  -2.346  -5.327
  411    HB2  ARG  64           2HB      ARG  64  13.451   0.052  -1.478
  412    HB3  ARG  64           1HB      ARG  64  15.051   0.511  -2.028
  413    HG2  ARG  64           2HG      ARG  64  15.338  -1.729  -2.989
  414    HG3  ARG  64           1HG      ARG  64  13.693  -2.134  -2.484
  415    HD2  ARG  64           2HD      ARG  64  12.951  -0.084  -3.781
  416    HD3  ARG  64           1HD      ARG  64  14.571  -0.050  -4.469
  417   HH11  ARG  64          1HH1      ARG  64  11.509  -0.077  -4.540
  418   HH12  ARG  64          2HH1      ARG  64  10.379  -0.727  -5.688
  419   HH21  ARG  64          1HH2      ARG  64  12.592  -3.197  -6.888
  420   HH22  ARG  64          2HH2      ARG  64  10.989  -2.524  -7.013
  421    H    ARG  65           H        ARG  65  13.022   0.256   0.668
  422    HA   ARG  65           HA       ARG  65  14.138   2.772   1.286
  423    HE   ARG  65           HE       ARG  65  10.436   6.043   2.479
  424    HB2  ARG  65           2HB      ARG  65  11.722   2.261   0.822
  425    HB3  ARG  65           1HB      ARG  65  11.619   1.563   2.429
  426    HG2  ARG  65           2HG      ARG  65  12.168   3.714   3.419
  427    HG3  ARG  65           1HG      ARG  65  12.311   4.427   1.811
  428    HD2  ARG  65           2HD      ARG  65   9.958   3.860   1.373
  429    HD3  ARG  65           1HD      ARG  65   9.826   3.201   3.002
  430   HH11  ARG  65          1HH1      ARG  65   8.695   3.535   4.173
  431   HH12  ARG  65          2HH1      ARG  65   7.787   4.631   5.172
  432   HH21  ARG  65          1HH2      ARG  65   9.233   7.520   3.776
  433   HH22  ARG  65          2HH2      ARG  65   8.110   6.903   4.941
  434    H    TYR  66           H        TYR  66  13.863  -0.184   3.107
  435    HA   TYR  66           HA       TYR  66  14.978   1.212   5.446
  436    HD1  TYR  66           HD1      TYR  66  13.441   1.259   7.995
  437    HD2  TYR  66           HD2      TYR  66  11.290   0.094   4.513
  438    HE1  TYR  66           HE1      TYR  66  11.649   2.829   8.585
  439    HE2  TYR  66           HE2      TYR  66   9.484   1.660   5.100
  440    HH   TYR  66           HH       TYR  66   8.592   2.856   6.996
  441    HB2  TYR  66           2HB      TYR  66  13.181  -1.210   5.306
  442    HB3  TYR  66           1HB      TYR  66  14.050  -0.747   6.768
  Start of MODEL   15
    1    H1   GLY   7           1H       GLY   7 -18.394   0.886   6.841
    2    HA2  GLY   7           2HA      GLY   7 -18.742   3.176   5.034
    3    HA3  GLY   7           1HA      GLY   7 -19.219   3.339   6.720
    4    H    ALA   8           H        ALA   8 -16.430   1.651   5.331
    5    HA   ALA   8           HA       ALA   8 -14.705   3.247   7.098
    6    HB1  ALA   8           3HB      ALA   8 -13.031   1.518   6.729
    7    HB2  ALA   8           1HB      ALA   8 -14.082   0.722   5.558
    8    HB3  ALA   8           2HB      ALA   8 -14.549   0.792   7.258
    9    H    LYS   9           H        LYS   9 -12.479   3.751   6.103
   10    HA   LYS   9           HA       LYS   9 -12.833   4.487   3.286
   11    HB2  LYS   9           2HB      LYS   9 -11.455   6.440   3.599
   12    HB3  LYS   9           1HB      LYS   9 -12.761   6.479   4.770
   13    HG2  LYS   9           2HG      LYS   9 -11.007   7.132   6.064
   14    HG3  LYS   9           1HG      LYS   9 -10.970   5.393   6.342
   15    HD2  LYS   9           2HD      LYS   9  -8.726   6.226   5.931
   16    HD3  LYS   9           1HD      LYS   9  -9.234   5.163   4.619
   17    HE2  LYS   9           2HE      LYS   9  -9.836   7.179   3.290
   18    HE3  LYS   9           1HE      LYS   9  -9.183   8.181   4.588
   19    HZ1  LYS   9           3HZ      LYS   9  -7.681   6.220   2.940
   20    HZ2  LYS   9           1HZ      LYS   9  -7.025   7.061   4.261
   21    HZ3  LYS   9           2HZ      LYS   9  -7.540   7.906   2.881
   22    H    CYS  10           H        CYS  10 -11.139   4.120   1.924
   23    HA   CYS  10           HA       CYS  10  -9.611   1.820   2.557
   24    HB2  CYS  10           2HB      CYS  10 -10.538   2.404   0.320
   25    HB3  CYS  10           1HB      CYS  10  -9.364   3.702   0.212
   26    H    GLY  11           H        GLY  11  -7.653   1.673   3.414
   27    HA2  GLY  11           2HA      GLY  11  -6.074   3.878   4.180
   28    HA3  GLY  11           1HA      GLY  11  -5.523   2.211   4.098
   29    H    ALA  12           H        ALA  12  -6.496   2.469   1.117
   30    HA   ALA  12           HA       ALA  12  -3.991   3.665   0.130
   31    HB1  ALA  12           3HB      ALA  12  -4.327   1.324  -0.480
   32    HB2  ALA  12           1HB      ALA  12  -4.362   2.361  -1.905
   33    HB3  ALA  12           2HB      ALA  12  -5.867   1.734  -1.233
   34    H    CYS  13           H        CYS  13  -7.468   3.433  -0.608
   35    HA   CYS  13           HA       CYS  13  -7.368   5.649  -2.459
   36    HB2  CYS  13           2HB      CYS  13  -9.721   4.181  -1.241
   37    HB3  CYS  13           1HB      CYS  13  -9.839   5.387  -2.513
   38    H    GLU  14           H        GLU  14  -9.085   7.382  -2.153
   39    HA   GLU  14           HA       GLU  14  -9.355   8.234   0.643
   40    HB2  GLU  14           2HB      GLU  14  -9.761  10.425  -0.159
   41    HB3  GLU  14           1HB      GLU  14  -8.415   9.820  -1.115
   42    HG2  GLU  14           2HG      GLU  14 -11.279   9.824  -1.972
   43    HG3  GLU  14           1HG      GLU  14 -10.100  11.048  -2.438
   44    H    LYS  15           H        LYS  15 -10.717   6.250  -1.324
   45    HA   LYS  15           HA       LYS  15 -13.482   7.147  -1.250
   46    HB2  LYS  15           2HB      LYS  15 -12.499   4.511  -2.330
   47    HB3  LYS  15           1HB      LYS  15 -13.933   5.417  -2.795
   48    HG2  LYS  15           2HG      LYS  15 -12.498   7.135  -3.806
   49    HG3  LYS  15           1HG      LYS  15 -11.077   6.177  -3.384
   50    HD2  LYS  15           2HD      LYS  15 -12.134   4.299  -4.733
   51    HD3  LYS  15           1HD      LYS  15 -13.269   5.508  -5.337
   52    HE2  LYS  15           2HE      LYS  15 -10.269   5.528  -5.630
   53    HE3  LYS  15           1HE      LYS  15 -11.456   5.259  -6.903
   54    HZ1  LYS  15           3HZ      LYS  15 -10.605   7.515  -6.965
   55    HZ2  LYS  15           1HZ      LYS  15 -11.101   7.782  -5.364
   56    HZ3  LYS  15           2HZ      LYS  15 -12.256   7.523  -6.581
   57    H    THR  16           H        THR  16 -14.934   4.953  -0.943
   58    HA   THR  16           HA       THR  16 -14.458   4.322   1.867
   59    HB   THR  16           HB       THR  16 -16.946   3.394   1.384
   60    HG1  THR  16           HG1      THR  16 -17.055   4.076  -0.759
   61   HG21  THR  16          3HG2      THR  16 -17.764   5.498   2.341
   62   HG22  THR  16          1HG2      THR  16 -16.215   6.262   1.982
   63   HG23  THR  16          2HG2      THR  16 -16.300   4.953   3.160
   64    H    VAL  17           H        VAL  17 -14.457   2.306   2.689
   65    HA   VAL  17           HA       VAL  17 -14.275   0.070   0.782
   66    HB   VAL  17           HB       VAL  17 -13.127   0.400   3.558
   67   HG11  VAL  17          1HG1      VAL  17 -13.045  -2.037   1.785
   68   HG12  VAL  17          2HG1      VAL  17 -13.933  -1.891   3.300
   69   HG13  VAL  17          3HG1      VAL  17 -12.171  -1.837   3.304
   70   HG21  VAL  17          3HG2      VAL  17 -11.830  -0.013   0.878
   71   HG22  VAL  17          1HG2      VAL  17 -10.987   0.094   2.423
   72   HG23  VAL  17          2HG2      VAL  17 -11.865   1.491   1.800
   73    H    TYR  18           H        TYR  18 -15.520  -1.728   1.044
   74    HA   TYR  18           HA       TYR  18 -17.599  -1.624   3.136
   75    HD1  TYR  18           HD1      TYR  18 -17.260   0.283   0.132
   76    HD2  TYR  18           HD2      TYR  18 -20.842  -1.268   1.820
   77    HE1  TYR  18           HE1      TYR  18 -18.327   2.482  -0.127
   78    HE2  TYR  18           HE2      TYR  18 -21.917   0.924   1.568
   79    HH   TYR  18           HH       TYR  18 -21.402   3.198   1.311
   80    HB2  TYR  18           2HB      TYR  18 -17.888  -2.273   0.197
   81    HB3  TYR  18           1HB      TYR  18 -19.100  -2.721   1.389
   82    H    HIS  19           H        HIS  19 -18.740  -3.906   3.197
   83    HA   HIS  19           HA       HIS  19 -16.771  -5.843   3.829
   84    HD1  HIS  19           HD1      HIS  19 -20.202  -8.727   3.261
   85    HD2  HIS  19           HD2      HIS  19 -20.804  -4.691   2.445
   86    HE1  HIS  19           HE1      HIS  19 -22.281  -8.622   1.842
   87    HE2  HIS  19           HE2      HIS  19 -22.713  -6.158   1.501
   88    HB2  HIS  19           2HB      HIS  19 -18.536  -7.314   4.389
   89    HB3  HIS  19           1HB      HIS  19 -19.130  -5.710   4.784
   90    H    ALA  20           H        ALA  20 -18.025  -4.852   0.904
   91    HA   ALA  20           HA       ALA  20 -18.089  -7.132  -0.683
   92    HB1  ALA  20           3HB      ALA  20 -17.196  -4.350  -1.435
   93    HB2  ALA  20           1HB      ALA  20 -18.858  -4.942  -1.443
   94    HB3  ALA  20           2HB      ALA  20 -17.674  -5.620  -2.562
   95    H    GLU  21           H        GLU  21 -15.335  -4.996   0.109
   96    HA   GLU  21           HA       GLU  21 -13.543  -7.190  -0.518
   97    HB2  GLU  21           2HB      GLU  21 -12.165  -5.896  -2.032
   98    HB3  GLU  21           1HB      GLU  21 -13.787  -6.047  -2.671
   99    HG2  GLU  21           2HG      GLU  21 -14.248  -3.733  -1.974
  100    HG3  GLU  21           1HG      GLU  21 -12.613  -3.621  -1.326
  101    H    GLU  22           H        GLU  22 -14.062  -6.207   1.986
  102    HA   GLU  22           HA       GLU  22 -11.937  -4.320   2.609
  103    HB2  GLU  22           2HB      GLU  22 -14.060  -3.956   3.731
  104    HB3  GLU  22           1HB      GLU  22 -14.012  -5.582   4.404
  105    HG2  GLU  22           2HG      GLU  22 -11.986  -4.993   5.654
  106    HG3  GLU  22           1HG      GLU  22 -12.066  -3.360   5.000
  107    H    ILE  23           H        ILE  23  -9.979  -5.031   2.921
  108    HA   ILE  23           HA       ILE  23  -9.639  -7.432   4.591
  109    HB   ILE  23           HB       ILE  23  -7.732  -6.137   2.631
  110   HG12  ILE  23          2HG1      ILE  23  -8.451  -9.043   2.818
  111   HG13  ILE  23          1HG1      ILE  23  -9.501  -7.917   1.952
  112   HG21  ILE  23          1HG2      ILE  23  -6.511  -6.661   4.683
  113   HG22  ILE  23          2HG2      ILE  23  -6.037  -7.741   3.372
  114   HG23  ILE  23          3HG2      ILE  23  -7.126  -8.313   4.636
  115   HD11  ILE  23          3HD1      ILE  23  -7.609  -7.341   0.495
  116   HD12  ILE  23          1HD1      ILE  23  -8.008  -9.060   0.433
  117   HD13  ILE  23          2HD1      ILE  23  -6.609  -8.511   1.358
  118    H    GLN  24           H        GLN  24  -9.217  -6.979   6.645
  119    HA   GLN  24           HA       GLN  24  -8.113  -4.369   7.330
  120    HB2  GLN  24           2HB      GLN  24  -9.343  -6.558   9.009
  121    HB3  GLN  24           1HB      GLN  24  -8.593  -5.123   9.696
  122    HG2  GLN  24           2HG      GLN  24 -10.202  -3.704   8.570
  123    HG3  GLN  24           1HG      GLN  24 -10.927  -5.111   7.794
  124   HE21  GLN  24          1HE2      GLN  24 -10.504  -3.383  10.788
  125   HE22  GLN  24          2HE2      GLN  24 -11.796  -4.163  11.642
  126    H    CYS  25           H        CYS  25  -5.997  -4.336   7.065
  127    HA   CYS  25           HA       CYS  25  -4.411  -6.550   8.192
  128    HG   CYS  25           HG       CYS  25  -2.017  -7.532   6.602
  129    HB2  CYS  25           2HB      CYS  25  -4.162  -6.193   5.734
  130    HB3  CYS  25           1HB      CYS  25  -3.584  -4.565   6.064
  131    H    ASN  26           H        ASN  26  -3.083  -6.113   9.808
  132    HA   ASN  26           HA       ASN  26  -1.959  -5.019  11.449
  133    HB2  ASN  26           2HB      ASN  26  -0.798  -3.802   9.680
  134    HB3  ASN  26           1HB      ASN  26  -2.128  -2.656   9.566
  135   HD21  ASN  26          1HD2      ASN  26  -0.910  -0.891  10.033
  136   HD22  ASN  26          2HD2      ASN  26  -0.231  -0.584  11.597
  137    H    GLY  27           H        GLY  27  -4.204  -2.586  10.135
  138    HA2  GLY  27           2HA      GLY  27  -6.161  -2.859  12.104
  139    HA3  GLY  27           1HA      GLY  27  -5.046  -1.612  12.646
  140    H    ARG  28           H        ARG  28  -5.654  -2.121   9.245
  141    HA   ARG  28           HA       ARG  28  -7.408   0.232   9.183
  142    HE   ARG  28           HE       ARG  28  -2.752   2.662   9.998
  143    HB2  ARG  28           2HB      ARG  28  -4.915  -0.171   7.520
  144    HB3  ARG  28           1HB      ARG  28  -6.182   0.957   7.078
  145    HG2  ARG  28           2HG      ARG  28  -4.573   2.276   8.112
  146    HG3  ARG  28           1HG      ARG  28  -5.784   2.021   9.369
  147    HD2  ARG  28           2HD      ARG  28  -4.419   0.243  10.331
  148    HD3  ARG  28           1HD      ARG  28  -3.221   0.468   9.059
  149   HH11  ARG  28          1HH1      ARG  28  -4.662   0.505  11.990
  150   HH12  ARG  28          2HH1      ARG  28  -4.163   1.226  13.485
  151   HH21  ARG  28          1HH2      ARG  28  -2.126   3.642  11.968
  152   HH22  ARG  28          2HH2      ARG  28  -2.746   3.026  13.473
  153    H    SER  29           H        SER  29  -8.845   0.283   7.430
  154    HA   SER  29           HA       SER  29  -9.372  -2.291   6.218
  155    HG   SER  29           HG       SER  29 -12.151  -1.692   7.274
  156    HB2  SER  29           2HB      SER  29 -10.876   0.331   6.028
  157    HB3  SER  29           1HB      SER  29 -11.430  -1.212   5.380
  158    H    PHE  30           H        PHE  30  -8.616  -2.856   4.305
  159    HA   PHE  30           HA       PHE  30  -8.042  -0.747   2.317
  160    HD1  PHE  30           HD1      PHE  30  -5.516   0.145   2.504
  161    HD2  PHE  30           HD2      PHE  30  -5.546  -3.543   4.620
  162    HE1  PHE  30           HE1      PHE  30  -3.944   1.081   4.149
  163    HE2  PHE  30           HE2      PHE  30  -3.972  -2.617   6.266
  164    HZ   PHE  30           HZ       PHE  30  -3.174  -0.300   6.034
  165    HB2  PHE  30           2HB      PHE  30  -6.612  -3.404   2.588
  166    HB3  PHE  30           1HB      PHE  30  -6.221  -2.109   1.465
  167    H    HIS  31           H        HIS  31  -8.750  -1.135   0.214
  168    HA   HIS  31           HA       HIS  31 -10.718  -3.114  -0.272
  169    HD2  HIS  31           HD2      HIS  31 -12.663  -1.823  -0.661
  170    HE1  HIS  31           HE1      HIS  31 -12.170   2.071  -2.203
  171    HE2  HIS  31           HE2      HIS  31 -13.785   0.472  -1.114
  172    HB2  HIS  31           2HB      HIS  31  -9.052  -1.429  -2.151
  173    HB3  HIS  31           1HB      HIS  31 -10.252  -2.577  -2.730
  174    H    LYS  32           H        LYS  32 -10.536  -5.006  -1.643
  175    HA   LYS  32           HA       LYS  32  -8.205  -6.536  -1.125
  176    HB2  LYS  32           2HB      LYS  32 -10.551  -7.429  -1.537
  177    HB3  LYS  32           1HB      LYS  32 -10.262  -7.154  -3.249
  178    HG2  LYS  32           2HG      LYS  32  -8.432  -8.717  -3.242
  179    HG3  LYS  32           1HG      LYS  32  -8.559  -8.913  -1.491
  180    HD2  LYS  32           2HD      LYS  32 -10.860  -9.792  -1.814
  181    HD3  LYS  32           1HD      LYS  32 -10.606  -9.712  -3.557
  182    HE2  LYS  32           2HE      LYS  32 -10.209 -11.967  -2.774
  183    HE3  LYS  32           1HE      LYS  32  -8.701 -11.252  -3.334
  184    HZ1  LYS  32           3HZ      LYS  32  -9.502 -11.292  -0.478
  185    HZ2  LYS  32           1HZ      LYS  32  -7.971 -10.942  -1.124
  186    HZ3  LYS  32           2HZ      LYS  32  -8.581 -12.524  -1.193
  187    H    THR  33           H        THR  33  -9.232  -4.489  -3.718
  188    HA   THR  33           HA       THR  33  -7.086  -5.235  -5.506
  189    HB   THR  33           HB       THR  33  -9.294  -4.414  -6.306
  190    HG1  THR  33           HG1      THR  33  -7.468  -4.260  -7.675
  191   HG21  THR  33          3HG2      THR  33  -8.332  -1.754  -5.259
  192   HG22  THR  33          1HG2      THR  33  -9.712  -2.674  -4.658
  193   HG23  THR  33          2HG2      THR  33  -9.745  -1.998  -6.288
  194    H    CYS  34           H        CYS  34  -7.349  -3.389  -2.751
  195    HA   CYS  34           HA       CYS  34  -5.031  -1.734  -3.504
  196    HB2  CYS  34           2HB      CYS  34  -7.070  -1.219  -1.337
  197    HB3  CYS  34           1HB      CYS  34  -5.743  -0.152  -1.800
  198    H    PHE  35           H        PHE  35  -5.695  -4.496  -1.983
  199    HA   PHE  35           HA       PHE  35  -4.247  -4.131   0.450
  200    HD1  PHE  35           HD1      PHE  35  -4.646  -5.320   2.467
  201    HD2  PHE  35           HD2      PHE  35  -3.681  -8.459  -0.238
  202    HE1  PHE  35           HE1      PHE  35  -3.465  -6.501   4.266
  203    HE2  PHE  35           HE2      PHE  35  -2.504  -9.650   1.564
  204    HZ   PHE  35           HZ       PHE  35  -2.397  -8.660   3.814
  205    HB2  PHE  35           2HB      PHE  35  -5.966  -5.883   0.221
  206    HB3  PHE  35           1HB      PHE  35  -4.964  -6.700  -0.980
  207    H    HIS  36           H        HIS  36  -3.352  -4.445  -2.757
  208    HA   HIS  36           HA       HIS  36  -0.792  -5.581  -2.034
  209    HD1  HIS  36           HD1      HIS  36  -3.718  -6.530  -5.042
  210    HD2  HIS  36           HD2      HIS  36  -1.463  -3.136  -5.888
  211    HE1  HIS  36           HE1      HIS  36  -4.931  -5.357  -6.903
  212    HE2  HIS  36           HE2      HIS  36  -3.505  -3.364  -7.474
  213    HB2  HIS  36           2HB      HIS  36  -0.299  -5.419  -4.526
  214    HB3  HIS  36           1HB      HIS  36  -1.486  -6.591  -3.986
  215    H    CYS  37           H        CYS  37   1.111  -4.453  -3.361
  216    HA   CYS  37           HA       CYS  37   1.881  -2.741  -1.412
  217    HB2  CYS  37           2HB      CYS  37   3.322  -3.960  -3.006
  218    HB3  CYS  37           1HB      CYS  37   2.954  -2.740  -4.217
  219    H    MET  38           H        MET  38   1.676  -0.747  -0.867
  220    HA   MET  38           HA       MET  38   0.224   1.184  -2.400
  221    HB2  MET  38           2HB      MET  38   1.903   1.639   0.071
  222    HB3  MET  38           1HB      MET  38   0.635   2.685  -0.549
  223    HG2  MET  38           2HG      MET  38   0.277  -0.080   0.578
  224    HG3  MET  38           1HG      MET  38  -0.129   1.436   1.377
  225    HE1  MET  38           3HE      MET  38  -2.539   0.412   1.868
  226    HE2  MET  38           1HE      MET  38  -2.121  -1.066   0.998
  227    HE3  MET  38           2HE      MET  38  -3.613  -0.207   0.612
  228    H    ALA  39           H        ALA  39   3.545   0.276  -2.118
  229    HA   ALA  39           HA       ALA  39   4.551   2.902  -2.828
  230    HB1  ALA  39           3HB      ALA  39   6.051   0.321  -2.458
  231    HB2  ALA  39           1HB      ALA  39   5.773   1.537  -1.211
  232    HB3  ALA  39           2HB      ALA  39   6.758   1.928  -2.623
  233    H    CYS  40           H        CYS  40   4.523  -0.356  -4.306
  234    HA   CYS  40           HA       CYS  40   4.848   1.037  -6.869
  235    HB2  CYS  40           2HB      CYS  40   5.670  -1.077  -7.836
  236    HB3  CYS  40           1HB      CYS  40   6.688  -0.525  -6.518
  237    H    ARG  41           H        ARG  41   3.775  -2.239  -6.582
  238    HA   ARG  41           HA       ARG  41   1.100  -1.939  -5.970
  239    HE   ARG  41           HE       ARG  41  -2.908  -0.503  -7.272
  240    HB2  ARG  41           2HB      ARG  41   1.360  -0.764  -8.375
  241    HB3  ARG  41           1HB      ARG  41   1.105  -2.424  -8.899
  242    HG2  ARG  41           2HG      ARG  41  -0.988  -1.159  -8.805
  243    HG3  ARG  41           1HG      ARG  41  -0.990  -2.516  -7.680
  244    HD2  ARG  41           2HD      ARG  41  -0.387  -0.967  -5.853
  245    HD3  ARG  41           1HD      ARG  41  -0.465   0.376  -6.990
  246   HH11  ARG  41          1HH1      ARG  41  -1.069  -0.391  -4.283
  247   HH12  ARG  41          2HH1      ARG  41  -2.469  -0.150  -3.286
  248   HH21  ARG  41          1HH2      ARG  41  -4.753  -0.197  -5.969
  249   HH22  ARG  41          2HH2      ARG  41  -4.573  -0.034  -4.247
  250    H    LYS  42           H        LYS  42   3.608  -3.694  -6.114
  251    HA   LYS  42           HA       LYS  42   3.105  -6.121  -7.359
  252    HB2  LYS  42           2HB      LYS  42   5.245  -5.533  -6.310
  253    HB3  LYS  42           1HB      LYS  42   4.496  -5.588  -4.722
  254    HG2  LYS  42           2HG      LYS  42   4.046  -7.989  -5.051
  255    HG3  LYS  42           1HG      LYS  42   4.890  -7.910  -6.600
  256    HD2  LYS  42           2HD      LYS  42   6.910  -7.111  -5.386
  257    HD3  LYS  42           1HD      LYS  42   6.048  -7.365  -3.868
  258    HE2  LYS  42           2HE      LYS  42   7.433  -9.269  -4.264
  259    HE3  LYS  42           1HE      LYS  42   5.756  -9.751  -4.516
  260    HZ1  LYS  42           3HZ      LYS  42   7.321 -10.578  -6.228
  261    HZ2  LYS  42           1HZ      LYS  42   7.602  -8.979  -6.708
  262    HZ3  LYS  42           2HZ      LYS  42   6.056  -9.658  -6.865
  263    H    ALA  43           H        ALA  43   1.968  -7.945  -6.828
  264    HA   ALA  43           HA       ALA  43  -0.304  -7.552  -5.155
  265    HB1  ALA  43           3HB      ALA  43  -0.409  -8.825  -7.251
  266    HB2  ALA  43           1HB      ALA  43  -1.006  -9.746  -5.871
  267    HB3  ALA  43           2HB      ALA  43   0.600 -10.076  -6.523
  268    H    LEU  44           H        LEU  44   0.080  -7.459  -3.013
  269    HA   LEU  44           HA       LEU  44   1.767  -9.396  -1.688
  270    HG   LEU  44           HG       LEU  44   2.149  -6.451   0.468
  271    HB2  LEU  44           2HB      LEU  44   0.079  -7.101  -0.755
  272    HB3  LEU  44           1HB      LEU  44   0.663  -8.286   0.394
  273   HD11  LEU  44          1HD1      LEU  44   4.275  -7.432  -0.256
  274   HD12  LEU  44          2HD1      LEU  44   3.393  -8.633  -1.197
  275   HD13  LEU  44          3HD1      LEU  44   3.248  -8.611   0.560
  276   HD21  LEU  44          3HD2      LEU  44   3.324  -5.613  -1.511
  277   HD22  LEU  44          1HD2      LEU  44   1.580  -5.373  -1.598
  278   HD23  LEU  44          2HD2      LEU  44   2.337  -6.669  -2.521
  279    H    ASP  45           H        ASP  45   1.088 -10.991  -0.268
  280    HA   ASP  45           HA       ASP  45  -1.804 -11.546  -0.242
  281    HB2  ASP  45           2HB      ASP  45  -0.192 -13.275  -1.321
  282    HB3  ASP  45           1HB      ASP  45   0.313 -13.620   0.329
  283    H    SER  46           H        SER  46  -1.812 -13.319   1.894
  284    HA   SER  46           HA       SER  46  -2.203 -11.496   3.963
  285    HG   SER  46           HG       SER  46  -2.179 -14.794   2.749
  286    HB2  SER  46           2HB      SER  46  -2.373 -13.664   5.360
  287    HB3  SER  46           1HB      SER  46  -3.496 -13.446   4.016
  288    H    THR  47           H        THR  47   0.469 -13.857   3.583
  289    HA   THR  47           HA       THR  47   1.677 -12.736   6.011
  290    HB   THR  47           HB       THR  47   3.161 -14.794   5.860
  291    HG1  THR  47           HG1      THR  47   2.885 -16.080   4.198
  292   HG21  THR  47          3HG2      THR  47   1.418 -16.280   6.769
  293   HG22  THR  47          1HG2      THR  47   0.179 -15.179   6.170
  294   HG23  THR  47          2HG2      THR  47   1.293 -14.650   7.427
  295    H    THR  48           H        THR  48   1.906 -12.022   2.870
  296    HA   THR  48           HA       THR  48   4.839 -11.921   2.818
  297    HB   THR  48           HB       THR  48   4.142 -11.120   0.335
  298    HG1  THR  48           HG1      THR  48   2.191 -13.081   1.046
  299   HG21  THR  48          3HG2      THR  48   5.711 -12.917   0.893
  300   HG22  THR  48          1HG2      THR  48   4.594 -13.426  -0.373
  301   HG23  THR  48          2HG2      THR  48   4.361 -13.980   1.286
  302    H    VAL  49           H        VAL  49   2.091  -9.912   3.192
  303    HA   VAL  49           HA       VAL  49   3.196  -7.494   2.219
  304    HB   VAL  49           HB       VAL  49   0.913  -7.307   2.445
  305   HG11  VAL  49          1HG1      VAL  49  -0.390  -8.040   4.377
  306   HG12  VAL  49          2HG1      VAL  49   1.092  -8.505   5.218
  307   HG13  VAL  49          3HG1      VAL  49   0.597  -9.365   3.759
  308   HG21  VAL  49          3HG2      VAL  49   1.982  -6.126   5.002
  309   HG22  VAL  49          1HG2      VAL  49   0.421  -5.740   4.279
  310   HG23  VAL  49          2HG2      VAL  49   1.911  -5.343   3.424
  311    H    ALA  50           H        ALA  50   4.545  -6.070   3.083
  312    HA   ALA  50           HA       ALA  50   5.514  -6.566   5.805
  313    HB1  ALA  50           3HB      ALA  50   7.198  -6.512   3.999
  314    HB2  ALA  50           1HB      ALA  50   7.450  -5.240   5.196
  315    HB3  ALA  50           2HB      ALA  50   6.724  -4.851   3.638
  316    H    ALA  51           H        ALA  51   4.383  -5.457   7.254
  317    HA   ALA  51           HA       ALA  51   3.441  -2.764   6.576
  318    HB1  ALA  51           3HB      ALA  51   1.864  -3.022   8.417
  319    HB2  ALA  51           1HB      ALA  51   2.558  -4.596   8.802
  320    HB3  ALA  51           2HB      ALA  51   1.719  -4.354   7.269
  321    H    HIS  52           H        HIS  52   4.155  -1.020   7.623
  322    HA   HIS  52           HA       HIS  52   5.839  -1.419  10.012
  323    HD1  HIS  52           HD1      HIS  52   6.852   2.834   8.737
  324    HD2  HIS  52           HD2      HIS  52   8.306  -0.334  11.013
  325    HE1  HIS  52           HE1      HIS  52   8.283   3.877  10.526
  326    HE2  HIS  52           HE2      HIS  52   8.976   1.960  12.001
  327    HB2  HIS  52           2HB      HIS  52   7.259  -0.681   8.185
  328    HB3  HIS  52           1HB      HIS  52   6.155   0.642   7.814
  329    H    GLU  53           H        GLU  53   4.393  -1.015  11.557
  330    HA   GLU  53           HA       GLU  53   3.306   0.243  13.090
  331    HB2  GLU  53           2HB      GLU  53   3.963   2.627  11.359
  332    HB3  GLU  53           1HB      GLU  53   3.451   2.661  13.039
  333    HG2  GLU  53           2HG      GLU  53   6.028   1.543  11.973
  334    HG3  GLU  53           1HG      GLU  53   5.823   3.040  12.877
  335    H    SER  54           H        SER  54   2.570   1.595   9.879
  336    HA   SER  54           HA       SER  54  -0.252   0.969  10.313
  337    HG   SER  54           HG       SER  54  -0.960   3.558   8.356
  338    HB2  SER  54           2HB      SER  54  -0.119   3.269  11.030
  339    HB3  SER  54           1HB      SER  54   0.813   3.713   9.601
  340    H    GLU  55           H        GLU  55   2.362   1.837   8.125
  341    HA   GLU  55           HA       GLU  55   0.633   1.595   5.804
  342    HB2  GLU  55           2HB      GLU  55   3.581   2.236   5.915
  343    HB3  GLU  55           1HB      GLU  55   2.514   2.438   4.531
  344    HG2  GLU  55           2HG      GLU  55   2.488   3.978   7.112
  345    HG3  GLU  55           1HG      GLU  55   2.863   4.578   5.497
  346    H    ILE  56           H        ILE  56   0.878   0.134   4.152
  347    HA   ILE  56           HA       ILE  56   2.450  -2.275   4.795
  348    HB   ILE  56           HB       ILE  56   0.510  -3.391   4.762
  349   HG12  ILE  56          2HG1      ILE  56   0.360  -2.527   1.862
  350   HG13  ILE  56          1HG1      ILE  56   1.152  -3.974   2.488
  351   HG21  ILE  56          1HG2      ILE  56  -0.801  -0.948   3.583
  352   HG22  ILE  56          2HG2      ILE  56  -0.665  -1.343   5.296
  353   HG23  ILE  56          3HG2      ILE  56  -1.641  -2.356   4.232
  354   HD11  ILE  56          3HD1      ILE  56  -1.799  -3.388   2.581
  355   HD12  ILE  56          1HD1      ILE  56  -1.015  -4.835   3.214
  356   HD13  ILE  56          2HD1      ILE  56  -0.991  -4.506   1.483
  357    H    TYR  57           H        TYR  57   3.830  -3.036   3.272
  358    HA   TYR  57           HA       TYR  57   3.551  -2.124   0.508
  359    HD1  TYR  57           HD1      TYR  57   4.561   0.483  -0.230
  360    HD2  TYR  57           HD2      TYR  57   5.724  -0.403   3.762
  361    HE1  TYR  57           HE1      TYR  57   4.048   2.799   0.426
  362    HE2  TYR  57           HE2      TYR  57   5.223   1.909   4.431
  363    HH   TYR  57           HH       TYR  57   3.399   4.003   2.584
  364    HB2  TYR  57           2HB      TYR  57   6.169  -1.950   2.028
  365    HB3  TYR  57           1HB      TYR  57   5.920  -1.528   0.338
  366    H    CYS  58           H        CYS  58   5.085  -3.317  -0.958
  367    HA   CYS  58           HA       CYS  58   5.196  -6.106  -0.241
  368    HB2  CYS  58           2HB      CYS  58   5.829  -6.509  -2.470
  369    HB3  CYS  58           1HB      CYS  58   4.758  -5.121  -2.589
  370    H    LYS  59           H        LYS  59   7.211  -7.326  -0.342
  371    HA   LYS  59           HA       LYS  59   8.936  -6.306   1.598
  372    HB2  LYS  59           2HB      LYS  59   9.204  -8.727  -0.174
  373    HB3  LYS  59           1HB      LYS  59  10.296  -8.368   1.158
  374    HG2  LYS  59           2HG      LYS  59   8.287  -8.351   2.666
  375    HG3  LYS  59           1HG      LYS  59   7.352  -8.969   1.304
  376    HD2  LYS  59           2HD      LYS  59   9.806 -10.323   2.421
  377    HD3  LYS  59           1HD      LYS  59   8.160 -10.716   2.911
  378    HE2  LYS  59           2HE      LYS  59   7.619 -11.331   0.608
  379    HE3  LYS  59           1HE      LYS  59   9.261 -10.920   0.112
  380    HZ1  LYS  59           3HZ      LYS  59   8.976 -13.306   0.447
  381    HZ2  LYS  59           1HZ      LYS  59   8.545 -13.045   2.065
  382    HZ3  LYS  59           2HZ      LYS  59  10.107 -12.666   1.532
  383    H    VAL  60           H        VAL  60   9.155  -6.012  -1.869
  384    HA   VAL  60           HA       VAL  60  12.002  -5.523  -1.764
  385    HB   VAL  60           HB       VAL  60  11.966  -5.055  -4.117
  386   HG11  VAL  60          1HG1      VAL  60  11.969  -7.385  -3.465
  387   HG12  VAL  60          2HG1      VAL  60  11.069  -7.174  -4.967
  388   HG13  VAL  60          3HG1      VAL  60  10.206  -7.407  -3.446
  389   HG21  VAL  60          3HG2      VAL  60   8.958  -5.198  -3.963
  390   HG22  VAL  60          1HG2      VAL  60   9.910  -5.081  -5.445
  391   HG23  VAL  60          2HG2      VAL  60   9.921  -3.754  -4.281
  392    H    CYS  61           H        CYS  61   9.064  -3.519  -2.031
  393    HA   CYS  61           HA       CYS  61  10.508  -1.063  -2.163
  394    HB2  CYS  61           2HB      CYS  61   7.687  -1.631  -1.266
  395    HB3  CYS  61           1HB      CYS  61   8.364  -0.016  -1.426
  396    H    TYR  62           H        TYR  62   9.289  -3.059   0.440
  397    HA   TYR  62           HA       TYR  62   9.719  -1.231   2.536
  398    HD1  TYR  62           HD2      TYR  62   7.618  -1.728   4.257
  399    HD2  TYR  62           HD1      TYR  62  10.932  -4.300   4.964
  400    HE1  TYR  62           HE2      TYR  62   7.426  -1.304   6.675
  401    HE2  TYR  62           HE1      TYR  62  10.754  -3.876   7.377
  402    HH   TYR  62           HH       TYR  62   8.061  -2.210   8.770
  403    HB2  TYR  62           2HB      TYR  62   8.421  -3.447   2.558
  404    HB3  TYR  62           1HB      TYR  62   9.979  -4.218   2.823
  405    H    GLY  63           H        GLY  63  11.767  -3.827   1.222
  406    HA2  GLY  63           2HA      GLY  63  13.938  -3.266   2.997
  407    HA3  GLY  63           1HA      GLY  63  13.984  -4.314   1.588
  408    H    ARG  64           H        ARG  64  12.893  -1.851   0.056
  409    HA   ARG  64           HA       ARG  64  15.514  -0.815  -0.651
  410    HE   ARG  64           HE       ARG  64  14.222  -1.564  -4.428
  411    HB2  ARG  64           2HB      ARG  64  13.819  -1.477  -2.361
  412    HB3  ARG  64           1HB      ARG  64  12.789  -0.170  -1.801
  413    HG2  ARG  64           2HG      ARG  64  14.483   1.455  -2.478
  414    HG3  ARG  64           1HG      ARG  64  15.510   0.138  -3.053
  415    HD2  ARG  64           2HD      ARG  64  12.775   0.888  -4.085
  416    HD3  ARG  64           1HD      ARG  64  14.313   1.108  -4.921
  417   HH11  ARG  64          1HH1      ARG  64  12.127   0.706  -6.089
  418   HH12  ARG  64          2HH1      ARG  64  11.433  -0.509  -7.126
  419   HH21  ARG  64          1HH2      ARG  64  13.288  -3.163  -5.751
  420   HH22  ARG  64          2HH2      ARG  64  12.048  -2.720  -6.897
  421    H    ARG  65           H        ARG  65  12.390   0.471   0.423
  422    HA   ARG  65           HA       ARG  65  13.310   3.170   0.564
  423    HE   ARG  65           HE       ARG  65   9.369   5.622   3.018
  424    HB2  ARG  65           2HB      ARG  65  11.006   2.690   0.047
  425    HB3  ARG  65           1HB      ARG  65  10.809   1.805   1.551
  426    HG2  ARG  65           2HG      ARG  65  11.019   3.842   2.828
  427    HG3  ARG  65           1HG      ARG  65  11.358   4.760   1.357
  428    HD2  ARG  65           2HD      ARG  65   9.168   4.306   0.498
  429    HD3  ARG  65           1HD      ARG  65   8.823   3.205   1.828
  430   HH11  ARG  65          1HH1      ARG  65   7.148   4.523   0.549
  431   HH12  ARG  65          2HH1      ARG  65   5.848   5.563   1.052
  432   HH21  ARG  65          1HH2      ARG  65   7.669   7.006   3.696
  433   HH22  ARG  65          2HH2      ARG  65   6.153   6.983   2.853
  434    H    TYR  66           H        TYR  66  12.890   0.566   2.921
  435    HA   TYR  66           HA       TYR  66  13.444   2.425   5.098
  436    HD1  TYR  66           HD1      TYR  66  10.554   0.398   3.802
  437    HD2  TYR  66           HD2      TYR  66  11.634   1.841   7.657
  438    HE1  TYR  66           HE1      TYR  66   8.293   1.327   4.084
  439    HE2  TYR  66           HE2      TYR  66   9.380   2.768   7.947
  440    HH   TYR  66           HH       TYR  66   6.791   2.014   5.833
  441    HB2  TYR  66           2HB      TYR  66  12.569  -0.457   5.038
  442    HB3  TYR  66           1HB      TYR  66  13.067   0.340   6.528
  Start of MODEL   16
    1    H1   GLY   7           1H       GLY   7 -19.402   2.727   5.741
    2    HA2  GLY   7           2HA      GLY   7 -18.318   1.268   8.015
    3    HA3  GLY   7           1HA      GLY   7 -17.892   1.032   6.327
    4    H    ALA   8           H        ALA   8 -15.908   1.603   5.825
    5    HA   ALA   8           HA       ALA   8 -14.667   3.868   7.250
    6    HB1  ALA   8           3HB      ALA   8 -13.734   1.751   8.061
    7    HB2  ALA   8           1HB      ALA   8 -12.528   2.674   7.160
    8    HB3  ALA   8           2HB      ALA   8 -13.326   1.293   6.407
    9    H    LYS   9           H        LYS   9 -12.432   4.288   5.823
   10    HA   LYS   9           HA       LYS   9 -13.266   4.256   3.004
   11    HB2  LYS   9           2HB      LYS   9 -12.068   6.397   2.661
   12    HB3  LYS   9           1HB      LYS   9 -13.454   6.549   3.731
   13    HG2  LYS   9           2HG      LYS   9 -12.145   6.920   5.599
   14    HG3  LYS   9           1HG      LYS   9 -10.726   6.155   4.882
   15    HD2  LYS   9           2HD      LYS   9 -10.638   8.670   5.074
   16    HD3  LYS   9           1HD      LYS   9 -10.321   8.013   3.469
   17    HE2  LYS   9           2HE      LYS   9 -11.766   9.952   3.317
   18    HE3  LYS   9           1HE      LYS   9 -12.638   8.505   2.820
   19    HZ1  LYS   9           3HZ      LYS   9 -12.907  10.031   5.344
   20    HZ2  LYS   9           1HZ      LYS   9 -13.511   8.453   5.181
   21    HZ3  LYS   9           2HZ      LYS   9 -14.100   9.689   4.187
   22    H    CYS  10           H        CYS  10 -11.679   3.984   1.504
   23    HA   CYS  10           HA       CYS  10  -9.602   2.220   2.221
   24    HB2  CYS  10           2HB      CYS  10 -10.755   2.297   0.026
   25    HB3  CYS  10           1HB      CYS  10  -9.962   3.828  -0.310
   26    H    GLY  11           H        GLY  11  -7.600   2.604   2.895
   27    HA2  GLY  11           2HA      GLY  11  -6.538   5.223   3.216
   28    HA3  GLY  11           1HA      GLY  11  -5.655   3.716   3.420
   29    H    ALA  12           H        ALA  12  -6.712   3.182   0.501
   30    HA   ALA  12           HA       ALA  12  -4.417   4.471  -0.790
   31    HB1  ALA  12           3HB      ALA  12  -4.561   2.055  -1.052
   32    HB2  ALA  12           1HB      ALA  12  -4.791   2.855  -2.607
   33    HB3  ALA  12           2HB      ALA  12  -6.181   2.210  -1.734
   34    H    CYS  13           H        CYS  13  -7.885   3.901  -1.294
   35    HA   CYS  13           HA       CYS  13  -7.990   5.913  -3.398
   36    HB2  CYS  13           2HB      CYS  13 -10.217   4.290  -2.144
   37    HB3  CYS  13           1HB      CYS  13 -10.330   5.245  -3.614
   38    H    GLU  14           H        GLU  14 -10.178   7.253  -3.181
   39    HA   GLU  14           HA       GLU  14 -10.367   8.374  -0.465
   40    HB2  GLU  14           2HB      GLU  14 -11.281  10.357  -1.432
   41    HB3  GLU  14           1HB      GLU  14  -9.873   9.947  -2.404
   42    HG2  GLU  14           2HG      GLU  14 -12.605   9.044  -3.174
   43    HG3  GLU  14           1HG      GLU  14 -12.038  10.656  -3.599
   44    H    LYS  15           H        LYS  15 -11.464   5.943  -1.952
   45    HA   LYS  15           HA       LYS  15 -14.327   6.471  -1.952
   46    HB2  LYS  15           2HB      LYS  15 -12.936   3.934  -2.805
   47    HB3  LYS  15           1HB      LYS  15 -14.544   4.494  -3.259
   48    HG2  LYS  15           2HG      LYS  15 -13.500   6.382  -4.464
   49    HG3  LYS  15           1HG      LYS  15 -11.915   5.714  -4.078
   50    HD2  LYS  15           2HD      LYS  15 -12.635   3.613  -5.267
   51    HD3  LYS  15           1HD      LYS  15 -14.062   4.502  -5.810
   52    HE2  LYS  15           2HE      LYS  15 -11.175   4.999  -6.475
   53    HE3  LYS  15           1HE      LYS  15 -12.525   4.705  -7.569
   54    HZ1  LYS  15           3HZ      LYS  15 -12.002   7.148  -5.970
   55    HZ2  LYS  15           1HZ      LYS  15 -13.461   6.863  -6.792
   56    HZ3  LYS  15           2HZ      LYS  15 -12.009   7.005  -7.660
   57    H    THR  16           H        THR  16 -15.725   4.715  -1.117
   58    HA   THR  16           HA       THR  16 -15.068   4.369   1.644
   59    HB   THR  16           HB       THR  16 -17.490   3.137   0.529
   60    HG1  THR  16           HG1      THR  16 -18.370   4.979  -0.191
   61   HG21  THR  16          3HG2      THR  16 -17.124   3.312   2.948
   62   HG22  THR  16          1HG2      THR  16 -18.536   4.243   2.450
   63   HG23  THR  16          2HG2      THR  16 -17.016   5.066   2.801
   64    H    VAL  17           H        VAL  17 -15.074   2.455   2.797
   65    HA   VAL  17           HA       VAL  17 -14.771  -0.027   1.243
   66    HB   VAL  17           HB       VAL  17 -13.110   1.041   3.505
   67   HG11  VAL  17          1HG1      VAL  17 -13.835  -1.179   4.241
   68   HG12  VAL  17          2HG1      VAL  17 -12.122  -1.173   3.827
   69   HG13  VAL  17          3HG1      VAL  17 -13.298  -1.866   2.711
   70   HG21  VAL  17          3HG2      VAL  17 -12.312   1.427   1.275
   71   HG22  VAL  17          1HG2      VAL  17 -12.466  -0.289   0.892
   72   HG23  VAL  17          2HG2      VAL  17 -11.275   0.249   2.080
   73    H    TYR  18           H        TYR  18 -16.142  -1.592   1.806
   74    HA   TYR  18           HA       TYR  18 -17.289  -1.544   4.519
   75    HD1  TYR  18           HD1      TYR  18 -19.782  -0.105   4.696
   76    HD2  TYR  18           HD2      TYR  18 -18.756  -0.586   0.596
   77    HE1  TYR  18           HE1      TYR  18 -20.620   2.158   4.225
   78    HE2  TYR  18           HE2      TYR  18 -19.593   1.668   0.112
   79    HH   TYR  18           HH       TYR  18 -20.317   3.924   2.551
   80    HB2  TYR  18           2HB      TYR  18 -18.745  -2.450   2.026
   81    HB3  TYR  18           1HB      TYR  18 -19.400  -2.364   3.654
   82    H    HIS  19           H        HIS  19 -18.636  -3.946   4.428
   83    HA   HIS  19           HA       HIS  19 -16.644  -5.776   5.064
   84    HD1  HIS  19           HD1      HIS  19 -20.825  -4.666   4.527
   85    HD2  HIS  19           HD2      HIS  19 -19.728  -8.316   2.863
   86    HE1  HIS  19           HE1      HIS  19 -22.564  -5.168   2.777
   87    HE2  HIS  19           HE2      HIS  19 -21.734  -7.254   1.629
   88    HB2  HIS  19           2HB      HIS  19 -18.402  -7.461   5.167
   89    HB3  HIS  19           1HB      HIS  19 -18.977  -5.944   5.851
   90    H    ALA  20           H        ALA  20 -18.071  -5.117   1.949
   91    HA   ALA  20           HA       ALA  20 -17.692  -7.669   0.784
   92    HB1  ALA  20           3HB      ALA  20 -17.927  -4.996  -0.588
   93    HB2  ALA  20           1HB      ALA  20 -19.284  -5.994  -0.060
   94    HB3  ALA  20           2HB      ALA  20 -18.197  -6.583  -1.319
   95    H    GLU  21           H        GLU  21 -15.735  -4.738   0.836
   96    HA   GLU  21           HA       GLU  21 -13.635  -6.223  -0.586
   97    HB2  GLU  21           2HB      GLU  21 -13.058  -4.136  -1.780
   98    HB3  GLU  21           1HB      GLU  21 -14.660  -4.733  -2.176
   99    HG2  GLU  21           2HG      GLU  21 -14.236  -2.596  -0.115
  100    HG3  GLU  21           1HG      GLU  21 -14.362  -2.221  -1.829
  101    H    GLU  22           H        GLU  22 -13.898  -5.824   2.270
  102    HA   GLU  22           HA       GLU  22 -11.758  -3.884   2.802
  103    HB2  GLU  22           2HB      GLU  22 -13.763  -3.571   4.161
  104    HB3  GLU  22           1HB      GLU  22 -13.652  -5.234   4.731
  105    HG2  GLU  22           2HG      GLU  22 -11.341  -4.593   5.601
  106    HG3  GLU  22           1HG      GLU  22 -11.842  -2.924   5.337
  107    H    ILE  23           H        ILE  23  -9.770  -4.578   3.178
  108    HA   ILE  23           HA       ILE  23  -9.536  -6.936   4.926
  109    HB   ILE  23           HB       ILE  23  -7.549  -6.075   2.810
  110   HG12  ILE  23          2HG1      ILE  23  -7.897  -8.775   2.557
  111   HG13  ILE  23          1HG1      ILE  23  -9.505  -8.262   3.056
  112   HG21  ILE  23          1HG2      ILE  23  -6.346  -6.597   4.844
  113   HG22  ILE  23          2HG2      ILE  23  -6.095  -7.870   3.649
  114   HG23  ILE  23          3HG2      ILE  23  -7.212  -8.128   4.993
  115   HD11  ILE  23          3HD1      ILE  23  -9.331  -8.322   0.650
  116   HD12  ILE  23          1HD1      ILE  23  -7.958  -7.215   0.705
  117   HD13  ILE  23          2HD1      ILE  23  -9.557  -6.663   1.209
  118    H    GLN  24           H        GLN  24  -8.979  -6.286   6.895
  119    HA   GLN  24           HA       GLN  24  -7.767  -3.689   7.278
  120    HB2  GLN  24           2HB      GLN  24  -8.734  -5.816   9.187
  121    HB3  GLN  24           1HB      GLN  24  -7.888  -4.372   9.734
  122    HG2  GLN  24           2HG      GLN  24  -9.604  -2.964   8.782
  123    HG3  GLN  24           1HG      GLN  24 -10.436  -4.373   8.131
  124   HE21  GLN  24          1HE2      GLN  24 -12.308  -3.851   9.246
  125   HE22  GLN  24          2HE2      GLN  24 -12.453  -4.094  10.953
  126    H    CYS  25           H        CYS  25  -5.715  -3.561   6.774
  127    HA   CYS  25           HA       CYS  25  -3.940  -5.826   7.307
  128    HG   CYS  25           HG       CYS  25  -5.806  -4.334   4.877
  129    HB2  CYS  25           2HB      CYS  25  -3.098  -3.360   5.828
  130    HB3  CYS  25           1HB      CYS  25  -2.573  -5.024   5.609
  131    H    ASN  26           H        ASN  26  -2.944  -5.802   9.158
  132    HA   ASN  26           HA       ASN  26  -1.722  -5.178  10.957
  133    HB2  ASN  26           2HB      ASN  26  -0.408  -3.827   9.237
  134    HB3  ASN  26           1HB      ASN  26  -1.355  -2.437   9.748
  135   HD21  ASN  26          1HD2      ASN  26  -0.962  -1.512  11.742
  136   HD22  ASN  26          2HD2      ASN  26   0.410  -1.925  12.710
  137    H    GLY  27           H        GLY  27  -3.556  -2.286   9.933
  138    HA2  GLY  27           2HA      GLY  27  -5.462  -2.598  12.020
  139    HA3  GLY  27           1HA      GLY  27  -4.276  -1.376  12.456
  140    H    ARG  28           H        ARG  28  -5.093  -1.803   9.104
  141    HA   ARG  28           HA       ARG  28  -6.923   0.492   9.216
  142    HE   ARG  28           HE       ARG  28  -6.802   1.699  10.190
  143    HB2  ARG  28           2HB      ARG  28  -4.506   0.241   7.422
  144    HB3  ARG  28           1HB      ARG  28  -5.778   1.430   7.195
  145    HG2  ARG  28           2HG      ARG  28  -4.214   1.253   9.748
  146    HG3  ARG  28           1HG      ARG  28  -3.639   2.175   8.360
  147    HD2  ARG  28           2HD      ARG  28  -4.759   3.731   9.729
  148    HD3  ARG  28           1HD      ARG  28  -5.865   3.380   8.404
  149   HH11  ARG  28          1HH1      ARG  28  -5.681   4.981  10.675
  150   HH12  ARG  28          2HH1      ARG  28  -6.699   5.260  12.053
  151   HH21  ARG  28          1HH2      ARG  28  -8.172   2.076  11.985
  152   HH22  ARG  28          2HH2      ARG  28  -8.131   3.618  12.785
  153    H    SER  29           H        SER  29  -8.574   0.426   7.762
  154    HA   SER  29           HA       SER  29  -9.010  -2.027   6.320
  155    HG   SER  29           HG       SER  29 -11.616  -1.741   7.687
  156    HB2  SER  29           2HB      SER  29 -10.668   0.506   6.433
  157    HB3  SER  29           1HB      SER  29 -11.194  -1.033   5.752
  158    H    PHE  30           H        PHE  30  -8.490  -2.408   4.271
  159    HA   PHE  30           HA       PHE  30  -8.327  -0.152   2.389
  160    HD1  PHE  30           HD2      PHE  30  -5.983   1.094   1.980
  161    HD2  PHE  30           HD1      PHE  30  -5.183  -2.313   4.402
  162    HE1  PHE  30           HE2      PHE  30  -4.379   2.410   3.302
  163    HE2  PHE  30           HE1      PHE  30  -3.584  -0.999   5.731
  164    HZ   PHE  30           HZ       PHE  30  -3.178   1.365   5.179
  165    HB2  PHE  30           2HB      PHE  30  -6.483  -2.554   2.503
  166    HB3  PHE  30           1HB      PHE  30  -6.466  -1.325   1.243
  167    H    HIS  31           H        HIS  31  -8.542  -0.952   0.066
  168    HA   HIS  31           HA       HIS  31 -10.819  -2.676  -0.110
  169    HD2  HIS  31           HD2      HIS  31 -12.755  -1.557  -0.683
  170    HE1  HIS  31           HE1      HIS  31 -12.225   2.241  -2.457
  171    HE2  HIS  31           HE2      HIS  31 -13.728   0.830  -0.994
  172    HB2  HIS  31           2HB      HIS  31  -9.149  -1.298  -2.201
  173    HB3  HIS  31           1HB      HIS  31 -10.362  -2.490  -2.653
  174    H    LYS  32           H        LYS  32 -10.943  -4.564  -1.488
  175    HA   LYS  32           HA       LYS  32  -9.019  -6.521  -0.864
  176    HB2  LYS  32           2HB      LYS  32 -11.423  -6.937  -1.357
  177    HB3  LYS  32           1HB      LYS  32 -11.113  -6.560  -3.043
  178    HG2  LYS  32           2HG      LYS  32  -9.727  -8.487  -3.292
  179    HG3  LYS  32           1HG      LYS  32  -9.777  -8.808  -1.555
  180    HD2  LYS  32           2HD      LYS  32 -12.174  -8.827  -3.392
  181    HD3  LYS  32           1HD      LYS  32 -11.308 -10.264  -2.843
  182    HE2  LYS  32           2HE      LYS  32 -11.901  -9.828  -0.564
  183    HE3  LYS  32           1HE      LYS  32 -12.585  -8.260  -0.987
  184    HZ1  LYS  32           3HZ      LYS  32 -13.639 -10.835  -2.021
  185    HZ2  LYS  32           1HZ      LYS  32 -14.357  -9.304  -2.140
  186    HZ3  LYS  32           2HZ      LYS  32 -14.240 -10.071  -0.631
  187    H    THR  33           H        THR  33  -9.619  -4.611  -3.776
  188    HA   THR  33           HA       THR  33  -7.404  -5.775  -5.203
  189    HB   THR  33           HB       THR  33  -9.423  -4.846  -6.336
  190    HG1  THR  33           HG1      THR  33  -8.055  -4.770  -7.933
  191   HG21  THR  33          3HG2      THR  33  -9.770  -2.872  -4.962
  192   HG22  THR  33          1HG2      THR  33  -9.592  -2.423  -6.657
  193   HG23  THR  33          2HG2      THR  33  -8.248  -2.189  -5.538
  194    H    CYS  34           H        CYS  34  -7.821  -3.333  -2.880
  195    HA   CYS  34           HA       CYS  34  -5.328  -1.992  -3.577
  196    HB2  CYS  34           2HB      CYS  34  -7.392  -1.317  -1.470
  197    HB3  CYS  34           1HB      CYS  34  -5.974  -0.345  -1.857
  198    H    PHE  35           H        PHE  35  -5.720  -4.755  -2.289
  199    HA   PHE  35           HA       PHE  35  -4.184  -4.421   0.140
  200    HD1  PHE  35           HD2      PHE  35  -4.790  -5.753   2.184
  201    HD2  PHE  35           HD1      PHE  35  -3.396  -8.620  -0.631
  202    HE1  PHE  35           HE2      PHE  35  -3.558  -6.894   3.971
  203    HE2  PHE  35           HE1      PHE  35  -2.148  -9.769   1.158
  204    HZ   PHE  35           HZ       PHE  35  -2.224  -8.891   3.466
  205    HB2  PHE  35           2HB      PHE  35  -5.926  -6.210  -0.098
  206    HB3  PHE  35           1HB      PHE  35  -4.915  -6.984  -1.312
  207    H    HIS  36           H        HIS  36  -3.306  -3.806  -2.775
  208    HA   HIS  36           HA       HIS  36  -0.983  -5.518  -3.047
  209    HD1  HIS  36           HD1      HIS  36  -2.725  -6.647  -4.093
  210    HD2  HIS  36           HD2      HIS  36  -2.931  -3.880  -7.196
  211    HE1  HIS  36           HE1      HIS  36  -4.427  -7.555  -5.710
  212    HE2  HIS  36           HE2      HIS  36  -4.434  -5.938  -7.643
  213    HB2  HIS  36           2HB      HIS  36  -1.767  -3.135  -4.690
  214    HB3  HIS  36           1HB      HIS  36  -0.514  -4.289  -5.090
  215    H    CYS  37           H        CYS  37   1.128  -4.232  -3.627
  216    HA   CYS  37           HA       CYS  37   1.960  -2.904  -1.287
  217    HB2  CYS  37           2HB      CYS  37   3.485  -4.131  -2.808
  218    HB3  CYS  37           1HB      CYS  37   3.250  -2.883  -4.026
  219    H    MET  38           H        MET  38   1.714  -0.903  -0.677
  220    HA   MET  38           HA       MET  38   0.366   1.018  -2.293
  221    HB2  MET  38           2HB      MET  38   1.722   1.273   0.396
  222    HB3  MET  38           1HB      MET  38   0.745   2.533  -0.344
  223    HG2  MET  38           2HG      MET  38  -0.233  -0.214   0.393
  224    HG3  MET  38           1HG      MET  38  -0.470   1.246   1.352
  225    HE1  MET  38           3HE      MET  38  -2.758  -0.790   0.265
  226    HE2  MET  38           1HE      MET  38  -4.022   0.367  -0.151
  227    HE3  MET  38           2HE      MET  38  -3.088   0.576   1.330
  228    H    ALA  39           H        ALA  39   3.625   0.127  -1.996
  229    HA   ALA  39           HA       ALA  39   4.629   2.809  -2.523
  230    HB1  ALA  39           3HB      ALA  39   6.151   0.240  -2.143
  231    HB2  ALA  39           1HB      ALA  39   5.799   1.430  -0.892
  232    HB3  ALA  39           2HB      ALA  39   6.844   1.861  -2.245
  233    H    CYS  40           H        CYS  40   4.799  -0.420  -4.079
  234    HA   CYS  40           HA       CYS  40   5.314   1.050  -6.558
  235    HB2  CYS  40           2HB      CYS  40   6.104  -1.082  -7.530
  236    HB3  CYS  40           1HB      CYS  40   7.054  -0.577  -6.143
  237    H    ARG  41           H        ARG  41   4.082  -2.197  -6.469
  238    HA   ARG  41           HA       ARG  41   1.348  -1.778  -6.330
  239    HE   ARG  41           HE       ARG  41   0.334   0.491  -7.348
  240    HB2  ARG  41           2HB      ARG  41   1.817  -0.428  -8.444
  241    HB3  ARG  41           1HB      ARG  41   2.190  -1.953  -9.227
  242    HG2  ARG  41           2HG      ARG  41  -0.121  -1.079  -9.616
  243    HG3  ARG  41           1HG      ARG  41  -0.031  -2.729  -8.998
  244    HD2  ARG  41           2HD      ARG  41  -1.783  -1.418  -7.883
  245    HD3  ARG  41           1HD      ARG  41  -0.534  -1.962  -6.765
  246   HH11  ARG  41          1HH1      ARG  41  -2.860  -0.655  -6.533
  247   HH12  ARG  41          2HH1      ARG  41  -3.347   0.818  -5.752
  248   HH21  ARG  41          1HH2      ARG  41  -0.267   2.447  -6.299
  249   HH22  ARG  41          2HH2      ARG  41  -1.867   2.590  -5.625
  250    H    LYS  42           H        LYS  42   3.609  -3.636  -5.871
  251    HA   LYS  42           HA       LYS  42   3.226  -6.001  -7.389
  252    HB2  LYS  42           2HB      LYS  42   5.284  -5.419  -6.112
  253    HB3  LYS  42           1HB      LYS  42   4.391  -5.642  -4.620
  254    HG2  LYS  42           2HG      LYS  42   4.249  -7.967  -4.927
  255    HG3  LYS  42           1HG      LYS  42   4.725  -7.850  -6.624
  256    HD2  LYS  42           2HD      LYS  42   6.954  -7.184  -6.011
  257    HD3  LYS  42           1HD      LYS  42   6.502  -7.076  -4.313
  258    HE2  LYS  42           2HE      LYS  42   6.331  -9.643  -5.871
  259    HE3  LYS  42           1HE      LYS  42   7.798  -9.138  -5.034
  260    HZ1  LYS  42           3HZ      LYS  42   6.480  -9.042  -2.966
  261    HZ2  LYS  42           1HZ      LYS  42   6.539 -10.597  -3.634
  262    HZ3  LYS  42           2HZ      LYS  42   5.141  -9.653  -3.803
  263    H    ALA  43           H        ALA  43   1.942  -7.773  -7.007
  264    HA   ALA  43           HA       ALA  43  -0.336  -7.363  -5.276
  265    HB1  ALA  43           3HB      ALA  43  -0.647  -8.340  -7.493
  266    HB2  ALA  43           1HB      ALA  43  -1.162  -9.465  -6.236
  267    HB3  ALA  43           2HB      ALA  43   0.384  -9.700  -7.048
  268    H    LEU  44           H        LEU  44   0.154  -7.585  -3.161
  269    HA   LEU  44           HA       LEU  44   2.124  -9.408  -2.206
  270    HG   LEU  44           HG       LEU  44   2.300  -6.745   0.261
  271    HB2  LEU  44           2HB      LEU  44   0.258  -7.454  -0.967
  272    HB3  LEU  44           1HB      LEU  44   0.949  -8.698   0.055
  273   HD11  LEU  44          1HD1      LEU  44   4.472  -7.579  -0.512
  274   HD12  LEU  44          2HD1      LEU  44   3.649  -8.759  -1.531
  275   HD13  LEU  44          3HD1      LEU  44   3.500  -8.852   0.224
  276   HD21  LEU  44          3HD2      LEU  44   1.620  -5.630  -1.811
  277   HD22  LEU  44          1HD2      LEU  44   2.583  -6.780  -2.740
  278   HD23  LEU  44          2HD2      LEU  44   3.374  -5.660  -1.631
  279    H    ASP  45           H        ASP  45   1.927 -11.263  -1.090
  280    HA   ASP  45           HA       ASP  45  -0.726 -12.517  -1.049
  281    HB2  ASP  45           2HB      ASP  45   1.076 -13.781  -2.192
  282    HB3  ASP  45           1HB      ASP  45   2.014 -13.769  -0.701
  283    H    SER  46           H        SER  46  -1.175 -13.843   0.958
  284    HA   SER  46           HA       SER  46  -1.442 -12.121   3.069
  285    HG   SER  46           HG       SER  46  -3.351 -15.142   2.430
  286    HB2  SER  46           2HB      SER  46  -1.370 -15.133   3.270
  287    HB3  SER  46           1HB      SER  46  -2.217 -14.020   4.344
  288    H    THR  47           H        THR  47   1.224 -14.410   2.550
  289    HA   THR  47           HA       THR  47   2.273 -13.702   5.195
  290    HB   THR  47           HB       THR  47   3.834 -15.616   4.848
  291    HG1  THR  47           HG1      THR  47   3.381 -17.030   3.114
  292   HG21  THR  47          3HG2      THR  47   2.139 -17.349   5.197
  293   HG22  THR  47          1HG2      THR  47   0.892 -16.253   4.604
  294   HG23  THR  47          2HG2      THR  47   1.749 -15.885   6.102
  295    H    THR  48           H        THR  48   2.664 -12.593   2.096
  296    HA   THR  48           HA       THR  48   5.550 -12.165   2.464
  297    HB   THR  48           HB       THR  48   5.440 -11.422   0.005
  298    HG1  THR  48           HG1      THR  48   3.429 -13.061  -0.633
  299   HG21  THR  48          3HG2      THR  48   6.492 -13.500   0.751
  300   HG22  THR  48          1HG2      THR  48   5.642 -13.741  -0.776
  301   HG23  THR  48          2HG2      THR  48   4.925 -14.309   0.732
  302    H    VAL  49           H        VAL  49   2.581 -10.543   2.686
  303    HA   VAL  49           HA       VAL  49   3.530  -7.938   1.974
  304    HB   VAL  49           HB       VAL  49   1.218  -8.059   1.807
  305   HG11  VAL  49          1HG1      VAL  49   1.128  -9.275   4.574
  306   HG12  VAL  49          2HG1      VAL  49   0.877 -10.133   3.053
  307   HG13  VAL  49          3HG1      VAL  49  -0.277  -8.903   3.573
  308   HG21  VAL  49          3HG2      VAL  49   1.885  -6.010   2.922
  309   HG22  VAL  49          1HG2      VAL  49   1.722  -6.791   4.493
  310   HG23  VAL  49          2HG2      VAL  49   0.298  -6.535   3.483
  311    H    ALA  50           H        ALA  50   4.478  -6.427   3.153
  312    HA   ALA  50           HA       ALA  50   5.013  -7.030   5.988
  313    HB1  ALA  50           3HB      ALA  50   7.006  -5.620   5.758
  314    HB2  ALA  50           1HB      ALA  50   6.612  -5.339   4.063
  315    HB3  ALA  50           2HB      ALA  50   7.030  -6.963   4.615
  316    H    ALA  51           H        ALA  51   3.604  -5.949   7.192
  317    HA   ALA  51           HA       ALA  51   2.960  -3.173   6.474
  318    HB1  ALA  51           3HB      ALA  51   1.033  -4.692   6.639
  319    HB2  ALA  51           1HB      ALA  51   0.971  -3.410   7.847
  320    HB3  ALA  51           2HB      ALA  51   1.461  -5.037   8.316
  321    H    HIS  52           H        HIS  52   3.706  -1.583   7.713
  322    HA   HIS  52           HA       HIS  52   4.725  -2.269  10.392
  323    HD1  HIS  52           HD1      HIS  52   7.727   1.126   9.378
  324    HD2  HIS  52           HD2      HIS  52   6.783  -1.979  11.983
  325    HE1  HIS  52           HE1      HIS  52   8.966   1.626  11.511
  326    HE2  HIS  52           HE2      HIS  52   8.209  -0.147  13.134
  327    HB2  HIS  52           2HB      HIS  52   6.613  -2.052   8.807
  328    HB3  HIS  52           1HB      HIS  52   6.071  -0.429   8.396
  329    H    GLU  53           H        GLU  53   3.544  -1.265  11.807
  330    HA   GLU  53           HA       GLU  53   2.668   0.401  13.060
  331    HB2  GLU  53           2HB      GLU  53   3.663   2.334  10.956
  332    HB3  GLU  53           1HB      GLU  53   3.123   2.743  12.578
  333    HG2  GLU  53           2HG      GLU  53   5.548   1.108  11.865
  334    HG3  GLU  53           1HG      GLU  53   5.540   2.775  12.434
  335    H    SER  54           H        SER  54   2.123   1.105   9.623
  336    HA   SER  54           HA       SER  54  -0.723   0.865   9.923
  337    HG   SER  54           HG       SER  54  -1.596   3.329   8.311
  338    HB2  SER  54           2HB      SER  54  -0.272   3.156  10.818
  339    HB3  SER  54           1HB      SER  54   0.411   3.595   9.254
  340    H    GLU  55           H        GLU  55   2.120   1.443   8.015
  341    HA   GLU  55           HA       GLU  55   0.660   1.447   5.502
  342    HB2  GLU  55           2HB      GLU  55   3.578   1.761   6.186
  343    HB3  GLU  55           1HB      GLU  55   2.979   1.705   4.534
  344    HG2  GLU  55           2HG      GLU  55   2.060   3.708   6.575
  345    HG3  GLU  55           1HG      GLU  55   3.386   3.992   5.449
  346    H    ILE  56           H        ILE  56   1.020  -0.054   3.842
  347    HA   ILE  56           HA       ILE  56   2.245  -2.612   4.629
  348    HB   ILE  56           HB       ILE  56   0.155  -3.460   4.666
  349   HG12  ILE  56          2HG1      ILE  56   0.396  -3.083   1.673
  350   HG13  ILE  56          1HG1      ILE  56   0.996  -4.452   2.605
  351   HG21  ILE  56          1HG2      ILE  56  -0.791  -1.166   2.968
  352   HG22  ILE  56          2HG2      ILE  56  -0.884  -1.283   4.725
  353   HG23  ILE  56          3HG2      ILE  56  -1.825  -2.383   3.716
  354   HD11  ILE  56          3HD1      ILE  56  -1.302  -5.065   3.171
  355   HD12  ILE  56          1HD1      ILE  56  -1.051  -5.009   1.426
  356   HD13  ILE  56          2HD1      ILE  56  -1.896  -3.691   2.237
  357    H    TYR  57           H        TYR  57   3.741  -3.334   3.209
  358    HA   TYR  57           HA       TYR  57   3.536  -2.520   0.403
  359    HD1  TYR  57           HD2      TYR  57   3.943   0.056   0.013
  360    HD2  TYR  57           HD1      TYR  57   6.268  -0.675   3.494
  361    HE1  TYR  57           HE2      TYR  57   3.514   2.358   0.775
  362    HE2  TYR  57           HE1      TYR  57   5.855   1.616   4.267
  363    HH   TYR  57           HH       TYR  57   3.477   3.606   2.996
  364    HB2  TYR  57           2HB      TYR  57   6.148  -2.293   1.910
  365    HB3  TYR  57           1HB      TYR  57   5.835  -1.819   0.249
  366    H    CYS  58           H        CYS  58   5.256  -3.611  -0.920
  367    HA   CYS  58           HA       CYS  58   5.478  -6.396  -0.248
  368    HB2  CYS  58           2HB      CYS  58   6.423  -6.692  -2.399
  369    HB3  CYS  58           1HB      CYS  58   5.206  -5.440  -2.609
  370    H    LYS  59           H        LYS  59   7.677  -7.470  -0.305
  371    HA   LYS  59           HA       LYS  59   9.248  -6.279   1.747
  372    HB2  LYS  59           2HB      LYS  59   9.764  -8.726   0.053
  373    HB3  LYS  59           1HB      LYS  59  10.741  -8.250   1.434
  374    HG2  LYS  59           2HG      LYS  59   8.695  -8.395   2.847
  375    HG3  LYS  59           1HG      LYS  59   7.845  -9.058   1.452
  376    HD2  LYS  59           2HD      LYS  59   9.410 -10.929   1.377
  377    HD3  LYS  59           1HD      LYS  59  10.294 -10.253   2.747
  378    HE2  LYS  59           2HE      LYS  59   8.235 -10.442   4.108
  379    HE3  LYS  59           1HE      LYS  59   7.439 -11.222   2.743
  380    HZ1  LYS  59           3HZ      LYS  59   8.285 -12.827   4.350
  381    HZ2  LYS  59           1HZ      LYS  59   9.861 -12.239   4.129
  382    HZ3  LYS  59           2HZ      LYS  59   9.054 -13.003   2.848
  383    H    VAL  60           H        VAL  60   9.262  -5.887  -1.605
  384    HA   VAL  60           HA       VAL  60  12.070  -5.386  -1.937
  385    HB   VAL  60           HB       VAL  60   9.756  -4.525  -3.689
  386   HG11  VAL  60          1HG1      VAL  60  11.466  -4.347  -5.457
  387   HG12  VAL  60          2HG1      VAL  60  12.714  -4.690  -4.258
  388   HG13  VAL  60          3HG1      VAL  60  11.748  -3.220  -4.132
  389   HG21  VAL  60          3HG2      VAL  60   9.826  -6.946  -3.432
  390   HG22  VAL  60          1HG2      VAL  60  11.530  -6.955  -3.883
  391   HG23  VAL  60          2HG2      VAL  60  10.309  -6.475  -5.061
  392    H    CYS  61           H        CYS  61   9.160  -3.332  -1.791
  393    HA   CYS  61           HA       CYS  61  10.627  -0.897  -1.652
  394    HB2  CYS  61           2HB      CYS  61   7.759  -1.459  -0.894
  395    HB3  CYS  61           1HB      CYS  61   8.465   0.136  -1.117
  396    H    TYR  62           H        TYR  62   9.343  -3.125   0.702
  397    HA   TYR  62           HA       TYR  62   9.509  -1.551   3.005
  398    HD1  TYR  62           HD2      TYR  62   7.426  -2.557   4.536
  399    HD2  TYR  62           HD1      TYR  62  11.011  -4.781   5.095
  400    HE1  TYR  62           HE2      TYR  62   7.049  -2.542   6.963
  401    HE2  TYR  62           HE1      TYR  62  10.635  -4.781   7.525
  402    HH   TYR  62           HH       TYR  62   7.734  -4.084   8.922
  403    HB2  TYR  62           2HB      TYR  62   8.503  -3.892   2.685
  404    HB3  TYR  62           1HB      TYR  62  10.134  -4.501   2.921
  405    H    GLY  63           H        GLY  63  11.915  -3.837   1.675
  406    HA2  GLY  63           2HA      GLY  63  13.947  -3.012   3.525
  407    HA3  GLY  63           1HA      GLY  63  14.168  -4.068   2.134
  408    H    ARG  64           H        ARG  64  12.769  -1.758   0.597
  409    HA   ARG  64           HA       ARG  64  15.147  -0.477  -0.324
  410    HE   ARG  64           HE       ARG  64  13.983   2.678  -4.093
  411    HB2  ARG  64           2HB      ARG  64  13.226  -0.925  -1.794
  412    HB3  ARG  64           1HB      ARG  64  12.235   0.162  -0.835
  413    HG2  ARG  64           2HG      ARG  64  13.737   2.021  -1.473
  414    HG3  ARG  64           1HG      ARG  64  14.606   0.906  -2.531
  415    HD2  ARG  64           2HD      ARG  64  12.482   0.447  -3.719
  416    HD3  ARG  64           1HD      ARG  64  11.692   1.657  -2.711
  417   HH11  ARG  64          1HH1      ARG  64  10.562   1.994  -4.371
  418   HH12  ARG  64          2HH1      ARG  64  10.302   3.140  -5.652
  419   HH21  ARG  64          1HH2      ARG  64  13.655   4.184  -5.764
  420   HH22  ARG  64          2HH2      ARG  64  12.070   4.386  -6.451
  421    H    ARG  65           H        ARG  65  12.286   0.635   1.471
  422    HA   ARG  65           HA       ARG  65  13.371   3.254   1.883
  423    HE   ARG  65           HE       ARG  65   9.745   4.741   1.639
  424    HB2  ARG  65           2HB      ARG  65  10.960   2.898   1.731
  425    HB3  ARG  65           1HB      ARG  65  11.003   1.883   3.166
  426    HG2  ARG  65           2HG      ARG  65  11.655   3.767   4.525
  427    HG3  ARG  65           1HG      ARG  65  11.742   4.801   3.099
  428    HD2  ARG  65           2HD      ARG  65   9.262   3.442   4.149
  429    HD3  ARG  65           1HD      ARG  65   9.661   5.151   4.335
  430   HH11  ARG  65          1HH1      ARG  65   7.340   4.215   4.125
  431   HH12  ARG  65          2HH1      ARG  65   5.986   4.408   3.055
  432   HH21  ARG  65          1HH2      ARG  65   7.986   5.005   0.222
  433   HH22  ARG  65          2HH2      ARG  65   6.354   4.888   0.812
  434    H    TYR  66           H        TYR  66  12.964   0.357   3.897
  435    HA   TYR  66           HA       TYR  66  14.168   1.721   6.167
  436    HD1  TYR  66           HD1      TYR  66  12.601   1.285   8.643
  437    HD2  TYR  66           HD2      TYR  66  10.839  -0.323   5.120
  438    HE1  TYR  66           HE1      TYR  66  10.435   2.237   9.300
  439    HE2  TYR  66           HE2      TYR  66   8.663   0.627   5.767
  440    HH   TYR  66           HH       TYR  66   8.331   2.937   8.253
  441    HB2  TYR  66           2HB      TYR  66  13.025  -1.056   5.850
  442    HB3  TYR  66           1HB      TYR  66  13.731  -0.456   7.347
  Start of MODEL   17
    1    H1   GLY   7           1H       GLY   7 -18.552  -0.031   7.730
    2    HA2  GLY   7           2HA      GLY   7 -17.905   0.920   5.103
    3    HA3  GLY   7           1HA      GLY   7 -19.006   1.676   6.250
    4    H    ALA   8           H        ALA   8 -15.623   1.270   5.406
    5    HA   ALA   8           HA       ALA   8 -15.006   3.746   6.898
    6    HB1  ALA   8           3HB      ALA   8 -12.717   2.865   7.132
    7    HB2  ALA   8           1HB      ALA   8 -13.215   1.383   6.316
    8    HB3  ALA   8           2HB      ALA   8 -13.913   1.807   7.880
    9    H    LYS   9           H        LYS   9 -12.604   4.425   5.883
   10    HA   LYS   9           HA       LYS   9 -13.093   4.626   2.996
   11    HB2  LYS   9           2HB      LYS   9 -11.940   6.727   2.960
   12    HB3  LYS   9           1HB      LYS   9 -13.135   6.804   4.240
   13    HG2  LYS   9           2HG      LYS   9 -11.355   7.773   5.271
   14    HG3  LYS   9           1HG      LYS   9 -11.103   6.095   5.747
   15    HD2  LYS   9           2HD      LYS   9  -9.005   7.084   5.016
   16    HD3  LYS   9           1HD      LYS   9  -9.512   5.830   3.885
   17    HE2  LYS   9           2HE      LYS   9 -10.476   7.631   2.436
   18    HE3  LYS   9           1HE      LYS   9  -9.757   8.816   3.529
   19    HZ1  LYS   9           3HZ      LYS   9  -7.570   7.848   3.029
   20    HZ2  LYS   9           1HZ      LYS   9  -8.326   8.447   1.630
   21    HZ3  LYS   9           2HZ      LYS   9  -8.297   6.777   1.935
   22    H    CYS  10           H        CYS  10 -11.460   4.127   1.621
   23    HA   CYS  10           HA       CYS  10  -9.748   2.073   2.419
   24    HB2  CYS  10           2HB      CYS  10 -10.676   2.458   0.135
   25    HB3  CYS  10           1HB      CYS  10  -9.578   3.812  -0.043
   26    H    GLY  11           H        GLY  11  -7.791   2.101   3.297
   27    HA2  GLY  11           2HA      GLY  11  -6.341   4.408   3.957
   28    HA3  GLY  11           1HA      GLY  11  -5.681   2.779   3.904
   29    H    ALA  12           H        ALA  12  -6.742   2.999   0.909
   30    HA   ALA  12           HA       ALA  12  -4.332   4.368  -0.093
   31    HB1  ALA  12           3HB      ALA  12  -5.893   2.140  -1.390
   32    HB2  ALA  12           1HB      ALA  12  -4.354   1.963  -0.547
   33    HB3  ALA  12           2HB      ALA  12  -4.441   2.905  -2.036
   34    H    CYS  13           H        CYS  13  -7.736   3.658  -0.868
   35    HA   CYS  13           HA       CYS  13  -7.847   5.764  -2.865
   36    HB2  CYS  13           2HB      CYS  13 -10.069   4.090  -1.672
   37    HB3  CYS  13           1HB      CYS  13 -10.217   5.146  -3.066
   38    H    GLU  14           H        GLU  14  -9.325   7.570  -2.726
   39    HA   GLU  14           HA       GLU  14 -10.098   8.394  -0.044
   40    HB2  GLU  14           2HB      GLU  14 -10.043   9.649  -2.718
   41    HB3  GLU  14           1HB      GLU  14 -11.311  10.179  -1.620
   42    HG2  GLU  14           2HG      GLU  14  -9.192  11.494  -1.586
   43    HG3  GLU  14           1HG      GLU  14  -9.771  10.938  -0.027
   44    H    LYS  15           H        LYS  15 -11.100   6.177  -2.073
   45    HA   LYS  15           HA       LYS  15 -13.957   6.591  -2.087
   46    HB2  LYS  15           2HB      LYS  15 -12.534   3.997  -2.663
   47    HB3  LYS  15           1HB      LYS  15 -14.085   4.545  -3.276
   48    HG2  LYS  15           2HG      LYS  15 -12.995   6.173  -4.685
   49    HG3  LYS  15           1HG      LYS  15 -11.421   5.739  -4.011
   50    HD2  LYS  15           2HD      LYS  15 -11.893   3.379  -4.824
   51    HD3  LYS  15           1HD      LYS  15 -13.232   4.073  -5.741
   52    HE2  LYS  15           2HE      LYS  15 -11.294   3.879  -7.166
   53    HE3  LYS  15           1HE      LYS  15 -11.636   5.579  -6.863
   54    HZ1  LYS  15           3HZ      LYS  15  -9.575   3.983  -5.430
   55    HZ2  LYS  15           1HZ      LYS  15  -9.875   5.640  -5.238
   56    HZ3  LYS  15           2HZ      LYS  15  -9.261   5.058  -6.705
   57    H    THR  16           H        THR  16 -15.364   4.827  -1.174
   58    HA   THR  16           HA       THR  16 -14.551   4.296   1.557
   59    HB   THR  16           HB       THR  16 -17.018   3.203   1.320
   60    HG1  THR  16           HG1      THR  16 -18.148   4.145  -0.230
   61   HG21  THR  16          3HG2      THR  16 -17.873   5.305   2.276
   62   HG22  THR  16          1HG2      THR  16 -16.371   6.112   1.821
   63   HG23  THR  16          2HG2      THR  16 -16.351   4.820   3.021
   64    H    VAL  17           H        VAL  17 -14.391   2.322   2.496
   65    HA   VAL  17           HA       VAL  17 -14.200  -0.013   0.727
   66    HB   VAL  17           HB       VAL  17 -13.136   0.514   3.507
   67   HG11  VAL  17          1HG1      VAL  17 -13.914  -1.804   3.401
   68   HG12  VAL  17          2HG1      VAL  17 -12.151  -1.725   3.451
   69   HG13  VAL  17          3HG1      VAL  17 -12.977  -2.052   1.927
   70   HG21  VAL  17          3HG2      VAL  17 -11.759  -0.085   0.900
   71   HG22  VAL  17          1HG2      VAL  17 -10.962   0.149   2.456
   72   HG23  VAL  17          2HG2      VAL  17 -11.838   1.485   1.706
   73    H    TYR  18           H        TYR  18 -15.483  -1.793   1.030
   74    HA   TYR  18           HA       TYR  18 -17.412  -1.724   3.252
   75    HD1  TYR  18           HD2      TYR  18 -19.813  -0.206   2.755
   76    HD2  TYR  18           HD1      TYR  18 -17.665  -0.579  -0.895
   77    HE1  TYR  18           HE2      TYR  18 -20.369   2.121   2.201
   78    HE2  TYR  18           HE1      TYR  18 -18.219   1.750  -1.465
   79    HH   TYR  18           HH       TYR  18 -19.549   3.934   0.815
   80    HB2  TYR  18           2HB      TYR  18 -18.135  -2.507   0.415
   81    HB3  TYR  18           1HB      TYR  18 -19.220  -2.427   1.796
   82    H    HIS  19           H        HIS  19 -18.586  -4.057   3.198
   83    HA   HIS  19           HA       HIS  19 -16.513  -5.950   3.578
   84    HD1  HIS  19           HD1      HIS  19 -21.029  -5.369   4.440
   85    HD2  HIS  19           HD2      HIS  19 -19.719  -8.090   1.569
   86    HE1  HIS  19           HE1      HIS  19 -23.048  -5.928   3.052
   87    HE2  HIS  19           HE2      HIS  19 -22.236  -7.561   1.312
   88    HB2  HIS  19           2HB      HIS  19 -18.213  -7.577   4.085
   89    HB3  HIS  19           1HB      HIS  19 -18.673  -6.047   4.810
   90    H    ALA  20           H        ALA  20 -18.078  -4.872   0.815
   91    HA   ALA  20           HA       ALA  20 -18.080  -6.996  -0.946
   92    HB1  ALA  20           3HB      ALA  20 -17.741  -5.350  -2.715
   93    HB2  ALA  20           1HB      ALA  20 -17.216  -4.162  -1.525
   94    HB3  ALA  20           2HB      ALA  20 -18.880  -4.746  -1.511
   95    H    GLU  21           H        GLU  21 -15.363  -5.031   0.181
   96    HA   GLU  21           HA       GLU  21 -13.564  -7.175  -0.386
   97    HB2  GLU  21           2HB      GLU  21 -12.079  -5.998  -1.887
   98    HB3  GLU  21           1HB      GLU  21 -13.660  -6.178  -2.609
   99    HG2  GLU  21           2HG      GLU  21 -14.129  -3.807  -2.076
  100    HG3  GLU  21           1HG      GLU  21 -12.503  -3.674  -1.406
  101    H    GLU  22           H        GLU  22 -14.056  -6.375   2.004
  102    HA   GLU  22           HA       GLU  22 -12.216  -4.286   2.843
  103    HB2  GLU  22           2HB      GLU  22 -14.412  -4.387   3.909
  104    HB3  GLU  22           1HB      GLU  22 -14.110  -6.042   4.419
  105    HG2  GLU  22           2HG      GLU  22 -12.103  -5.089   5.687
  106    HG3  GLU  22           1HG      GLU  22 -12.851  -3.515   5.423
  107    H    ILE  23           H        ILE  23 -10.171  -4.711   3.317
  108    HA   ILE  23           HA       ILE  23  -9.623  -7.157   4.869
  109    HB   ILE  23           HB       ILE  23  -7.856  -5.893   2.762
  110   HG12  ILE  23          2HG1      ILE  23  -8.518  -8.804   3.076
  111   HG13  ILE  23          1HG1      ILE  23  -9.626  -7.719   2.232
  112   HG21  ILE  23          1HG2      ILE  23  -7.109  -7.967   4.822
  113   HG22  ILE  23          2HG2      ILE  23  -6.503  -6.313   4.739
  114   HG23  ILE  23          3HG2      ILE  23  -6.104  -7.464   3.464
  115   HD11  ILE  23          3HD1      ILE  23  -6.761  -8.293   1.502
  116   HD12  ILE  23          1HD1      ILE  23  -7.821  -7.162   0.661
  117   HD13  ILE  23          2HD1      ILE  23  -8.197  -8.885   0.668
  118    H    GLN  24           H        GLN  24  -9.081  -6.613   6.892
  119    HA   GLN  24           HA       GLN  24  -7.988  -3.941   7.384
  120    HB2  GLN  24           2HB      GLN  24  -9.028  -6.018   9.330
  121    HB3  GLN  24           1HB      GLN  24  -8.455  -4.412   9.768
  122    HG2  GLN  24           2HG      GLN  24 -10.247  -3.457   8.336
  123    HG3  GLN  24           1HG      GLN  24 -10.863  -5.090   8.103
  124   HE21  GLN  24          1HE2      GLN  24  -9.476  -3.986  11.104
  125   HE22  GLN  24          2HE2      GLN  24 -10.948  -3.969  12.015
  126    H    CYS  25           H        CYS  25  -5.852  -3.911   7.115
  127    HA   CYS  25           HA       CYS  25  -4.308  -6.212   8.110
  128    HG   CYS  25           HG       CYS  25  -1.472  -5.780   5.043
  129    HB2  CYS  25           2HB      CYS  25  -4.246  -6.018   5.665
  130    HB3  CYS  25           1HB      CYS  25  -3.671  -4.360   5.806
  131    H    ASN  26           H        ASN  26  -3.109  -5.797   9.792
  132    HA   ASN  26           HA       ASN  26  -1.547  -4.884  11.142
  133    HB2  ASN  26           2HB      ASN  26  -0.409  -4.253   9.022
  134    HB3  ASN  26           1HB      ASN  26  -1.248  -2.708   9.068
  135   HD21  ASN  26          1HD2      ASN  26   0.734  -1.629   9.127
  136   HD22  ASN  26          2HD2      ASN  26   1.672  -1.550  10.577
  137    H    GLY  27           H        GLY  27  -3.690  -2.374   9.772
  138    HA2  GLY  27           2HA      GLY  27  -4.417  -1.617  12.483
  139    HA3  GLY  27           1HA      GLY  27  -3.560  -0.387  11.572
  140    H    ARG  28           H        ARG  28  -4.692  -0.716   9.039
  141    HA   ARG  28           HA       ARG  28  -7.404   0.253   9.649
  142    HE   ARG  28           HE       ARG  28  -5.897   4.204  11.333
  143    HB2  ARG  28           2HB      ARG  28  -5.467   1.254   7.558
  144    HB3  ARG  28           1HB      ARG  28  -7.129   1.804   7.727
  145    HG2  ARG  28           2HG      ARG  28  -4.907   2.119   9.730
  146    HG3  ARG  28           1HG      ARG  28  -5.678   3.394   8.780
  147    HD2  ARG  28           2HD      ARG  28  -7.718   3.161   9.952
  148    HD3  ARG  28           1HD      ARG  28  -7.205   1.642  10.686
  149   HH11  ARG  28          1HH1      ARG  28  -7.533   1.263  12.320
  150   HH12  ARG  28          2HH1      ARG  28  -7.168   1.474  14.006
  151   HH21  ARG  28          1HH2      ARG  28  -5.427   4.494  13.538
  152   HH22  ARG  28          2HH2      ARG  28  -5.981   3.330  14.706
  153    H    SER  29           H        SER  29  -8.699   0.467   7.495
  154    HA   SER  29           HA       SER  29  -8.806  -2.252   6.410
  155    HG   SER  29           HG       SER  29 -11.819  -1.529   8.036
  156    HB2  SER  29           2HB      SER  29 -10.925  -0.094   6.280
  157    HB3  SER  29           1HB      SER  29 -11.133  -1.820   5.974
  158    H    PHE  30           H        PHE  30  -8.415  -2.653   4.344
  159    HA   PHE  30           HA       PHE  30  -8.304  -0.400   2.445
  160    HD1  PHE  30           HD1      PHE  30  -5.892   0.812   2.887
  161    HD2  PHE  30           HD2      PHE  30  -5.331  -3.162   4.296
  162    HE1  PHE  30           HE1      PHE  30  -4.407   1.651   4.660
  163    HE2  PHE  30           HE2      PHE  30  -3.850  -2.328   6.072
  164    HZ   PHE  30           HZ       PHE  30  -3.385   0.080   6.255
  165    HB2  PHE  30           2HB      PHE  30  -6.486  -2.811   2.322
  166    HB3  PHE  30           1HB      PHE  30  -6.325  -1.285   1.459
  167    H    HIS  31           H        HIS  31  -8.660  -1.073   0.190
  168    HA   HIS  31           HA       HIS  31 -10.723  -3.016  -0.094
  169    HD2  HIS  31           HD2      HIS  31 -12.691  -1.828  -0.589
  170    HE1  HIS  31           HE1      HIS  31 -12.200   1.993  -2.310
  171    HE2  HIS  31           HE2      HIS  31 -13.703   0.544  -0.903
  172    HB2  HIS  31           2HB      HIS  31  -9.082  -1.494  -2.111
  173    HB3  HIS  31           1HB      HIS  31 -10.286  -2.684  -2.590
  174    H    LYS  32           H        LYS  32 -10.635  -4.920  -1.473
  175    HA   LYS  32           HA       LYS  32  -8.396  -6.603  -1.094
  176    HB2  LYS  32           2HB      LYS  32 -10.656  -7.488  -1.532
  177    HB3  LYS  32           1HB      LYS  32 -10.618  -6.800  -3.148
  178    HG2  LYS  32           2HG      LYS  32  -8.653  -8.250  -3.642
  179    HG3  LYS  32           1HG      LYS  32  -8.901  -9.022  -2.078
  180    HD2  LYS  32           2HD      LYS  32 -11.051  -8.876  -4.177
  181    HD3  LYS  32           1HD      LYS  32  -9.890 -10.198  -4.096
  182    HE2  LYS  32           2HE      LYS  32 -11.807 -10.965  -2.959
  183    HE3  LYS  32           1HE      LYS  32 -10.646 -10.538  -1.703
  184    HZ1  LYS  32           3HZ      LYS  32 -11.813  -8.503  -1.305
  185    HZ2  LYS  32           1HZ      LYS  32 -12.924  -9.777  -1.237
  186    HZ3  LYS  32           2HZ      LYS  32 -12.865  -8.781  -2.608
  187    H    THR  33           H        THR  33  -9.423  -4.443  -3.640
  188    HA   THR  33           HA       THR  33  -7.278  -5.090  -5.434
  189    HB   THR  33           HB       THR  33  -8.030  -2.871  -6.511
  190    HG1  THR  33           HG1      THR  33 -10.280  -3.300  -4.799
  191   HG21  THR  33          3HG2      THR  33  -9.942  -5.194  -6.265
  192   HG22  THR  33          1HG2      THR  33  -8.622  -5.042  -7.424
  193   HG23  THR  33          2HG2      THR  33 -10.008  -3.956  -7.518
  194    H    CYS  34           H        CYS  34  -7.353  -3.474  -2.554
  195    HA   CYS  34           HA       CYS  34  -5.012  -1.852  -3.289
  196    HB2  CYS  34           2HB      CYS  34  -7.080  -1.169  -1.195
  197    HB3  CYS  34           1HB      CYS  34  -5.743  -0.153  -1.739
  198    H    PHE  35           H        PHE  35  -5.569  -4.612  -2.016
  199    HA   PHE  35           HA       PHE  35  -4.266  -4.284   0.537
  200    HD1  PHE  35           HD1      PHE  35  -4.618  -5.453   2.527
  201    HD2  PHE  35           HD2      PHE  35  -3.765  -8.620  -0.183
  202    HE1  PHE  35           HE1      PHE  35  -3.519  -6.708   4.340
  203    HE2  PHE  35           HE2      PHE  35  -2.666  -9.875   1.617
  204    HZ   PHE  35           HZ       PHE  35  -2.438  -8.769   3.910
  205    HB2  PHE  35           2HB      PHE  35  -5.979  -6.046   0.237
  206    HB3  PHE  35           1HB      PHE  35  -4.930  -6.838  -0.940
  207    H    HIS  36           H        HIS  36  -3.369  -4.609  -2.679
  208    HA   HIS  36           HA       HIS  36  -0.806  -5.791  -2.057
  209    HD1  HIS  36           HD1      HIS  36  -3.584  -6.116  -5.663
  210    HD2  HIS  36           HD2      HIS  36  -1.270  -2.697  -5.138
  211    HE1  HIS  36           HE1      HIS  36  -4.603  -4.369  -7.154
  212    HE2  HIS  36           HE2      HIS  36  -3.289  -2.274  -6.702
  213    HB2  HIS  36           2HB      HIS  36  -0.314  -5.510  -4.490
  214    HB3  HIS  36           1HB      HIS  36  -1.708  -6.518  -4.139
  215    H    CYS  37           H        CYS  37   1.084  -4.513  -3.354
  216    HA   CYS  37           HA       CYS  37   1.785  -2.745  -1.371
  217    HB2  CYS  37           2HB      CYS  37   3.322  -3.993  -2.860
  218    HB3  CYS  37           1HB      CYS  37   2.968  -2.835  -4.136
  219    H    MET  38           H        MET  38   1.515  -0.741  -0.936
  220    HA   MET  38           HA       MET  38   0.003   1.045  -2.568
  221    HB2  MET  38           2HB      MET  38   1.662   1.669  -0.114
  222    HB3  MET  38           1HB      MET  38   0.387   2.666  -0.795
  223    HG2  MET  38           2HG      MET  38   0.006  -0.067   0.401
  224    HG3  MET  38           1HG      MET  38  -0.321   1.462   1.215
  225    HE1  MET  38           3HE      MET  38  -2.455  -0.842   1.036
  226    HE2  MET  38           1HE      MET  38  -3.903   0.075   0.623
  227    HE3  MET  38           2HE      MET  38  -2.759   0.719   1.801
  228    H    ALA  39           H        ALA  39   3.371   0.332  -2.171
  229    HA   ALA  39           HA       ALA  39   4.232   3.000  -2.892
  230    HB1  ALA  39           3HB      ALA  39   6.494   2.165  -2.520
  231    HB2  ALA  39           1HB      ALA  39   5.856   0.537  -2.298
  232    HB3  ALA  39           2HB      ALA  39   5.436   1.811  -1.153
  233    H    CYS  40           H        CYS  40   4.397  -0.262  -4.322
  234    HA   CYS  40           HA       CYS  40   4.969   1.103  -6.857
  235    HB2  CYS  40           2HB      CYS  40   5.963  -0.984  -7.700
  236    HB3  CYS  40           1HB      CYS  40   6.810  -0.393  -6.283
  237    H    ARG  41           H        ARG  41   3.985  -2.209  -6.619
  238    HA   ARG  41           HA       ARG  41   1.239  -1.946  -6.361
  239    HE   ARG  41           HE       ARG  41  -2.451  -0.517  -8.206
  240    HB2  ARG  41           2HB      ARG  41   1.863  -0.945  -8.807
  241    HB3  ARG  41           1HB      ARG  41   1.598  -2.638  -9.214
  242    HG2  ARG  41           2HG      ARG  41  -0.428  -1.239  -9.443
  243    HG3  ARG  41           1HG      ARG  41  -0.622  -2.565  -8.293
  244    HD2  ARG  41           2HD      ARG  41  -0.210  -1.031  -6.438
  245    HD3  ARG  41           1HD      ARG  41   0.021   0.296  -7.577
  246   HH11  ARG  41          1HH1      ARG  41  -0.978   0.091  -5.074
  247   HH12  ARG  41          2HH1      ARG  41  -2.451   0.656  -4.352
  248   HH21  ARG  41          1HH2      ARG  41  -4.385   0.199  -7.243
  249   HH22  ARG  41          2HH2      ARG  41  -4.396   0.730  -5.584
  250    H    LYS  42           H        LYS  42   3.826  -3.657  -6.140
  251    HA   LYS  42           HA       LYS  42   3.422  -6.172  -7.247
  252    HB2  LYS  42           2HB      LYS  42   5.481  -5.550  -6.106
  253    HB3  LYS  42           1HB      LYS  42   4.623  -5.391  -4.583
  254    HG2  LYS  42           2HG      LYS  42   5.804  -7.433  -4.502
  255    HG3  LYS  42           1HG      LYS  42   4.104  -7.841  -4.732
  256    HD2  LYS  42           2HD      LYS  42   4.474  -8.257  -7.080
  257    HD3  LYS  42           1HD      LYS  42   6.144  -7.699  -6.952
  258    HE2  LYS  42           2HE      LYS  42   6.648  -9.540  -5.427
  259    HE3  LYS  42           1HE      LYS  42   4.977 -10.088  -5.531
  260    HZ1  LYS  42           3HZ      LYS  42   5.298 -10.502  -7.890
  261    HZ2  LYS  42           1HZ      LYS  42   6.422 -11.371  -6.968
  262    HZ3  LYS  42           2HZ      LYS  42   6.900  -9.968  -7.786
  263    H    ALA  43           H        ALA  43   2.089  -7.863  -6.770
  264    HA   ALA  43           HA       ALA  43  -0.167  -7.302  -5.089
  265    HB1  ALA  43           3HB      ALA  43   0.522  -9.815  -6.602
  266    HB2  ALA  43           1HB      ALA  43  -0.452  -8.475  -7.208
  267    HB3  ALA  43           2HB      ALA  43  -1.032  -9.447  -5.854
  268    H    LEU  44           H        LEU  44  -0.161  -7.595  -2.984
  269    HA   LEU  44           HA       LEU  44   1.712  -9.439  -1.735
  270    HG   LEU  44           HG       LEU  44   2.054  -6.560   0.519
  271    HB2  LEU  44           2HB      LEU  44  -0.003  -7.195  -0.747
  272    HB3  LEU  44           1HB      LEU  44   0.564  -8.406   0.385
  273   HD11  LEU  44          1HD1      LEU  44   4.187  -7.552  -0.156
  274   HD12  LEU  44          2HD1      LEU  44   3.328  -8.717  -1.165
  275   HD13  LEU  44          3HD1      LEU  44   3.124  -8.747   0.585
  276   HD21  LEU  44          3HD2      LEU  44   1.504  -5.483  -1.589
  277   HD22  LEU  44          1HD2      LEU  44   2.359  -6.745  -2.473
  278   HD23  LEU  44          2HD2      LEU  44   3.249  -5.658  -1.405
  279    H    ASP  45           H        ASP  45   1.084 -10.986  -0.227
  280    HA   ASP  45           HA       ASP  45  -1.763 -11.737  -0.239
  281    HB2  ASP  45           2HB      ASP  45   0.704 -13.459   0.110
  282    HB3  ASP  45           1HB      ASP  45  -0.920 -14.016   0.506
  283    H    SER  46           H        SER  46  -2.168 -13.065   1.953
  284    HA   SER  46           HA       SER  46  -1.983 -11.153   3.998
  285    HG   SER  46           HG       SER  46  -2.252 -12.461   6.189
  286    HB2  SER  46           2HB      SER  46  -3.723 -12.948   3.852
  287    HB3  SER  46           1HB      SER  46  -2.499 -14.118   4.340
  288    H    THR  47           H        THR  47   0.222 -13.639   3.028
  289    HA   THR  47           HA       THR  47   1.615 -13.546   5.591
  290    HB   THR  47           HB       THR  47   3.014 -15.391   4.517
  291    HG1  THR  47           HG1      THR  47   2.375 -16.180   2.609
  292   HG21  THR  47          3HG2      THR  47   1.320 -17.087   4.970
  293   HG22  THR  47          1HG2      THR  47   0.055 -15.860   4.892
  294   HG23  THR  47          2HG2      THR  47   1.256 -15.808   6.182
  295    H    THR  48           H        THR  48   1.949 -12.343   2.359
  296    HA   THR  48           HA       THR  48   4.839 -12.042   2.657
  297    HB   THR  48           HB       THR  48   4.694 -11.233   0.247
  298    HG1  THR  48           HG1      THR  48   2.743 -11.898  -0.828
  299   HG21  THR  48          3HG2      THR  48   4.451 -13.520  -0.635
  300   HG22  THR  48          1HG2      THR  48   3.767 -14.033   0.908
  301   HG23  THR  48          2HG2      THR  48   5.440 -13.482   0.824
  302    H    VAL  49           H        VAL  49   2.037 -10.161   3.105
  303    HA   VAL  49           HA       VAL  49   3.002  -7.652   2.252
  304    HB   VAL  49           HB       VAL  49   0.713  -7.617   2.573
  305   HG11  VAL  49          1HG1      VAL  49  -0.435  -8.378   4.615
  306   HG12  VAL  49          2HG1      VAL  49   1.119  -8.837   5.308
  307   HG13  VAL  49          3HG1      VAL  49   0.512  -9.674   3.880
  308   HG21  VAL  49          3HG2      VAL  49   1.715  -5.616   3.527
  309   HG22  VAL  49          1HG2      VAL  49   1.813  -6.405   5.101
  310   HG23  VAL  49          2HG2      VAL  49   0.239  -6.057   4.386
  311    H    ALA  50           H        ALA  50   4.414  -6.315   3.057
  312    HA   ALA  50           HA       ALA  50   5.580  -6.859   5.675
  313    HB1  ALA  50           3HB      ALA  50   7.329  -5.285   4.975
  314    HB2  ALA  50           1HB      ALA  50   6.441  -4.971   3.484
  315    HB3  ALA  50           2HB      ALA  50   7.109  -6.575   3.792
  316    H    ALA  51           H        ALA  51   4.502  -5.953   7.283
  317    HA   ALA  51           HA       ALA  51   3.274  -3.329   6.919
  318    HB1  ALA  51           3HB      ALA  51   1.890  -5.149   7.834
  319    HB2  ALA  51           1HB      ALA  51   2.065  -3.811   8.970
  320    HB3  ALA  51           2HB      ALA  51   3.000  -5.288   9.198
  321    H    HIS  52           H        HIS  52   3.646  -1.641   8.384
  322    HA   HIS  52           HA       HIS  52   5.781  -1.946  10.351
  323    HD1  HIS  52           HD1      HIS  52   8.924  -1.328   9.571
  324    HD2  HIS  52           HD2      HIS  52   6.643   2.048  10.416
  325    HE1  HIS  52           HE1      HIS  52  10.373   0.127  11.025
  326    HE2  HIS  52           HE2      HIS  52   8.889   2.046  11.701
  327    HB2  HIS  52           2HB      HIS  52   6.817  -1.174   8.175
  328    HB3  HIS  52           1HB      HIS  52   5.845   0.287   8.306
  329    H    GLU  53           H        GLU  53   4.163  -1.699  11.876
  330    HA   GLU  53           HA       GLU  53   2.991  -0.583  13.442
  331    HB2  GLU  53           2HB      GLU  53   4.161   1.875  12.136
  332    HB3  GLU  53           1HB      GLU  53   3.263   1.879  13.649
  333    HG2  GLU  53           2HG      GLU  53   4.937   0.395  14.639
  334    HG3  GLU  53           1HG      GLU  53   5.848   0.427  13.130
  335    H    SER  54           H        SER  54   2.631   1.526  10.578
  336    HA   SER  54           HA       SER  54  -0.264   1.007  10.708
  337    HG   SER  54           HG       SER  54  -0.974   4.195   9.564
  338    HB2  SER  54           2HB      SER  54   0.392   3.255  11.647
  339    HB3  SER  54           1HB      SER  54   0.989   3.682  10.046
  340    H    GLU  55           H        GLU  55   2.579   1.024   8.878
  341    HA   GLU  55           HA       GLU  55   1.244   1.486   6.321
  342    HB2  GLU  55           2HB      GLU  55   4.158   1.002   6.948
  343    HB3  GLU  55           1HB      GLU  55   3.506   1.408   5.367
  344    HG2  GLU  55           2HG      GLU  55   2.731   3.559   6.272
  345    HG3  GLU  55           1HG      GLU  55   3.481   3.150   7.817
  346    H    ILE  56           H        ILE  56   1.560   0.050   4.534
  347    HA   ILE  56           HA       ILE  56   2.532  -2.645   5.040
  348    HB   ILE  56           HB       ILE  56   0.480  -3.561   5.179
  349   HG12  ILE  56          2HG1      ILE  56   0.268  -2.650   2.298
  350   HG13  ILE  56          1HG1      ILE  56   0.937  -4.173   2.879
  351   HG21  ILE  56          1HG2      ILE  56  -1.610  -2.347   4.735
  352   HG22  ILE  56          2HG2      ILE  56  -0.666  -0.978   4.143
  353   HG23  ILE  56          3HG2      ILE  56  -0.524  -1.488   5.826
  354   HD11  ILE  56          3HD1      ILE  56  -1.938  -3.306   3.090
  355   HD12  ILE  56          1HD1      ILE  56  -1.275  -4.830   3.681
  356   HD13  ILE  56          2HD1      ILE  56  -1.280  -4.480   1.952
  357    H    TYR  57           H        TYR  57   3.779  -3.290   3.398
  358    HA   TYR  57           HA       TYR  57   3.271  -2.327   0.695
  359    HD1  TYR  57           HD1      TYR  57   4.208   0.329  -0.206
  360    HD2  TYR  57           HD2      TYR  57   5.530  -0.481   3.752
  361    HE1  TYR  57           HE1      TYR  57   3.670   2.639   0.442
  362    HE2  TYR  57           HE2      TYR  57   4.993   1.823   4.409
  363    HH   TYR  57           HH       TYR  57   4.555   3.928   3.574
  364    HB2  TYR  57           2HB      TYR  57   5.993  -2.006   1.996
  365    HB3  TYR  57           1HB      TYR  57   5.599  -1.637   0.325
  366    H    CYS  58           H        CYS  58   4.881  -3.397  -0.869
  367    HA   CYS  58           HA       CYS  58   5.178  -6.176  -0.254
  368    HB2  CYS  58           2HB      CYS  58   6.037  -6.432  -2.438
  369    HB3  CYS  58           1HB      CYS  58   4.885  -5.111  -2.592
  370    H    LYS  59           H        LYS  59   7.258  -7.280  -0.161
  371    HA   LYS  59           HA       LYS  59   8.983  -6.030   1.703
  372    HB2  LYS  59           2HB      LYS  59   9.308  -8.601   0.155
  373    HB3  LYS  59           1HB      LYS  59  10.342  -8.097   1.487
  374    HG2  LYS  59           2HG      LYS  59   8.446  -8.134   3.005
  375    HG3  LYS  59           1HG      LYS  59   7.372  -8.579   1.676
  376    HD2  LYS  59           2HD      LYS  59   8.633 -10.656   1.367
  377    HD3  LYS  59           1HD      LYS  59   9.693 -10.210   2.707
  378    HE2  LYS  59           2HE      LYS  59   6.711 -10.619   2.912
  379    HE3  LYS  59           1HE      LYS  59   7.922 -11.820   3.349
  380    HZ1  LYS  59           3HZ      LYS  59   7.523  -9.169   4.634
  381    HZ2  LYS  59           1HZ      LYS  59   8.794 -10.229   4.995
  382    HZ3  LYS  59           2HZ      LYS  59   7.193 -10.688   5.309
  383    H    VAL  60           H        VAL  60   8.839  -5.813  -1.651
  384    HA   VAL  60           HA       VAL  60  11.647  -5.406  -2.130
  385    HB   VAL  60           HB       VAL  60   9.297  -4.572  -3.852
  386   HG11  VAL  60          1HG1      VAL  60  11.343  -3.368  -4.394
  387   HG12  VAL  60          2HG1      VAL  60  10.949  -4.521  -5.668
  388   HG13  VAL  60          3HG1      VAL  60  12.224  -4.891  -4.509
  389   HG21  VAL  60          3HG2      VAL  60  10.982  -7.074  -3.950
  390   HG22  VAL  60          1HG2      VAL  60   9.761  -6.614  -5.137
  391   HG23  VAL  60          2HG2      VAL  60   9.284  -6.977  -3.479
  392    H    CYS  61           H        CYS  61   8.780  -3.291  -1.831
  393    HA   CYS  61           HA       CYS  61  10.353  -0.907  -1.863
  394    HB2  CYS  61           2HB      CYS  61   7.507  -1.348  -0.995
  395    HB3  CYS  61           1HB      CYS  61   8.278   0.230  -1.137
  396    H    TYR  62           H        TYR  62   9.062  -2.971   0.673
  397    HA   TYR  62           HA       TYR  62   9.689  -1.365   2.874
  398    HD1  TYR  62           HD2      TYR  62   7.424  -2.384   4.455
  399    HD2  TYR  62           HD1      TYR  62  11.213  -4.215   5.100
  400    HE1  TYR  62           HE2      TYR  62   7.138  -2.112   6.879
  401    HE2  TYR  62           HE1      TYR  62  10.932  -3.945   7.530
  402    HH   TYR  62           HH       TYR  62   8.040  -3.320   8.981
  403    HB2  TYR  62           2HB      TYR  62   8.521  -3.713   2.704
  404    HB3  TYR  62           1HB      TYR  62  10.152  -4.332   2.941
  405    H    GLY  63           H        GLY  63  11.637  -3.546   0.913
  406    HA2  GLY  63           2HA      GLY  63  14.035  -3.204   2.426
  407    HA3  GLY  63           1HA      GLY  63  13.901  -3.931   0.834
  408    H    ARG  64           H        ARG  64  12.685  -1.609  -0.442
  409    HA   ARG  64           HA       ARG  64  15.149  -0.286  -1.064
  410    HE   ARG  64           HE       ARG  64  12.371   2.096  -4.247
  411    HB2  ARG  64           2HB      ARG  64  13.982   0.836  -2.810
  412    HB3  ARG  64           1HB      ARG  64  13.357  -0.804  -2.754
  413    HG2  ARG  64           2HG      ARG  64  11.465   0.145  -1.340
  414    HG3  ARG  64           1HG      ARG  64  12.035   1.732  -1.858
  415    HD2  ARG  64           2HD      ARG  64  11.277  -0.497  -3.740
  416    HD3  ARG  64           1HD      ARG  64  10.180   0.788  -3.242
  417   HH11  ARG  64          1HH1      ARG  64  10.107  -0.297  -5.428
  418   HH12  ARG  64          2HH1      ARG  64  10.220   0.200  -7.089
  419   HH21  ARG  64          1HH2      ARG  64  12.522   2.798  -6.434
  420   HH22  ARG  64          2HH2      ARG  64  11.569   1.996  -7.655
  421    H    ARG  65           H        ARG  65  12.436   0.435   0.991
  422    HA   ARG  65           HA       ARG  65  13.083   3.220   1.284
  423    HE   ARG  65           HE       ARG  65   9.362   4.602   2.817
  424    HB2  ARG  65           2HB      ARG  65  11.385   1.398   3.004
  425    HB3  ARG  65           1HB      ARG  65  11.536   3.133   3.238
  426    HG2  ARG  65           2HG      ARG  65  10.550   3.520   1.039
  427    HG3  ARG  65           1HG      ARG  65  10.400   1.776   0.804
  428    HD2  ARG  65           2HD      ARG  65   8.277   2.569   1.523
  429    HD3  ARG  65           1HD      ARG  65   8.998   1.705   2.879
  430   HH11  ARG  65          1HH1      ARG  65   7.650   1.860   4.174
  431   HH12  ARG  65          2HH1      ARG  65   6.959   2.774   5.484
  432   HH21  ARG  65          1HH2      ARG  65   8.448   5.797   4.554
  433   HH22  ARG  65          2HH2      ARG  65   7.404   4.998   5.687
  434    H    TYR  66           H        TYR  66  13.444   0.372   3.403
  435    HA   TYR  66           HA       TYR  66  14.946   1.984   5.294
  436    HD1  TYR  66           HD1      TYR  66  13.639   1.825   7.915
  437    HD2  TYR  66           HD2      TYR  66  11.686  -0.465   4.907
  438    HE1  TYR  66           HE1      TYR  66  11.466   2.666   8.690
  439    HE2  TYR  66           HE2      TYR  66   9.513   0.375   5.675
  440    HH   TYR  66           HH       TYR  66   8.537   1.281   7.785
  441    HB2  TYR  66           2HB      TYR  66  13.981  -0.875   5.418
  442    HB3  TYR  66           1HB      TYR  66  14.793  -0.034   6.734
  Start of MODEL   18
    1    H1   GLY   7           1H       GLY   7 -18.720   3.507   7.401
    2    HA2  GLY   7           2HA      GLY   7 -17.577   1.093   7.990
    3    HA3  GLY   7           1HA      GLY   7 -17.379   1.252   6.248
    4    H    ALA   8           H        ALA   8 -15.667   2.318   5.526
    5    HA   ALA   8           HA       ALA   8 -14.495   4.505   7.032
    6    HB1  ALA   8           3HB      ALA   8 -12.895   2.001   6.476
    7    HB2  ALA   8           1HB      ALA   8 -13.434   2.543   8.066
    8    HB3  ALA   8           2HB      ALA   8 -12.268   3.503   7.157
    9    H    LYS   9           H        LYS   9 -12.303   5.107   5.707
   10    HA   LYS   9           HA       LYS   9 -13.000   4.815   2.867
   11    HB2  LYS   9           2HB      LYS   9 -11.956   6.851   2.345
   12    HB3  LYS   9           1HB      LYS   9 -12.823   7.195   3.837
   13    HG2  LYS   9           2HG      LYS   9 -10.830   7.171   5.108
   14    HG3  LYS   9           1HG      LYS   9  -9.911   6.458   3.778
   15    HD2  LYS   9           2HD      LYS   9 -11.178   9.199   3.766
   16    HD3  LYS   9           1HD      LYS   9  -9.466   8.867   4.040
   17    HE2  LYS   9           2HE      LYS   9 -10.938   8.043   1.541
   18    HE3  LYS   9           1HE      LYS   9 -10.090   9.576   1.700
   19    HZ1  LYS   9           3HZ      LYS   9  -8.056   8.260   2.211
   20    HZ2  LYS   9           1HZ      LYS   9  -8.633   8.053   0.635
   21    HZ3  LYS   9           2HZ      LYS   9  -8.901   6.852   1.797
   22    H    CYS  10           H        CYS  10 -11.417   4.256   1.457
   23    HA   CYS  10           HA       CYS  10  -9.630   2.303   2.348
   24    HB2  CYS  10           2HB      CYS  10 -10.772   2.531   0.135
   25    HB3  CYS  10           1HB      CYS  10  -9.651   3.817  -0.250
   26    H    GLY  11           H        GLY  11  -7.655   2.487   3.137
   27    HA2  GLY  11           2HA      GLY  11  -6.243   4.975   3.249
   28    HA3  GLY  11           1HA      GLY  11  -5.632   3.409   3.765
   29    H    ALA  12           H        ALA  12  -6.698   2.878   0.740
   30    HA   ALA  12           HA       ALA  12  -4.038   3.369  -0.416
   31    HB1  ALA  12           3HB      ALA  12  -4.548   1.577  -1.982
   32    HB2  ALA  12           1HB      ALA  12  -6.159   1.412  -1.283
   33    HB3  ALA  12           2HB      ALA  12  -4.735   1.024  -0.318
   34    H    CYS  13           H        CYS  13  -7.479   3.315  -1.357
   35    HA   CYS  13           HA       CYS  13  -6.858   5.465  -3.270
   36    HB2  CYS  13           2HB      CYS  13  -8.420   4.608  -4.814
   37    HB3  CYS  13           1HB      CYS  13  -7.541   3.197  -4.244
   38    H    GLU  14           H        GLU  14  -9.028   6.723  -3.795
   39    HA   GLU  14           HA       GLU  14  -9.933   7.611  -1.160
   40    HB2  GLU  14           2HB      GLU  14 -10.150   8.922  -3.876
   41    HB3  GLU  14           1HB      GLU  14 -10.761   9.613  -2.386
   42    HG2  GLU  14           2HG      GLU  14  -7.924   9.057  -3.097
   43    HG3  GLU  14           1HG      GLU  14  -8.676  10.625  -2.845
   44    H    LYS  15           H        LYS  15 -11.001   5.190  -2.445
   45    HA   LYS  15           HA       LYS  15 -13.825   5.959  -2.638
   46    HB2  LYS  15           2HB      LYS  15 -12.651   3.184  -2.875
   47    HB3  LYS  15           1HB      LYS  15 -14.276   3.690  -3.307
   48    HG2  LYS  15           2HG      LYS  15 -13.317   5.106  -5.087
   49    HG3  LYS  15           1HG      LYS  15 -11.720   4.466  -4.687
   50    HD2  LYS  15           2HD      LYS  15 -12.907   2.151  -5.002
   51    HD3  LYS  15           1HD      LYS  15 -14.054   3.098  -5.951
   52    HE2  LYS  15           2HE      LYS  15 -12.394   2.215  -7.432
   53    HE3  LYS  15           1HE      LYS  15 -12.138   3.954  -7.291
   54    HZ1  LYS  15           3HZ      LYS  15 -10.395   3.504  -5.649
   55    HZ2  LYS  15           1HZ      LYS  15 -10.041   2.783  -7.143
   56    HZ3  LYS  15           2HZ      LYS  15 -10.620   1.841  -5.858
   57    H    THR  16           H        THR  16 -15.343   4.542  -1.363
   58    HA   THR  16           HA       THR  16 -14.400   4.450   1.378
   59    HB   THR  16           HB       THR  16 -16.940   3.821   1.672
   60    HG1  THR  16           HG1      THR  16 -18.206   4.669   0.007
   61   HG21  THR  16          3HG2      THR  16 -15.888   5.865   2.509
   62   HG22  THR  16          1HG2      THR  16 -17.472   6.208   1.813
   63   HG23  THR  16          2HG2      THR  16 -16.009   6.589   0.905
   64    H    VAL  17           H        VAL  17 -14.200   2.649   2.582
   65    HA   VAL  17           HA       VAL  17 -14.277   0.099   1.163
   66    HB   VAL  17           HB       VAL  17 -13.046   0.896   3.804
   67   HG11  VAL  17          1HG1      VAL  17 -13.031  -1.793   2.441
   68   HG12  VAL  17          2HG1      VAL  17 -13.839  -1.402   3.961
   69   HG13  VAL  17          3HG1      VAL  17 -12.077  -1.361   3.861
   70   HG21  VAL  17          3HG2      VAL  17 -10.940   0.431   2.672
   71   HG22  VAL  17          1HG2      VAL  17 -11.855   1.685   1.836
   72   HG23  VAL  17          2HG2      VAL  17 -11.818   0.043   1.194
   73    H    TYR  18           H        TYR  18 -15.730  -1.463   1.574
   74    HA   TYR  18           HA       TYR  18 -17.459  -1.188   3.939
   75    HD1  TYR  18           HD1      TYR  18 -19.525   0.398   4.005
   76    HD2  TYR  18           HD2      TYR  18 -18.330   0.294  -0.074
   77    HE1  TYR  18           HE1      TYR  18 -20.032   2.791   3.800
   78    HE2  TYR  18           HE2      TYR  18 -18.834   2.690  -0.292
   79    HH   TYR  18           HH       TYR  18 -20.176   4.399   0.773
   80    HB2  TYR  18           2HB      TYR  18 -18.439  -1.689   1.117
   81    HB3  TYR  18           1HB      TYR  18 -19.436  -1.778   2.560
   82    H    HIS  19           H        HIS  19 -19.063  -3.304   3.725
   83    HA   HIS  19           HA       HIS  19 -17.366  -5.518   4.207
   84    HD1  HIS  19           HD1      HIS  19 -20.736  -7.661   2.612
   85    HD2  HIS  19           HD2      HIS  19 -21.592  -3.727   3.667
   86    HE1  HIS  19           HE1      HIS  19 -22.850  -7.077   1.386
   87    HE2  HIS  19           HE2      HIS  19 -23.223  -4.628   1.862
   88    HB2  HIS  19           2HB      HIS  19 -19.339  -6.817   4.541
   89    HB3  HIS  19           1HB      HIS  19 -19.672  -5.211   5.174
   90    H    ALA  20           H        ALA  20 -18.468  -4.171   1.319
   91    HA   ALA  20           HA       ALA  20 -18.733  -6.360  -0.384
   92    HB1  ALA  20           3HB      ALA  20 -18.207  -4.833  -2.196
   93    HB2  ALA  20           1HB      ALA  20 -17.531  -3.676  -1.049
   94    HB3  ALA  20           2HB      ALA  20 -19.254  -4.042  -1.016
   95    H    GLU  21           H        GLU  21 -15.827  -4.684   0.753
   96    HA   GLU  21           HA       GLU  21 -14.216  -6.976   0.197
   97    HB2  GLU  21           2HB      GLU  21 -12.668  -5.897  -1.359
   98    HB3  GLU  21           1HB      GLU  21 -14.271  -6.072  -2.046
   99    HG2  GLU  21           2HG      GLU  21 -14.698  -3.704  -1.638
  100    HG3  GLU  21           1HG      GLU  21 -13.101  -3.545  -0.907
  101    H    GLU  22           H        GLU  22 -14.608  -5.902   2.596
  102    HA   GLU  22           HA       GLU  22 -12.536  -3.982   3.201
  103    HB2  GLU  22           2HB      GLU  22 -14.553  -3.829   4.511
  104    HB3  GLU  22           1HB      GLU  22 -14.431  -5.519   4.987
  105    HG2  GLU  22           2HG      GLU  22 -12.358  -5.018   6.197
  106    HG3  GLU  22           1HG      GLU  22 -12.518  -3.322   5.743
  107    H    ILE  23           H        ILE  23 -10.488  -4.555   3.392
  108    HA   ILE  23           HA       ILE  23  -9.915  -7.109   4.742
  109    HB   ILE  23           HB       ILE  23  -9.044  -6.551   2.267
  110   HG12  ILE  23          2HG1      ILE  23  -7.259  -7.877   4.313
  111   HG13  ILE  23          1HG1      ILE  23  -8.718  -8.620   3.666
  112   HG21  ILE  23          1HG2      ILE  23  -6.708  -5.798   2.328
  113   HG22  ILE  23          2HG2      ILE  23  -6.904  -5.393   4.033
  114   HG23  ILE  23          3HG2      ILE  23  -7.853  -4.547   2.811
  115   HD11  ILE  23          3HD1      ILE  23  -6.733  -9.446   2.537
  116   HD12  ILE  23          1HD1      ILE  23  -6.304  -7.801   2.070
  117   HD13  ILE  23          2HD1      ILE  23  -7.765  -8.547   1.423
  118    H    GLN  24           H        GLN  24  -8.563  -7.026   6.545
  119    HA   GLN  24           HA       GLN  24  -7.937  -4.292   7.434
  120    HB2  GLN  24           2HB      GLN  24  -8.814  -6.664   9.088
  121    HB3  GLN  24           1HB      GLN  24  -8.268  -5.130   9.756
  122    HG2  GLN  24           2HG      GLN  24 -10.108  -3.978   8.657
  123    HG3  GLN  24           1HG      GLN  24 -10.650  -5.499   7.949
  124   HE21  GLN  24          1HE2      GLN  24 -12.650  -5.376   8.928
  125   HE22  GLN  24          2HE2      GLN  24 -12.871  -5.638  10.625
  126    H    CYS  25           H        CYS  25  -5.842  -3.994   7.203
  127    HA   CYS  25           HA       CYS  25  -4.012  -6.136   8.021
  128    HG   CYS  25           HG       CYS  25  -0.906  -4.271   5.888
  129    HB2  CYS  25           2HB      CYS  25  -3.705  -5.219   5.733
  130    HB3  CYS  25           1HB      CYS  25  -3.415  -3.630   6.426
  131    H    ASN  26           H        ASN  26  -3.537  -5.998  10.077
  132    HA   ASN  26           HA       ASN  26  -2.727  -5.275  12.059
  133    HB2  ASN  26           2HB      ASN  26  -1.007  -4.032  10.806
  134    HB3  ASN  26           1HB      ASN  26  -2.103  -2.662  10.660
  135   HD21  ASN  26          1HD2      ASN  26  -0.664  -1.298  11.748
  136   HD22  ASN  26          2HD2      ASN  26  -0.410  -1.400  13.457
  137    H    GLY  27           H        GLY  27  -4.161  -2.280  10.722
  138    HA2  GLY  27           2HA      GLY  27  -6.484  -2.571  12.403
  139    HA3  GLY  27           1HA      GLY  27  -5.371  -1.333  12.970
  140    H    ARG  28           H        ARG  28  -5.850  -2.056   9.570
  141    HA   ARG  28           HA       ARG  28  -7.488   0.359   9.307
  142    HE   ARG  28           HE       ARG  28  -4.960   3.790  10.279
  143    HB2  ARG  28           2HB      ARG  28  -4.887  -0.204   7.913
  144    HB3  ARG  28           1HB      ARG  28  -6.103   0.829   7.173
  145    HG2  ARG  28           2HG      ARG  28  -4.831   1.273   9.865
  146    HG3  ARG  28           1HG      ARG  28  -4.421   2.125   8.372
  147    HD2  ARG  28           2HD      ARG  28  -6.600   3.097   8.249
  148    HD3  ARG  28           1HD      ARG  28  -7.182   2.102   9.582
  149   HH11  ARG  28          1HH1      ARG  28  -8.449   3.630   9.946
  150   HH12  ARG  28          2HH1      ARG  28  -8.738   4.907  11.099
  151   HH21  ARG  28          1HH2      ARG  28  -5.342   5.443  11.794
  152   HH22  ARG  28          2HH2      ARG  28  -6.973   5.931  12.147
  153    H    SER  29           H        SER  29  -9.066   0.258   7.847
  154    HA   SER  29           HA       SER  29  -9.506  -2.274   6.500
  155    HG   SER  29           HG       SER  29 -12.322  -1.865   7.919
  156    HB2  SER  29           2HB      SER  29 -11.246   0.196   6.703
  157    HB3  SER  29           1HB      SER  29 -11.733  -1.334   5.978
  158    H    PHE  30           H        PHE  30  -8.663  -2.578   4.589
  159    HA   PHE  30           HA       PHE  30  -8.579  -0.352   2.653
  160    HD1  PHE  30           HD2      PHE  30  -6.077   0.696   2.382
  161    HD2  PHE  30           HD1      PHE  30  -5.663  -2.900   4.616
  162    HE1  PHE  30           HE2      PHE  30  -4.372   1.771   3.792
  163    HE2  PHE  30           HE1      PHE  30  -3.958  -1.833   6.029
  164    HZ   PHE  30           HZ       PHE  30  -3.310   0.505   5.616
  165    HB2  PHE  30           2HB      PHE  30  -6.937  -2.902   2.673
  166    HB3  PHE  30           1HB      PHE  30  -6.796  -1.589   1.512
  167    H    HIS  31           H        HIS  31  -8.881  -1.107   0.363
  168    HA   HIS  31           HA       HIS  31 -11.030  -3.012   0.126
  169    HD2  HIS  31           HD2      HIS  31 -12.915  -1.739  -0.179
  170    HE1  HIS  31           HE1      HIS  31 -12.594   1.968  -2.169
  171    HE2  HIS  31           HE2      HIS  31 -14.112   0.477  -0.808
  172    HB2  HIS  31           2HB      HIS  31  -9.421  -1.471  -1.916
  173    HB3  HIS  31           1HB      HIS  31 -10.642  -2.655  -2.372
  174    H    LYS  32           H        LYS  32 -10.949  -4.991  -0.958
  175    HA   LYS  32           HA       LYS  32  -8.645  -6.563  -0.560
  176    HB2  LYS  32           2HB      LYS  32 -10.974  -7.419  -0.651
  177    HB3  LYS  32           1HB      LYS  32 -11.008  -7.085  -2.376
  178    HG2  LYS  32           2HG      LYS  32  -9.261  -8.708  -2.760
  179    HG3  LYS  32           1HG      LYS  32  -9.130  -9.009  -1.023
  180    HD2  LYS  32           2HD      LYS  32 -11.452  -9.786  -0.988
  181    HD3  LYS  32           1HD      LYS  32 -11.574  -9.497  -2.725
  182    HE2  LYS  32           2HE      LYS  32  -9.861 -11.165  -3.144
  183    HE3  LYS  32           1HE      LYS  32  -9.653 -11.414  -1.410
  184    HZ1  LYS  32           3HZ      LYS  32 -11.049 -13.124  -2.397
  185    HZ2  LYS  32           1HZ      LYS  32 -12.148 -11.944  -2.933
  186    HZ3  LYS  32           2HZ      LYS  32 -11.920 -12.203  -1.273
  187    H    THR  33           H        THR  33  -9.837  -4.676  -3.238
  188    HA   THR  33           HA       THR  33  -7.895  -5.678  -5.125
  189    HB   THR  33           HB       THR  33 -10.109  -4.823  -5.836
  190    HG1  THR  33           HG1      THR  33  -7.757  -3.576  -6.837
  191   HG21  THR  33          3HG2      THR  33  -8.992  -2.148  -5.020
  192   HG22  THR  33          1HG2      THR  33 -10.377  -2.971  -4.307
  193   HG23  THR  33          2HG2      THR  33 -10.460  -2.384  -5.968
  194    H    CYS  34           H        CYS  34  -7.934  -3.383  -2.632
  195    HA   CYS  34           HA       CYS  34  -5.596  -1.982  -3.737
  196    HB2  CYS  34           2HB      CYS  34  -7.401  -1.123  -1.472
  197    HB3  CYS  34           1HB      CYS  34  -6.112  -0.177  -2.203
  198    H    PHE  35           H        PHE  35  -5.786  -4.630  -2.217
  199    HA   PHE  35           HA       PHE  35  -4.573  -4.077   0.328
  200    HD1  PHE  35           HD2      PHE  35  -4.866  -5.585   2.422
  201    HD2  PHE  35           HD1      PHE  35  -3.434  -8.242  -0.578
  202    HE1  PHE  35           HE2      PHE  35  -3.575  -6.802   4.126
  203    HE2  PHE  35           HE1      PHE  35  -2.148  -9.473   1.119
  204    HZ   PHE  35           HZ       PHE  35  -2.172  -8.712   3.473
  205    HB2  PHE  35           2HB      PHE  35  -6.046  -5.998   0.131
  206    HB3  PHE  35           1HB      PHE  35  -5.034  -6.684  -1.135
  207    H    HIS  36           H        HIS  36  -3.398  -4.403  -2.828
  208    HA   HIS  36           HA       HIS  36  -0.887  -5.544  -1.955
  209    HD1  HIS  36           HD1      HIS  36  -3.410  -6.988  -4.815
  210    HD2  HIS  36           HD2      HIS  36  -2.101  -3.160  -5.774
  211    HE1  HIS  36           HE1      HIS  36  -5.070  -6.106  -6.491
  212    HE2  HIS  36           HE2      HIS  36  -4.276  -3.778  -7.053
  213    HB2  HIS  36           2HB      HIS  36  -0.337  -5.053  -4.528
  214    HB3  HIS  36           1HB      HIS  36  -1.142  -6.500  -3.955
  215    H    CYS  37           H        CYS  37   1.090  -4.435  -3.324
  216    HA   CYS  37           HA       CYS  37   1.900  -2.730  -1.343
  217    HB2  CYS  37           2HB      CYS  37   3.359  -4.001  -2.920
  218    HB3  CYS  37           1HB      CYS  37   3.046  -2.762  -4.130
  219    H    MET  38           H        MET  38   1.711  -0.727  -0.859
  220    HA   MET  38           HA       MET  38   0.125   1.079  -2.395
  221    HB2  MET  38           2HB      MET  38   1.812   1.617   0.058
  222    HB3  MET  38           1HB      MET  38   0.527   2.639  -0.564
  223    HG2  MET  38           2HG      MET  38   0.156  -0.160   0.459
  224    HG3  MET  38           1HG      MET  38  -0.145   1.310   1.387
  225    HE1  MET  38           3HE      MET  38  -3.700  -0.244   0.557
  226    HE2  MET  38           1HE      MET  38  -2.597   0.212   1.854
  227    HE3  MET  38           2HE      MET  38  -2.198  -1.141   0.795
  228    H    ALA  39           H        ALA  39   3.486   0.381  -2.206
  229    HA   ALA  39           HA       ALA  39   4.302   3.068  -2.945
  230    HB1  ALA  39           3HB      ALA  39   5.984   0.596  -2.576
  231    HB2  ALA  39           1HB      ALA  39   5.630   1.797  -1.333
  232    HB3  ALA  39           2HB      ALA  39   6.574   2.250  -2.753
  233    H    CYS  40           H        CYS  40   4.704  -0.197  -4.390
  234    HA   CYS  40           HA       CYS  40   5.129   1.165  -6.944
  235    HB2  CYS  40           2HB      CYS  40   5.977  -0.990  -7.788
  236    HB3  CYS  40           1HB      CYS  40   6.878  -0.440  -6.385
  237    H    ARG  41           H        ARG  41   3.973  -2.064  -6.693
  238    HA   ARG  41           HA       ARG  41   1.253  -1.754  -6.427
  239    HE   ARG  41           HE       ARG  41  -0.609   0.776  -8.353
  240    HB2  ARG  41           2HB      ARG  41   1.571  -0.498  -8.662
  241    HB3  ARG  41           1HB      ARG  41   1.841  -2.087  -9.365
  242    HG2  ARG  41           2HG      ARG  41  -0.483  -1.287  -9.606
  243    HG3  ARG  41           1HG      ARG  41  -0.355  -2.814  -8.730
  244    HD2  ARG  41           2HD      ARG  41  -1.938  -1.416  -7.594
  245    HD3  ARG  41           1HD      ARG  41  -0.487  -1.533  -6.600
  246   HH11  ARG  41          1HH1      ARG  41  -1.179  -0.495  -5.143
  247   HH12  ARG  41          2HH1      ARG  41  -1.315   1.069  -4.404
  248   HH21  ARG  41          1HH2      ARG  41  -0.779   2.839  -7.385
  249   HH22  ARG  41          2HH2      ARG  41  -1.087   2.967  -5.678
  250    H    LYS  42           H        LYS  42   3.695  -3.451  -6.127
  251    HA   LYS  42           HA       LYS  42   3.420  -5.915  -7.439
  252    HB2  LYS  42           2HB      LYS  42   5.434  -5.197  -6.217
  253    HB3  LYS  42           1HB      LYS  42   4.548  -5.263  -4.705
  254    HG2  LYS  42           2HG      LYS  42   5.937  -7.192  -4.861
  255    HG3  LYS  42           1HG      LYS  42   4.258  -7.704  -5.042
  256    HD2  LYS  42           2HD      LYS  42   4.508  -8.151  -7.301
  257    HD3  LYS  42           1HD      LYS  42   5.917  -7.100  -7.457
  258    HE2  LYS  42           2HE      LYS  42   5.920  -9.635  -5.835
  259    HE3  LYS  42           1HE      LYS  42   6.390  -9.575  -7.534
  260    HZ1  LYS  42           3HZ      LYS  42   8.275  -8.394  -7.067
  261    HZ2  LYS  42           1HZ      LYS  42   8.168  -9.347  -5.671
  262    HZ3  LYS  42           2HZ      LYS  42   7.664  -7.724  -5.637
  263    H    ALA  43           H        ALA  43   2.215  -7.719  -6.981
  264    HA   ALA  43           HA       ALA  43  -0.043  -7.418  -5.241
  265    HB1  ALA  43           3HB      ALA  43  -0.224  -8.651  -7.346
  266    HB2  ALA  43           1HB      ALA  43  -0.659  -9.662  -5.968
  267    HB3  ALA  43           2HB      ALA  43   0.915  -9.854  -6.740
  268    H    LEU  44           H        LEU  44  -0.190  -8.009  -3.163
  269    HA   LEU  44           HA       LEU  44   2.070  -9.468  -2.005
  270    HG   LEU  44           HG       LEU  44   2.338  -6.609   0.253
  271    HB2  LEU  44           2HB      LEU  44   0.278  -7.340  -0.940
  272    HB3  LEU  44           1HB      LEU  44   0.920  -8.522   0.185
  273   HD11  LEU  44          1HD1      LEU  44   3.638  -8.769  -1.403
  274   HD12  LEU  44          2HD1      LEU  44   3.506  -8.736   0.357
  275   HD13  LEU  44          3HD1      LEU  44   4.493  -7.534  -0.478
  276   HD21  LEU  44          3HD2      LEU  44   3.487  -5.764  -1.758
  277   HD22  LEU  44          1HD2      LEU  44   1.736  -5.559  -1.816
  278   HD23  LEU  44          2HD2      LEU  44   2.501  -6.850  -2.741
  279    H    ASP  45           H        ASP  45   1.801 -11.287  -0.968
  280    HA   ASP  45           HA       ASP  45  -0.894 -12.382  -0.611
  281    HB2  ASP  45           2HB      ASP  45   0.839 -13.781  -1.752
  282    HB3  ASP  45           1HB      ASP  45   1.822 -13.708  -0.295
  283    H    SER  46           H        SER  46  -1.324 -13.403   1.522
  284    HA   SER  46           HA       SER  46  -0.918 -11.480   3.538
  285    HG   SER  46           HG       SER  46  -1.739 -15.170   3.900
  286    HB2  SER  46           2HB      SER  46  -2.014 -13.319   4.983
  287    HB3  SER  46           1HB      SER  46  -2.939 -12.641   3.642
  288    H    THR  47           H        THR  47   1.049 -14.094   2.566
  289    HA   THR  47           HA       THR  47   2.423 -14.118   5.160
  290    HB   THR  47           HB       THR  47   1.843 -16.313   4.152
  291    HG1  THR  47           HG1      THR  47   4.563 -15.603   4.562
  292   HG21  THR  47          3HG2      THR  47   2.123 -15.783   1.794
  293   HG22  THR  47          1HG2      THR  47   3.173 -17.128   2.242
  294   HG23  THR  47          2HG2      THR  47   3.849 -15.512   2.036
  295    H    THR  48           H        THR  48   2.632 -12.446   2.269
  296    HA   THR  48           HA       THR  48   5.570 -12.250   2.458
  297    HB   THR  48           HB       THR  48   5.480 -11.470   0.064
  298    HG1  THR  48           HG1      THR  48   3.607 -11.825  -1.088
  299   HG21  THR  48          3HG2      THR  48   6.186 -13.733   0.640
  300   HG22  THR  48          1HG2      THR  48   5.248 -13.742  -0.855
  301   HG23  THR  48          2HG2      THR  48   4.505 -14.270   0.655
  302    H    VAL  49           H        VAL  49   2.642 -10.459   2.698
  303    HA   VAL  49           HA       VAL  49   3.622  -7.916   1.971
  304    HB   VAL  49           HB       VAL  49   1.302  -7.995   2.070
  305   HG11  VAL  49          1HG1      VAL  49   1.064 -10.016   3.425
  306   HG12  VAL  49          2HG1      VAL  49   0.011  -8.738   4.036
  307   HG13  VAL  49          3HG1      VAL  49   1.518  -9.115   4.871
  308   HG21  VAL  49          3HG2      VAL  49   0.615  -6.394   3.783
  309   HG22  VAL  49          1HG2      VAL  49   2.138  -5.925   3.029
  310   HG23  VAL  49          2HG2      VAL  49   2.137  -6.652   4.635
  311    H    ALA  50           H        ALA  50   4.733  -6.401   2.991
  312    HA   ALA  50           HA       ALA  50   5.664  -6.965   5.717
  313    HB1  ALA  50           3HB      ALA  50   7.398  -6.607   3.997
  314    HB2  ALA  50           1HB      ALA  50   7.452  -5.380   5.263
  315    HB3  ALA  50           2HB      ALA  50   6.742  -4.998   3.695
  316    H    ALA  51           H        ALA  51   4.328  -6.073   7.168
  317    HA   ALA  51           HA       ALA  51   3.292  -3.381   6.636
  318    HB1  ALA  51           3HB      ALA  51   2.249  -5.450   8.562
  319    HB2  ALA  51           1HB      ALA  51   1.587  -5.108   6.965
  320    HB3  ALA  51           2HB      ALA  51   1.531  -3.875   8.223
  321    H    HIS  52           H        HIS  52   4.837  -2.064   7.409
  322    HA   HIS  52           HA       HIS  52   5.829  -2.488  10.136
  323    HD1  HIS  52           HD1      HIS  52   9.325  -2.341   9.647
  324    HD2  HIS  52           HD2      HIS  52   7.184   1.032  10.824
  325    HE1  HIS  52           HE1      HIS  52  10.677  -1.281  11.485
  326    HE2  HIS  52           HE2      HIS  52   9.306   0.677  12.272
  327    HB2  HIS  52           2HB      HIS  52   7.378  -1.895   8.163
  328    HB3  HIS  52           1HB      HIS  52   6.671  -0.286   8.244
  329    H    GLU  53           H        GLU  53   4.595  -1.652  11.666
  330    HA   GLU  53           HA       GLU  53   3.011  -0.446  12.742
  331    HB2  GLU  53           2HB      GLU  53   3.764   1.783  10.835
  332    HB3  GLU  53           1HB      GLU  53   2.873   1.965  12.337
  333    HG2  GLU  53           2HG      GLU  53   5.741   1.101  12.044
  334    HG3  GLU  53           1HG      GLU  53   5.165   2.661  12.627
  335    H    SER  54           H        SER  54   1.730   1.777  10.712
  336    HA   SER  54           HA       SER  54  -0.416  -0.039   9.931
  337    HG   SER  54           HG       SER  54  -1.967   2.404  11.537
  338    HB2  SER  54           2HB      SER  54  -0.266   2.975   9.718
  339    HB3  SER  54           1HB      SER  54  -1.705   1.985   9.478
  340    H    GLU  55           H        GLU  55   2.391   0.701   8.561
  341    HA   GLU  55           HA       GLU  55   1.339   1.331   5.900
  342    HB2  GLU  55           2HB      GLU  55   4.138   1.439   7.021
  343    HB3  GLU  55           1HB      GLU  55   3.745   1.754   5.336
  344    HG2  GLU  55           2HG      GLU  55   2.313   3.615   6.034
  345    HG3  GLU  55           1HG      GLU  55   2.756   3.309   7.715
  346    H    ILE  56           H        ILE  56   1.016  -0.247   4.537
  347    HA   ILE  56           HA       ILE  56   2.556  -2.737   4.806
  348    HB   ILE  56           HB       ILE  56   0.510  -3.630   5.018
  349   HG12  ILE  56          2HG1      ILE  56   0.316  -3.003   2.063
  350   HG13  ILE  56          1HG1      ILE  56   1.117  -4.402   2.771
  351   HG21  ILE  56          1HG2      ILE  56  -0.559  -1.516   5.405
  352   HG22  ILE  56          2HG2      ILE  56  -1.591  -2.522   4.387
  353   HG23  ILE  56          3HG2      ILE  56  -0.656  -1.208   3.671
  354   HD11  ILE  56          3HD1      ILE  56  -1.822  -3.791   2.963
  355   HD12  ILE  56          1HD1      ILE  56  -1.007  -5.210   3.619
  356   HD13  ILE  56          2HD1      ILE  56  -1.077  -4.961   1.874
  357    H    TYR  57           H        TYR  57   3.888  -3.295   3.220
  358    HA   TYR  57           HA       TYR  57   3.389  -2.421   0.481
  359    HD1  TYR  57           HD1      TYR  57   5.379  -0.620   3.663
  360    HD2  TYR  57           HD2      TYR  57   4.335   0.434  -0.318
  361    HE1  TYR  57           HE1      TYR  57   4.763   1.624   4.430
  362    HE2  TYR  57           HE2      TYR  57   3.709   2.691   0.440
  363    HH   TYR  57           HH       TYR  57   4.327   3.758   3.735
  364    HB2  TYR  57           2HB      TYR  57   6.085  -1.976   1.794
  365    HB3  TYR  57           1HB      TYR  57   5.639  -1.560   0.147
  366    H    CYS  58           H        CYS  58   5.076  -3.441  -1.024
  367    HA   CYS  58           HA       CYS  58   5.543  -6.185  -0.300
  368    HB2  CYS  58           2HB      CYS  58   6.330  -6.493  -2.494
  369    HB3  CYS  58           1HB      CYS  58   5.108  -5.244  -2.675
  370    H    LYS  59           H        LYS  59   7.655  -7.140  -0.065
  371    HA   LYS  59           HA       LYS  59   9.206  -5.663   1.763
  372    HB2  LYS  59           2HB      LYS  59   9.730  -8.307   0.416
  373    HB3  LYS  59           1HB      LYS  59  10.734  -7.648   1.703
  374    HG2  LYS  59           2HG      LYS  59   8.758  -7.605   3.179
  375    HG3  LYS  59           1HG      LYS  59   7.813  -8.353   1.892
  376    HD2  LYS  59           2HD      LYS  59  10.259  -9.559   3.181
  377    HD3  LYS  59           1HD      LYS  59   8.592  -9.980   3.575
  378    HE2  LYS  59           2HE      LYS  59   8.253 -10.697   1.239
  379    HE3  LYS  59           1HE      LYS  59   9.948 -10.342   0.903
  380    HZ1  LYS  59           3HZ      LYS  59  10.573 -11.988   2.571
  381    HZ2  LYS  59           1HZ      LYS  59   9.634 -12.679   1.339
  382    HZ3  LYS  59           2HZ      LYS  59   8.939 -12.350   2.853
  383    H    VAL  60           H        VAL  60   9.292  -5.570  -1.595
  384    HA   VAL  60           HA       VAL  60  12.106  -5.002  -1.853
  385    HB   VAL  60           HB       VAL  60   9.849  -4.467  -3.798
  386   HG11  VAL  60          1HG1      VAL  60  11.767  -3.047  -4.247
  387   HG12  VAL  60          2HG1      VAL  60  11.637  -4.301  -5.481
  388   HG13  VAL  60          3HG1      VAL  60  12.837  -4.447  -4.199
  389   HG21  VAL  60          3HG2      VAL  60  10.099  -6.844  -3.297
  390   HG22  VAL  60          1HG2      VAL  60  11.821  -6.749  -3.665
  391   HG23  VAL  60          2HG2      VAL  60  10.633  -6.490  -4.942
  392    H    CYS  61           H        CYS  61   9.102  -3.066  -1.987
  393    HA   CYS  61           HA       CYS  61  10.442  -0.559  -1.932
  394    HB2  CYS  61           2HB      CYS  61   7.613  -1.261  -1.132
  395    HB3  CYS  61           1HB      CYS  61   8.230   0.373  -1.350
  396    H    TYR  62           H        TYR  62   9.282  -2.767   0.512
  397    HA   TYR  62           HA       TYR  62   9.569  -1.164   2.784
  398    HD1  TYR  62           HD2      TYR  62   7.992  -2.260   4.902
  399    HD2  TYR  62           HD1      TYR  62  11.591  -4.475   4.368
  400    HE1  TYR  62           HE2      TYR  62   8.291  -2.356   7.337
  401    HE2  TYR  62           HE1      TYR  62  11.893  -4.575   6.805
  402    HH   TYR  62           HH       TYR  62  11.232  -3.565   8.788
  403    HB2  TYR  62           2HB      TYR  62   8.531  -3.419   2.758
  404    HB3  TYR  62           1HB      TYR  62  10.126  -4.131   2.525
  405    H    GLY  63           H        GLY  63  11.923  -3.310   1.195
  406    HA2  GLY  63           2HA      GLY  63  14.100  -2.665   2.885
  407    HA3  GLY  63           1HA      GLY  63  14.214  -3.391   1.290
  408    H    ARG  64           H        ARG  64  12.839  -1.179  -0.025
  409    HA   ARG  64           HA       ARG  64  15.010   0.457  -0.692
  410    HE   ARG  64           HE       ARG  64  13.007   1.457  -4.660
  411    HB2  ARG  64           2HB      ARG  64  13.085   0.172  -2.169
  412    HB3  ARG  64           1HB      ARG  64  12.046   0.981  -1.005
  413    HG2  ARG  64           2HG      ARG  64  13.392   3.039  -1.306
  414    HG3  ARG  64           1HG      ARG  64  14.307   2.211  -2.567
  415    HD2  ARG  64           2HD      ARG  64  11.332   2.715  -2.578
  416    HD3  ARG  64           1HD      ARG  64  12.531   3.607  -3.511
  417   HH11  ARG  64          1HH1      ARG  64   9.921   2.006  -3.124
  418   HH12  ARG  64          2HH1      ARG  64   9.078   0.814  -4.061
  419   HH21  ARG  64          1HH2      ARG  64  11.897  -0.053  -5.981
  420   HH22  ARG  64          2HH2      ARG  64  10.192  -0.311  -5.738
  421    H    ARG  65           H        ARG  65  12.394   0.914   1.619
  422    HA   ARG  65           HA       ARG  65  13.235   3.590   2.302
  423    HE   ARG  65           HE       ARG  65  10.040   4.967   3.854
  424    HB2  ARG  65           2HB      ARG  65  11.203   1.770   3.604
  425    HB3  ARG  65           1HB      ARG  65  11.460   3.459   4.018
  426    HG2  ARG  65           2HG      ARG  65  10.864   4.044   1.664
  427    HG3  ARG  65           1HG      ARG  65  10.425   2.351   1.421
  428    HD2  ARG  65           2HD      ARG  65   8.473   3.732   1.947
  429    HD3  ARG  65           1HD      ARG  65   8.763   2.511   3.186
  430   HH11  ARG  65          1HH1      ARG  65   6.899   3.437   3.755
  431   HH12  ARG  65          2HH1      ARG  65   6.234   4.387   5.050
  432   HH21  ARG  65          1HH2      ARG  65   9.206   6.198   5.577
  433   HH22  ARG  65          2HH2      ARG  65   7.557   5.980   6.089
  434    H    TYR  66           H        TYR  66  13.180   0.436   3.928
  435    HA   TYR  66           HA       TYR  66  14.721   1.538   6.142
  436    HD1  TYR  66           HD1      TYR  66  13.229   1.143   8.614
  437    HD2  TYR  66           HD2      TYR  66  11.248  -0.503   5.227
  438    HE1  TYR  66           HE1      TYR  66  11.101   2.071   9.415
  439    HE2  TYR  66           HE2      TYR  66   9.113   0.432   6.016
  440    HH   TYR  66           HH       TYR  66   8.089   1.170   8.116
  441    HB2  TYR  66           2HB      TYR  66  13.481  -1.197   5.786
  442    HB3  TYR  66           1HB      TYR  66  14.272  -0.618   7.249
  Start of MODEL   19
    1    H1   GLY   7           1H       GLY   7 -19.452   3.303   7.891
    2    HA2  GLY   7           2HA      GLY   7 -18.775   3.112   5.042
    3    HA3  GLY   7           1HA      GLY   7 -19.293   4.570   5.882
    4    H    ALA   8           H        ALA   8 -16.626   2.303   5.473
    5    HA   ALA   8           HA       ALA   8 -14.795   4.107   6.859
    6    HB1  ALA   8           3HB      ALA   8 -13.168   2.296   6.623
    7    HB2  ALA   8           1HB      ALA   8 -14.321   1.381   5.653
    8    HB3  ALA   8           2HB      ALA   8 -14.668   1.716   7.349
    9    H    LYS   9           H        LYS   9 -12.491   4.042   5.665
   10    HA   LYS   9           HA       LYS   9 -12.897   4.675   2.831
   11    HB2  LYS   9           2HB      LYS   9 -11.371   6.285   4.869
   12    HB3  LYS   9           1HB      LYS   9 -11.127   6.472   3.143
   13    HG2  LYS   9           2HG      LYS   9 -13.442   7.176   2.879
   14    HG3  LYS   9           1HG      LYS   9 -13.716   6.935   4.608
   15    HD2  LYS   9           2HD      LYS   9 -13.331   9.251   4.317
   16    HD3  LYS   9           1HD      LYS   9 -11.855   8.587   5.013
   17    HE2  LYS   9           2HE      LYS   9 -11.017   9.946   3.362
   18    HE3  LYS   9           1HE      LYS   9 -11.093   8.401   2.514
   19    HZ1  LYS   9           3HZ      LYS   9 -11.971  10.280   1.223
   20    HZ2  LYS   9           1HZ      LYS   9 -13.185  10.506   2.380
   21    HZ3  LYS   9           2HZ      LYS   9 -13.134   9.077   1.468
   22    H    CYS  10           H        CYS  10 -11.229   4.108   1.517
   23    HA   CYS  10           HA       CYS  10  -9.736   1.855   2.341
   24    HB2  CYS  10           2HB      CYS  10 -10.618   2.357   0.046
   25    HB3  CYS  10           1HB      CYS  10  -9.349   3.558  -0.114
   26    H    GLY  11           H        GLY  11  -7.723   1.690   3.092
   27    HA2  GLY  11           2HA      GLY  11  -6.108   3.996   3.603
   28    HA3  GLY  11           1HA      GLY  11  -5.625   2.321   3.831
   29    H    ALA  12           H        ALA  12  -6.664   2.238   0.803
   30    HA   ALA  12           HA       ALA  12  -4.039   2.980  -0.320
   31    HB1  ALA  12           3HB      ALA  12  -4.611   0.591  -0.509
   32    HB2  ALA  12           1HB      ALA  12  -4.460   1.364  -2.087
   33    HB3  ALA  12           2HB      ALA  12  -6.056   1.020  -1.422
   34    H    CYS  13           H        CYS  13  -7.528   3.120  -0.842
   35    HA   CYS  13           HA       CYS  13  -7.218   5.124  -2.946
   36    HB2  CYS  13           2HB      CYS  13  -9.715   3.995  -1.649
   37    HB3  CYS  13           1HB      CYS  13  -9.687   5.083  -3.025
   38    H    GLU  14           H        GLU  14  -8.929   7.011  -2.626
   39    HA   GLU  14           HA       GLU  14  -9.144   7.738   0.222
   40    HB2  GLU  14           2HB      GLU  14  -9.980   9.934  -1.325
   41    HB3  GLU  14           1HB      GLU  14  -8.510   9.807  -0.371
   42    HG2  GLU  14           2HG      GLU  14  -7.791  10.450  -2.486
   43    HG3  GLU  14           1HG      GLU  14  -7.475   8.718  -2.409
   44    H    LYS  15           H        LYS  15 -10.563   5.994  -1.849
   45    HA   LYS  15           HA       LYS  15 -13.259   7.015  -1.913
   46    HB2  LYS  15           2HB      LYS  15 -12.290   4.224  -2.574
   47    HB3  LYS  15           1HB      LYS  15 -13.803   4.961  -3.070
   48    HG2  LYS  15           2HG      LYS  15 -11.042   5.706  -4.005
   49    HG3  LYS  15           1HG      LYS  15 -12.285   4.865  -4.928
   50    HD2  LYS  15           2HD      LYS  15 -13.729   6.895  -4.668
   51    HD3  LYS  15           1HD      LYS  15 -12.337   7.717  -3.959
   52    HE2  LYS  15           2HE      LYS  15 -12.551   6.578  -6.746
   53    HE3  LYS  15           1HE      LYS  15 -12.476   8.279  -6.298
   54    HZ1  LYS  15           3HZ      LYS  15 -10.313   6.261  -6.038
   55    HZ2  LYS  15           1HZ      LYS  15 -10.233   7.813  -5.354
   56    HZ3  LYS  15           2HZ      LYS  15 -10.335   7.625  -7.041
   57    H    THR  16           H        THR  16 -14.880   5.042  -1.306
   58    HA   THR  16           HA       THR  16 -14.479   4.742   1.570
   59    HB   THR  16           HB       THR  16 -16.964   3.906   1.260
   60    HG1  THR  16           HG1      THR  16 -17.901   4.511  -0.572
   61   HG21  THR  16          3HG2      THR  16 -16.316   5.865   2.565
   62   HG22  THR  16          1HG2      THR  16 -17.729   6.231   1.577
   63   HG23  THR  16          2HG2      THR  16 -16.137   6.807   1.084
   64    H    VAL  17           H        VAL  17 -14.522   2.826   2.623
   65    HA   VAL  17           HA       VAL  17 -14.469   0.378   0.992
   66    HB   VAL  17           HB       VAL  17 -13.185   1.028   3.639
   67   HG11  VAL  17          1HG1      VAL  17 -14.176  -1.178   3.884
   68   HG12  VAL  17          2HG1      VAL  17 -12.424  -1.313   3.738
   69   HG13  VAL  17          3HG1      VAL  17 -13.456  -1.688   2.359
   70   HG21  VAL  17          3HG2      VAL  17 -12.102   0.018   1.024
   71   HG22  VAL  17          1HG2      VAL  17 -11.150   0.299   2.484
   72   HG23  VAL  17          2HG2      VAL  17 -11.933   1.653   1.669
   73    H    TYR  18           H        TYR  18 -15.819  -1.294   1.463
   74    HA   TYR  18           HA       TYR  18 -17.685  -0.935   3.713
   75    HD1  TYR  18           HD1      TYR  18 -20.183   0.603   2.942
   76    HD2  TYR  18           HD2      TYR  18 -17.687  -0.143  -0.426
   77    HE1  TYR  18           HE1      TYR  18 -20.615   2.878   2.118
   78    HE2  TYR  18           HE2      TYR  18 -18.115   2.130  -1.253
   79    HH   TYR  18           HH       TYR  18 -19.774   4.507   0.682
   80    HB2  TYR  18           2HB      TYR  18 -18.450  -1.959   0.963
   81    HB3  TYR  18           1HB      TYR  18 -19.530  -1.682   2.322
   82    H    HIS  19           H        HIS  19 -18.797  -3.083   4.211
   83    HA   HIS  19           HA       HIS  19 -16.887  -5.113   4.553
   84    HD1  HIS  19           HD1      HIS  19 -20.751  -7.445   4.164
   85    HD2  HIS  19           HD2      HIS  19 -20.955  -3.330   4.788
   86    HE1  HIS  19           HE1      HIS  19 -23.080  -6.768   3.502
   87    HE2  HIS  19           HE2      HIS  19 -23.198  -4.282   3.920
   88    HB2  HIS  19           2HB      HIS  19 -18.717  -6.541   5.324
   89    HB3  HIS  19           1HB      HIS  19 -18.843  -4.931   6.017
   90    H    ALA  20           H        ALA  20 -18.657  -4.254   1.824
   91    HA   ALA  20           HA       ALA  20 -18.968  -6.578   0.369
   92    HB1  ALA  20           3HB      ALA  20 -18.001  -3.903  -0.633
   93    HB2  ALA  20           1HB      ALA  20 -19.688  -4.362  -0.396
   94    HB3  ALA  20           2HB      ALA  20 -18.711  -5.185  -1.615
   95    H    GLU  21           H        GLU  21 -16.029  -4.561   0.666
   96    HA   GLU  21           HA       GLU  21 -14.459  -6.920   0.011
   97    HB2  GLU  21           2HB      GLU  21 -13.132  -5.802  -1.671
   98    HB3  GLU  21           1HB      GLU  21 -14.817  -5.814  -2.153
   99    HG2  GLU  21           2HG      GLU  21 -14.995  -3.447  -1.468
  100    HG3  GLU  21           1HG      GLU  21 -13.288  -3.475  -1.025
  101    H    GLU  22           H        GLU  22 -14.733  -5.814   2.489
  102    HA   GLU  22           HA       GLU  22 -12.495  -4.042   2.971
  103    HB2  GLU  22           2HB      GLU  22 -14.497  -3.709   4.296
  104    HB3  GLU  22           1HB      GLU  22 -14.439  -5.374   4.866
  105    HG2  GLU  22           2HG      GLU  22 -12.199  -4.826   5.884
  106    HG3  GLU  22           1HG      GLU  22 -12.537  -3.135   5.508
  107    H    ILE  23           H        ILE  23 -10.495  -4.797   3.123
  108    HA   ILE  23           HA       ILE  23 -10.124  -7.357   4.523
  109    HB   ILE  23           HB       ILE  23  -9.092  -6.918   2.135
  110   HG12  ILE  23          2HG1      ILE  23  -7.369  -8.086   4.326
  111   HG13  ILE  23          1HG1      ILE  23  -8.760  -8.909   3.630
  112   HG21  ILE  23          1HG2      ILE  23  -7.111  -5.555   3.932
  113   HG22  ILE  23          2HG2      ILE  23  -7.943  -4.887   2.527
  114   HG23  ILE  23          3HG2      ILE  23  -6.729  -6.148   2.315
  115   HD11  ILE  23          3HD1      ILE  23  -6.702  -9.714   2.653
  116   HD12  ILE  23          1HD1      ILE  23  -6.274  -8.078   2.155
  117   HD13  ILE  23          2HD1      ILE  23  -7.674  -8.880   1.441
  118    H    GLN  24           H        GLN  24  -8.903  -7.383   6.391
  119    HA   GLN  24           HA       GLN  24  -8.471  -4.692   7.497
  120    HB2  GLN  24           2HB      GLN  24  -8.914  -7.247   9.038
  121    HB3  GLN  24           1HB      GLN  24  -8.939  -5.605   9.667
  122    HG2  GLN  24           2HG      GLN  24 -10.932  -5.142   8.282
  123    HG3  GLN  24           1HG      GLN  24 -10.930  -6.826   7.763
  124   HE21  GLN  24          1HE2      GLN  24 -13.020  -5.434   9.130
  125   HE22  GLN  24          2HE2      GLN  24 -13.262  -6.234  10.654
  126    H    CYS  25           H        CYS  25  -6.385  -4.205   7.234
  127    HA   CYS  25           HA       CYS  25  -4.416  -6.179   8.207
  128    HG   CYS  25           HG       CYS  25  -1.898  -6.152   7.720
  129    HB2  CYS  25           2HB      CYS  25  -4.252  -5.697   5.748
  130    HB3  CYS  25           1HB      CYS  25  -3.914  -4.018   6.142
  131    H    ASN  26           H        ASN  26  -3.277  -5.576   9.916
  132    HA   ASN  26           HA       ASN  26  -2.318  -4.335  11.554
  133    HB2  ASN  26           2HB      ASN  26  -1.158  -2.869  10.222
  134    HB3  ASN  26           1HB      ASN  26  -2.610  -2.277   9.425
  135   HD21  ASN  26          1HD2      ASN  26  -0.706  -2.100  12.361
  136   HD22  ASN  26          2HD2      ASN  26  -1.259  -0.537  12.845
  137    H    GLY  27           H        GLY  27  -5.344  -3.107  10.282
  138    HA2  GLY  27           2HA      GLY  27  -7.011  -3.099  12.310
  139    HA3  GLY  27           1HA      GLY  27  -5.942  -1.797  12.830
  140    H    ARG  28           H        ARG  28  -5.675  -1.453   9.729
  141    HA   ARG  28           HA       ARG  28  -7.901   0.433   9.497
  142    HE   ARG  28           HE       ARG  28  -5.313   3.895   8.364
  143    HB2  ARG  28           2HB      ARG  28  -5.577   1.249   9.146
  144    HB3  ARG  28           1HB      ARG  28  -5.406   0.121   7.810
  145    HG2  ARG  28           2HG      ARG  28  -7.241   1.286   6.639
  146    HG3  ARG  28           1HG      ARG  28  -7.296   2.458   7.956
  147    HD2  ARG  28           2HD      ARG  28  -4.869   1.888   6.259
  148    HD3  ARG  28           1HD      ARG  28  -5.985   3.223   5.985
  149   HH11  ARG  28          1HH1      ARG  28  -3.156   2.208   6.172
  150   HH12  ARG  28          2HH1      ARG  28  -1.722   2.941   6.819
  151   HH21  ARG  28          1HH2      ARG  28  -3.449   4.868   9.202
  152   HH22  ARG  28          2HH2      ARG  28  -1.895   4.494   8.512
  153    H    SER  29           H        SER  29  -9.381   0.306   7.831
  154    HA   SER  29           HA       SER  29  -9.646  -2.270   6.544
  155    HG   SER  29           HG       SER  29 -12.693  -1.761   7.522
  156    HB2  SER  29           2HB      SER  29 -11.387   0.204   6.479
  157    HB3  SER  29           1HB      SER  29 -11.789  -1.310   5.674
  158    H    PHE  30           H        PHE  30  -9.059  -2.756   4.545
  159    HA   PHE  30           HA       PHE  30  -8.582  -0.571   2.613
  160    HD1  PHE  30           HD2      PHE  30  -5.705   0.101   2.265
  161    HD2  PHE  30           HD1      PHE  30  -6.258  -3.121   4.984
  162    HE1  PHE  30           HE2      PHE  30  -4.012   1.080   3.762
  163    HE2  PHE  30           HE1      PHE  30  -4.570  -2.150   6.488
  164    HZ   PHE  30           HZ       PHE  30  -3.404  -0.067   5.847
  165    HB2  PHE  30           2HB      PHE  30  -7.144  -3.234   2.773
  166    HB3  PHE  30           1HB      PHE  30  -6.840  -1.967   1.592
  167    H    HIS  31           H        HIS  31  -8.913  -1.300   0.320
  168    HA   HIS  31           HA       HIS  31 -11.141  -3.104   0.049
  169    HD2  HIS  31           HD2      HIS  31 -12.980  -1.696  -0.372
  170    HE1  HIS  31           HE1      HIS  31 -12.285   1.993  -2.300
  171    HE2  HIS  31           HE2      HIS  31 -13.870   0.699  -0.832
  172    HB2  HIS  31           2HB      HIS  31  -9.416  -1.704  -2.002
  173    HB3  HIS  31           1HB      HIS  31 -10.703  -2.817  -2.444
  174    H    LYS  32           H        LYS  32 -11.135  -5.156  -0.734
  175    HA   LYS  32           HA       LYS  32  -8.918  -6.810  -0.328
  176    HB2  LYS  32           2HB      LYS  32 -11.383  -7.455  -0.467
  177    HB3  LYS  32           1HB      LYS  32 -11.196  -7.410  -2.214
  178    HG2  LYS  32           2HG      LYS  32  -9.338  -9.101  -1.938
  179    HG3  LYS  32           1HG      LYS  32  -9.863  -9.263  -0.259
  180    HD2  LYS  32           2HD      LYS  32 -11.535  -9.780  -2.718
  181    HD3  LYS  32           1HD      LYS  32 -10.871 -10.993  -1.625
  182    HE2  LYS  32           2HE      LYS  32 -12.794  -8.848  -0.761
  183    HE3  LYS  32           1HE      LYS  32 -13.297 -10.453  -1.282
  184    HZ1  LYS  32           3HZ      LYS  32 -13.135 -10.248   1.139
  185    HZ2  LYS  32           1HZ      LYS  32 -11.480  -9.904   1.010
  186    HZ3  LYS  32           2HZ      LYS  32 -12.067 -11.422   0.534
  187    H    THR  33           H        THR  33  -9.995  -4.978  -3.049
  188    HA   THR  33           HA       THR  33  -8.268  -6.169  -4.995
  189    HB   THR  33           HB       THR  33  -9.427  -3.401  -5.199
  190    HG1  THR  33           HG1      THR  33 -11.321  -4.288  -4.820
  191   HG21  THR  33          3HG2      THR  33  -9.041  -5.621  -7.216
  192   HG22  THR  33          1HG2      THR  33  -8.006  -4.203  -7.030
  193   HG23  THR  33          2HG2      THR  33  -9.676  -4.012  -7.559
  194    H    CYS  34           H        CYS  34  -7.942  -3.771  -2.540
  195    HA   CYS  34           HA       CYS  34  -5.656  -2.504  -3.848
  196    HB2  CYS  34           2HB      CYS  34  -7.281  -1.653  -1.443
  197    HB3  CYS  34           1HB      CYS  34  -5.949  -0.735  -2.142
  198    H    PHE  35           H        PHE  35  -6.062  -5.063  -1.881
  199    HA   PHE  35           HA       PHE  35  -4.075  -4.488   0.106
  200    HD1  PHE  35           HD2      PHE  35  -4.719  -5.575   2.596
  201    HD2  PHE  35           HD1      PHE  35  -3.326  -8.559  -0.103
  202    HE1  PHE  35           HE2      PHE  35  -3.308  -6.519   4.372
  203    HE2  PHE  35           HE1      PHE  35  -1.920  -9.509   1.676
  204    HZ   PHE  35           HZ       PHE  35  -1.938  -8.454   3.950
  205    HB2  PHE  35           2HB      PHE  35  -5.923  -6.146   0.453
  206    HB3  PHE  35           1HB      PHE  35  -5.134  -7.201  -0.716
  207    H    HIS  36           H        HIS  36  -2.432  -3.733  -1.320
  208    HA   HIS  36           HA       HIS  36  -0.500  -5.747  -1.818
  209    HD1  HIS  36           HD1      HIS  36  -3.754  -5.083  -4.724
  210    HD2  HIS  36           HD2      HIS  36  -0.537  -2.466  -4.903
  211    HE1  HIS  36           HE1      HIS  36  -4.568  -3.113  -6.036
  212    HE2  HIS  36           HE2      HIS  36  -2.528  -1.672  -6.361
  213    HB2  HIS  36           2HB      HIS  36  -0.143  -5.239  -4.234
  214    HB3  HIS  36           1HB      HIS  36  -1.631  -6.108  -3.896
  215    H    CYS  37           H        CYS  37   1.434  -4.513  -3.170
  216    HA   CYS  37           HA       CYS  37   2.465  -2.876  -1.174
  217    HB2  CYS  37           2HB      CYS  37   3.775  -4.138  -2.904
  218    HB3  CYS  37           1HB      CYS  37   3.351  -2.884  -4.064
  219    H    MET  38           H        MET  38   2.189  -0.843  -0.654
  220    HA   MET  38           HA       MET  38   0.471   0.853  -2.186
  221    HB2  MET  38           2HB      MET  38   2.146   1.484   0.249
  222    HB3  MET  38           1HB      MET  38   0.884   2.511  -0.419
  223    HG2  MET  38           2HG      MET  38   0.494  -0.252   0.708
  224    HG3  MET  38           1HG      MET  38   0.105   1.264   1.523
  225    HE1  MET  38           3HE      MET  38  -3.362  -0.441   0.584
  226    HE2  MET  38           1HE      MET  38  -2.366   0.141   1.916
  227    HE3  MET  38           2HE      MET  38  -1.857  -1.268   0.989
  228    H    ALA  39           H        ALA  39   3.726   0.143  -2.438
  229    HA   ALA  39           HA       ALA  39   4.426   2.811  -3.421
  230    HB1  ALA  39           3HB      ALA  39   6.214   0.440  -2.930
  231    HB2  ALA  39           1HB      ALA  39   5.943   1.772  -1.806
  232    HB3  ALA  39           2HB      ALA  39   6.732   2.071  -3.354
  233    H    CYS  40           H        CYS  40   5.412  -0.444  -4.520
  234    HA   CYS  40           HA       CYS  40   5.444   0.569  -7.239
  235    HB2  CYS  40           2HB      CYS  40   6.560  -1.499  -7.829
  236    HB3  CYS  40           1HB      CYS  40   7.310  -0.832  -6.382
  237    H    ARG  41           H        ARG  41   3.239  -0.892  -5.251
  238    HA   ARG  41           HA       ARG  41   1.179  -1.730  -5.538
  239    HE   ARG  41           HE       ARG  41  -0.224   2.446  -5.809
  240    HB2  ARG  41           2HB      ARG  41   1.615  -0.937  -8.416
  241    HB3  ARG  41           1HB      ARG  41   0.094  -1.565  -7.790
  242    HG2  ARG  41           2HG      ARG  41   1.482   0.955  -6.890
  243    HG3  ARG  41           1HG      ARG  41   0.038   0.853  -7.901
  244    HD2  ARG  41           2HD      ARG  41  -1.229  -0.106  -6.111
  245    HD3  ARG  41           1HD      ARG  41   0.213  -0.274  -5.115
  246   HH11  ARG  41          1HH1      ARG  41  -1.320  -0.093  -3.670
  247   HH12  ARG  41          2HH1      ARG  41  -1.915   0.991  -2.460
  248   HH21  ARG  41          1HH2      ARG  41  -0.995   3.893  -4.222
  249   HH22  ARG  41          2HH2      ARG  41  -1.752   3.273  -2.788
  250    H    LYS  42           H        LYS  42   3.735  -3.281  -5.989
  251    HA   LYS  42           HA       LYS  42   3.242  -5.600  -7.453
  252    HB2  LYS  42           2HB      LYS  42   5.356  -5.112  -6.292
  253    HB3  LYS  42           1HB      LYS  42   4.554  -5.276  -4.741
  254    HG2  LYS  42           2HG      LYS  42   5.696  -7.277  -5.002
  255    HG3  LYS  42           1HG      LYS  42   4.042  -7.677  -5.466
  256    HD2  LYS  42           2HD      LYS  42   4.607  -7.561  -7.796
  257    HD3  LYS  42           1HD      LYS  42   6.220  -6.950  -7.419
  258    HE2  LYS  42           2HE      LYS  42   6.619  -9.095  -6.166
  259    HE3  LYS  42           1HE      LYS  42   5.104  -9.685  -6.844
  260    HZ1  LYS  42           3HZ      LYS  42   7.419  -8.755  -8.446
  261    HZ2  LYS  42           1HZ      LYS  42   5.989  -9.451  -9.042
  262    HZ3  LYS  42           2HZ      LYS  42   7.065 -10.379  -8.112
  263    H    ALA  43           H        ALA  43   1.950  -7.392  -7.100
  264    HA   ALA  43           HA       ALA  43  -0.158  -7.161  -5.161
  265    HB1  ALA  43           3HB      ALA  43  -0.548  -8.178  -7.366
  266    HB2  ALA  43           1HB      ALA  43  -0.953  -9.285  -6.056
  267    HB3  ALA  43           2HB      ALA  43   0.553  -9.490  -6.950
  268    H    LEU  44           H        LEU  44  -0.101  -7.867  -3.133
  269    HA   LEU  44           HA       LEU  44   2.226  -9.405  -2.257
  270    HG   LEU  44           HG       LEU  44   2.474  -6.798   0.282
  271    HB2  LEU  44           2HB      LEU  44   0.443  -7.411  -0.991
  272    HB3  LEU  44           1HB      LEU  44   1.021  -8.699   0.048
  273   HD11  LEU  44          1HD1      LEU  44   3.793  -8.937  -1.387
  274   HD12  LEU  44          2HD1      LEU  44   3.532  -8.991   0.356
  275   HD13  LEU  44          3HD1      LEU  44   4.620  -7.789  -0.336
  276   HD21  LEU  44          3HD2      LEU  44   2.075  -5.632  -1.752
  277   HD22  LEU  44          1HD2      LEU  44   2.766  -6.941  -2.708
  278   HD23  LEU  44          2HD2      LEU  44   3.799  -5.981  -1.648
  279    H    ASP  45           H        ASP  45   2.070 -11.262  -1.109
  280    HA   ASP  45           HA       ASP  45  -0.453 -12.699  -1.206
  281    HB2  ASP  45           2HB      ASP  45   2.170 -13.666  -0.041
  282    HB3  ASP  45           1HB      ASP  45   0.797 -14.644  -0.543
  283    H    SER  46           H        SER  46  -0.717 -14.108   0.968
  284    HA   SER  46           HA       SER  46  -1.334 -12.202   2.986
  285    HG   SER  46           HG       SER  46  -2.521 -14.909   1.555
  286    HB2  SER  46           2HB      SER  46  -1.238 -15.204   3.305
  287    HB3  SER  46           1HB      SER  46  -2.204 -14.053   4.229
  288    H    THR  47           H        THR  47   1.404 -14.236   2.341
  289    HA   THR  47           HA       THR  47   2.429 -13.852   5.056
  290    HB   THR  47           HB       THR  47   2.361 -16.157   4.215
  291    HG1  THR  47           HG1      THR  47   4.510 -14.914   5.240
  292   HG21  THR  47          3HG2      THR  47   3.887 -16.876   2.438
  293   HG22  THR  47          1HG2      THR  47   4.336 -15.195   2.148
  294   HG23  THR  47          2HG2      THR  47   2.685 -15.733   1.839
  295    H    THR  48           H        THR  48   2.922 -12.655   1.859
  296    HA   THR  48           HA       THR  48   5.747 -12.132   2.346
  297    HB   THR  48           HB       THR  48   5.707 -11.278  -0.037
  298    HG1  THR  48           HG1      THR  48   3.692 -12.433  -1.069
  299   HG21  THR  48          3HG2      THR  48   6.506 -13.522   0.527
  300   HG22  THR  48          1HG2      THR  48   5.644 -13.530  -1.012
  301   HG23  THR  48          2HG2      THR  48   4.856 -14.137   0.445
  302    H    VAL  49           H        VAL  49   2.822 -10.445   2.737
  303    HA   VAL  49           HA       VAL  49   3.751  -7.856   2.012
  304    HB   VAL  49           HB       VAL  49   1.424  -8.024   2.024
  305   HG11  VAL  49          1HG1      VAL  49   0.086  -8.733   3.967
  306   HG12  VAL  49          2HG1      VAL  49   1.571  -9.054   4.865
  307   HG13  VAL  49          3HG1      VAL  49   1.183 -10.008   3.434
  308   HG21  VAL  49          3HG2      VAL  49   0.674  -6.383   3.682
  309   HG22  VAL  49          1HG2      VAL  49   2.188  -5.914   2.910
  310   HG23  VAL  49          2HG2      VAL  49   2.200  -6.575   4.545
  311    H    ALA  50           H        ALA  50   4.925  -6.432   3.070
  312    HA   ALA  50           HA       ALA  50   5.619  -7.002   5.866
  313    HB1  ALA  50           3HB      ALA  50   7.526  -5.513   5.515
  314    HB2  ALA  50           1HB      ALA  50   6.974  -5.186   3.872
  315    HB3  ALA  50           2HB      ALA  50   7.510  -6.807   4.318
  316    H    ALA  51           H        ALA  51   4.227  -6.023   7.179
  317    HA   ALA  51           HA       ALA  51   3.254  -3.352   6.517
  318    HB1  ALA  51           3HB      ALA  51   1.554  -3.723   8.206
  319    HB2  ALA  51           1HB      ALA  51   2.302  -5.257   8.651
  320    HB3  ALA  51           2HB      ALA  51   1.575  -5.060   7.056
  321    H    HIS  52           H        HIS  52   4.468  -1.769   7.260
  322    HA   HIS  52           HA       HIS  52   5.787  -2.026   9.865
  323    HD1  HIS  52           HD1      HIS  52   8.968  -1.101   9.695
  324    HD2  HIS  52           HD2      HIS  52   6.323   2.113   9.829
  325    HE1  HIS  52           HE1      HIS  52  10.006   0.573  11.264
  326    HE2  HIS  52           HE2      HIS  52   8.335   2.458  11.426
  327    HB2  HIS  52           2HB      HIS  52   7.138  -1.229   7.934
  328    HB3  HIS  52           1HB      HIS  52   6.055   0.148   7.771
  329    H    GLU  53           H        GLU  53   3.995  -1.810  11.188
  330    HA   GLU  53           HA       GLU  53   2.459  -0.764  12.461
  331    HB2  GLU  53           2HB      GLU  53   3.742   1.802  11.510
  332    HB3  GLU  53           1HB      GLU  53   2.801   1.573  12.979
  333    HG2  GLU  53           2HG      GLU  53   4.520   0.099  13.869
  334    HG3  GLU  53           1HG      GLU  53   5.454   0.275  12.386
  335    H    SER  54           H        SER  54   2.412   2.085  10.488
  336    HA   SER  54           HA       SER  54  -0.355   1.522   9.798
  337    HG   SER  54           HG       SER  54   1.742   4.755   9.031
  338    HB2  SER  54           2HB      SER  54  -0.207   3.971   9.011
  339    HB3  SER  54           1HB      SER  54  -0.063   3.664  10.741
  340    H    GLU  55           H        GLU  55   2.514   0.867   8.395
  341    HA   GLU  55           HA       GLU  55   1.639   1.566   5.671
  342    HB2  GLU  55           2HB      GLU  55   4.422   1.037   6.726
  343    HB3  GLU  55           1HB      GLU  55   4.023   1.431   5.059
  344    HG2  GLU  55           2HG      GLU  55   3.233   3.614   5.730
  345    HG3  GLU  55           1HG      GLU  55   3.519   3.216   7.424
  346    H    ILE  56           H        ILE  56   1.991   0.056   3.977
  347    HA   ILE  56           HA       ILE  56   2.824  -2.647   4.647
  348    HB   ILE  56           HB       ILE  56   0.683  -3.337   4.836
  349   HG12  ILE  56          2HG1      ILE  56   0.766  -2.931   1.842
  350   HG13  ILE  56          1HG1      ILE  56   1.341  -4.346   2.718
  351   HG21  ILE  56          1HG2      ILE  56  -0.208  -0.949   3.240
  352   HG22  ILE  56          2HG2      ILE  56  -0.224  -1.116   4.995
  353   HG23  ILE  56          3HG2      ILE  56  -1.280  -2.122   4.004
  354   HD11  ILE  56          3HD1      ILE  56  -0.921  -4.864   3.404
  355   HD12  ILE  56          1HD1      ILE  56  -0.822  -4.729   1.649
  356   HD13  ILE  56          2HD1      ILE  56  -1.518  -3.414   2.599
  357    H    TYR  57           H        TYR  57   4.169  -3.356   3.111
  358    HA   TYR  57           HA       TYR  57   3.773  -2.575   0.333
  359    HD1  TYR  57           HD2      TYR  57   4.633   0.229  -0.441
  360    HD2  TYR  57           HD1      TYR  57   5.936  -0.696   3.498
  361    HE1  TYR  57           HE2      TYR  57   4.101   2.517   0.261
  362    HE2  TYR  57           HE1      TYR  57   5.403   1.599   4.218
  363    HH   TYR  57           HH       TYR  57   3.688   3.819   2.133
  364    HB2  TYR  57           2HB      TYR  57   6.471  -2.150   1.644
  365    HB3  TYR  57           1HB      TYR  57   6.014  -1.736   0.001
  366    H    CYS  58           H        CYS  58   5.459  -3.652  -1.072
  367    HA   CYS  58           HA       CYS  58   5.927  -6.370  -0.264
  368    HB2  CYS  58           2HB      CYS  58   6.811  -6.699  -2.426
  369    HB3  CYS  58           1HB      CYS  58   5.573  -5.477  -2.672
  370    H    LYS  59           H        LYS  59   8.126  -7.272  -0.112
  371    HA   LYS  59           HA       LYS  59   9.592  -5.753   1.788
  372    HB2  LYS  59           2HB      LYS  59  10.210  -8.394   0.467
  373    HB3  LYS  59           1HB      LYS  59  11.123  -7.716   1.810
  374    HG2  LYS  59           2HG      LYS  59   9.174  -7.808   3.234
  375    HG3  LYS  59           1HG      LYS  59   8.182  -8.364   1.888
  376    HD2  LYS  59           2HD      LYS  59  10.582  -9.886   2.878
  377    HD3  LYS  59           1HD      LYS  59   8.966 -10.127   3.540
  378    HE2  LYS  59           2HE      LYS  59   9.308 -11.803   1.886
  379    HE3  LYS  59           1HE      LYS  59   8.186 -10.625   1.207
  380    HZ1  LYS  59           3HZ      LYS  59   9.958 -11.373  -0.341
  381    HZ2  LYS  59           1HZ      LYS  59  11.107 -10.636   0.662
  382    HZ3  LYS  59           2HZ      LYS  59   9.923  -9.695  -0.116
  383    H    VAL  60           H        VAL  60   9.647  -5.671  -1.543
  384    HA   VAL  60           HA       VAL  60  12.448  -5.084  -1.870
  385    HB   VAL  60           HB       VAL  60  10.141  -4.523  -3.752
  386   HG11  VAL  60          1HG1      VAL  60  13.124  -4.533  -4.222
  387   HG12  VAL  60          2HG1      VAL  60  12.059  -3.129  -4.255
  388   HG13  VAL  60          3HG1      VAL  60  11.897  -4.385  -5.481
  389   HG21  VAL  60          3HG2      VAL  60  10.355  -6.905  -3.293
  390   HG22  VAL  60          1HG2      VAL  60  12.076  -6.841  -3.673
  391   HG23  VAL  60          2HG2      VAL  60  10.883  -6.544  -4.936
  392    H    CYS  61           H        CYS  61   9.441  -3.163  -2.008
  393    HA   CYS  61           HA       CYS  61  10.814  -0.667  -2.017
  394    HB2  CYS  61           2HB      CYS  61   7.943  -1.242  -1.288
  395    HB3  CYS  61           1HB      CYS  61   8.619   0.339  -1.669
  396    H    TYR  62           H        TYR  62   9.472  -2.731   0.487
  397    HA   TYR  62           HA       TYR  62   9.745  -0.947   2.639
  398    HD1  TYR  62           HD2      TYR  62   7.746  -1.929   4.626
  399    HD2  TYR  62           HD1      TYR  62  11.535  -3.863   4.755
  400    HE1  TYR  62           HE2      TYR  62   7.792  -1.672   7.065
  401    HE2  TYR  62           HE1      TYR  62  11.586  -3.613   7.201
  402    HH   TYR  62           HH       TYR  62  10.614  -2.222   8.930
  403    HB2  TYR  62           2HB      TYR  62   8.576  -3.177   2.709
  404    HB3  TYR  62           1HB      TYR  62  10.162  -3.941   2.747
  405    H    GLY  63           H        GLY  63  12.011  -3.213   1.136
  406    HA2  GLY  63           2HA      GLY  63  14.178  -2.581   2.905
  407    HA3  GLY  63           1HA      GLY  63  14.282  -3.497   1.412
  408    H    ARG  64           H        ARG  64  12.835  -0.967   0.218
  409    HA   ARG  64           HA       ARG  64  15.314   0.456  -0.329
  410    HE   ARG  64           HE       ARG  64  14.691  -1.846  -4.536
  411    HB2  ARG  64           2HB      ARG  64  12.568   0.653  -1.569
  412    HB3  ARG  64           1HB      ARG  64  13.906   1.717  -2.002
  413    HG2  ARG  64           2HG      ARG  64  15.231  -0.225  -2.670
  414    HG3  ARG  64           1HG      ARG  64  13.891  -1.286  -2.247
  415    HD2  ARG  64           2HD      ARG  64  12.515  -0.264  -3.965
  416    HD3  ARG  64           1HD      ARG  64  13.815   0.862  -4.363
  417   HH11  ARG  64          1HH1      ARG  64  12.821   0.568  -6.270
  418   HH12  ARG  64          2HH1      ARG  64  13.211  -0.084  -7.838
  419   HH21  ARG  64          1HH2      ARG  64  15.159  -2.724  -6.581
  420   HH22  ARG  64          2HH2      ARG  64  14.535  -1.965  -8.015
  421    H    ARG  65           H        ARG  65  12.108   1.152   1.034
  422    HA   ARG  65           HA       ARG  65  12.766   3.882   1.619
  423    HE   ARG  65           HE       ARG  65   8.865   4.616   1.167
  424    HB2  ARG  65           2HB      ARG  65  10.444   3.265   1.246
  425    HB3  ARG  65           1HB      ARG  65  10.497   2.135   2.592
  426    HG2  ARG  65           2HG      ARG  65  10.813   3.976   4.152
  427    HG3  ARG  65           1HG      ARG  65  10.814   5.121   2.811
  428    HD2  ARG  65           2HD      ARG  65   8.508   3.301   3.489
  429    HD3  ARG  65           1HD      ARG  65   8.647   4.976   4.033
  430   HH11  ARG  65          1HH1      ARG  65   6.697   5.153   3.872
  431   HH12  ARG  65          2HH1      ARG  65   5.474   5.906   2.892
  432   HH21  ARG  65          1HH2      ARG  65   7.219   5.561  -0.118
  433   HH22  ARG  65          2HH2      ARG  65   5.748   6.092   0.636
  434    H    TYR  66           H        TYR  66  12.693   0.869   3.447
  435    HA   TYR  66           HA       TYR  66  13.989   2.266   5.694
  436    HD1  TYR  66           HD1      TYR  66  12.618   2.614   8.108
  437    HD2  TYR  66           HD2      TYR  66  10.152   0.822   5.140
  438    HE1  TYR  66           HE1      TYR  66  10.769   4.106   8.747
  439    HE2  TYR  66           HE2      TYR  66   8.304   2.313   5.764
  440    HH   TYR  66           HH       TYR  66   8.741   4.991   7.938
  441    HB2  TYR  66           2HB      TYR  66  12.204  -0.176   5.696
  442    HB3  TYR  66           1HB      TYR  66  13.129   0.356   7.097